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Sample records for 57fe moessbauer studies

  1. Copper(II) cyanido-bridged bimetallic nitroprusside-based complexes: Syntheses, X-ray structures, magnetic properties, {sup 57}Fe Moessbauer spectroscopy and thermal studies

    SciTech Connect

    Travnicek, Zdenek; Herchel, Radovan; Mikulik, Jiri; Zboril, Radek

    2010-05-15

    Three heterobimetallic cyanido-bridged copper(II) nitroprusside-based complexes of the compositions [Cu(tet)Fe(CN){sub 5}NO].H{sub 2}O (1), where tet=N,N'-bis(3-aminopropyl)ethylenediamine, [Cu(hto)Fe(CN){sub 5}NO].2H{sub 2}O (2), where hto=1,3,6,9,11,14-hexaazatricyclo[12.2.1.1{sup 6,9}]octadecane and [Cu(nme){sub 2}Fe(CN){sub 5}NO].H{sub 2}O (3), where nme=N-methylethylenediamine, were synthesized and characterized by elemental analyses, {sup 57}Fe Moessbauer and FTIR spectroscopies, thermal analysis, magnetic measurements and single-crystal X-ray analysis. The products of thermal degradation processes of 2 and 3 were studied by XRD, {sup 57}Fe Moessbauer spectroscopy, SEM and EDS, and they were identified as mixtures of CuFe{sub 2}O{sub 4} and CuO. - Three heterobimetallic cyano-bridged copper(II) nitroprusside-based complexes of the general compositions of [Cu(L)Fe(CN){sub 5}NO].xH{sub 2}O, where L=N,N'-bis(3-aminopropyl)ethylenediamine (complex 1), 1,3,6,9,11,14-hexaazatricyclo[12.2.1.1{sup 6,9}]-octadecane (complex 2) and N-methylethylenediamine (complex 3), were synthesized, and fully structurally and magnetically characterized. SEM, EDS, XRD and {sup 57}Fe Moessbauer experiments were used for characterization of thermal decomposition products of complexes 2 and 3.

  2. Constraints on the oxidation state of the mantle: An electrochemical and sup 57 Fe Moessbauer study of mantle-derived ilmenites

    SciTech Connect

    Virgo, D.; Luth, R.W. ); Moats, M.A.; Ulmer, G.C. )

    1988-07-01

    Ilmenite samples from four kimberlite localities were studied using electrochemical, Moessbauer spectroscopic, and microprobe analytical techniques in order to infer the oxidation state of their source regions in the mantle. The values of Fe{sup 3+}/{Sigma}Fe calculated from analyses, using three different electron microanalytical instruments assuming ilmenite stoichiometry, are consistently higher than those derived from the Moessbauer data, by as much as 100%. Furthermore, the range in Fe{sup 3+}/{Sigma}Fe calculated using the analyses from different instruments and/or different correction schemes is nearly as large. Thus Fe{sup 3+}/{Sigma}Fe calculated from microprobe analyses should be taken with caution, even if the precision appears high. {sup 57}Fe Moessbauer spectroscopy on the electrochemical experiment run products demonstrates that Fe{sup 3+}/{Sigma}Fe is significantly lower than it is for the natural C-bearing ilmenites. In contrast, the ilmenite that lacked C did not change Fe{sup 3+}/{Sigma}Fe during the electrochemical experiment. Examination of the reduced samples with SEM established that the natural, single-phase ilmenites exsolved during the electrochemical experiment to form ilmenite{sub ss} + spinel{sub ss}. The initial, reduced trends in the electrochemical experiments for the C-bearing ilmenites are attributed to disequilibrium interactions between the decomposing sample and the evolved gas in the electrochemical cell and do not represent the quenched mantle memory nor the intrinsic f{sub O{sub 2}} of the sample prior to reduction. Furthermore, the oxidized f{sub O{sub 2}} trend is interpreted, for the carbon-bearing samples, are representing the f{sub O{sub 2}} of the ilmenite{sub ss} + spinel{sub ss} assemblage and not the intrinsic f{sub o{sub 2}} of the mantle-derived ilemnite{sub ss}.

  3. {sup 57}Fe Moessbauer and x-ray magnetic circular dichroism study of magnetic compensation of the rare-earth sublattice in Nd{sub 2-x}Ho{sub x}Fe{sub 14}B compounds

    SciTech Connect

    Chaboy, J.; Piquer, C.; Plugaru, N.; Bartolome, F.; Laguna-Marco, M. A.

    2007-10-01

    We present here a study of the magnetic properties of the Nd{sub 2-x}Ho{sub x}Fe{sub 14}B series. The macroscopic properties of these compounds evolve continuously from those of Nd{sub 2}Fe{sub 14}B to those of Ho{sub 2}Fe{sub 14}B as Ho gradually replaces Nd. The system shows a compensation of the rare-earth sublattice magnetization for a critical concentration, x{sub c}=0.55, that is reflected into the anomalous behavior of both macroscopic and microscopic magnetic probes. The combined analysis of magnetization, {sup 57}Fe Moessbauer spectroscopy and Fe K-edge x-ray magnetic circular dichroism (XMCD) measurements suggests that the origin of the anomalous magnetic behavior found at x{sub c}=0.55 is mainly due to the Ho sublattice. Moreover, the analysis of the Fe K-edge XMCD signals reveal the presence of a rare-earth contribution, reflecting the coupling of the rare-earth and Fe magnetic moments, which can lead to the possibility of disentangling the magnetic behavior of both Fe and R atoms using a single absorption edge.

  4. 57Fe Moessbauer Study of Localization and Valence Sate of Iron Ions in Granular Nanocomposites (FeCoZr)x(Al2O3)100-x for Spintronic Applications

    SciTech Connect

    Saad, Anis; Fedotova, Julia; Kalinin, Jurii; Sitnikov, Alexander; Fedotov, Alexander; Rudov, Denis

    2005-04-26

    The influence of composition of the composite films, containing distributed fragmented components of amorphous metallic alloy CoFeZr and amorphous alumina with particles dimensions of 6-10 nm, on the Moessbauer spectra and hyperfine parameters was investigated. Moessbauer spectroscopy of the (Co0.45Fe0.45Zr0.10)X(Al2O3)1-X studied films with 30 at. % < X < 65 at. % has revealed that the structure of Fe ions coexisted in two valence states -- Fe2+ and Fe3+, the pronounced tendency for increasing Fe3+ fraction with the X increment, disappearance of the singlet connected with the Fe -- containing nanoparticles for the samples with X > 55 %, and lack of the ferromagnetic state in the metallic nanoparticles.

  5. Electronic state of {sup 57}Fe used as Moessbauer probe in the perovskites LaMO{sub 3} (M=Ni and Cu)

    SciTech Connect

    Presniakov, Igor; Demazeau, Gerard Baranov, Alexei; Sobolev, Alexei; Gubaidulina, Tatyana; Rusakov, Viyacheslav

    2007-11-15

    For the first time a comparative study of rhombohedral LaNiO{sub 3} and LaCuO{sub 3} oxides, using {sup 57}Fe Moessbauer probe spectroscopy (1% atomic rate), has been carried out. In spite of the fact that both oxides are characterized by similar crystal structure and metallic properties, the behavior of {sup 57}Fe probe atoms in such lattices appears essentially different. In the case of LaNi{sub 0.99}Fe{sub 0.01}O{sub 3}, the observed isomer shift ({delta}) value corresponds to Fe{sup 3+} (3d{sup 5}) cations in high-spin state located in an oxygen octahedral surrounding. In contrast, for the LaCu{sub 0.99}Fe{sub 0.01}O{sub 3}, the obtained {delta} value is comparable to that characterizing the formally tetravalent high-spin Fe{sup 4+}(3d{sup 4}) cations in octahedral coordination within Fe(IV) perovskite-like ferrates. To explain such a difference, an approach based on the qualitative energy diagrams analysis and the calculations within the cluster configuration interaction method have been developed. It was shown that in the case of LaNi{sub 0.99}Fe{sub 0.01}O{sub 3}, electronic state of nickel is dominated by the d{sup 7} configuration corresponding to the formal ionic 'Ni{sup 3+}-O{sup 2-}' state. On the other hand, in the case of LaCu{sub 0.99}Fe{sub 0.01}O{sub 3} a large amount of charge is transferred via Cu-O bonds from the O:2p bands to the Cu:3d orbitals and the ground state is dominated by the d{sup 9}L configuration ('Cu{sup 2+}-O' state). The dominant d{sup 9}L ground state for the (CuO{sub 6}) sublattice induces in the environment of the {sup 57}Fe probe cations a charge transfer Fe{sup 3+}+O{sup -}(L){yields}Fe{sup 4+}+O{sup 2-}, which transforms 'Fe{sup 3+}' into 'Fe{sup 4+}' state. The analysis of the isomer shift value for the formally 'Fe{sup 4+}' ions in perovskite-like oxides clearly proved a drastic influence of the 4s iron orbitals population on the Fe-O bonds character. - Graphical abstract: Moessbauer spectroscopy study of LaCuO{sub 3

  6. Moessbauer investigation of {sup 57}Fe doped La{sub 4}Ni{sub 3}O{sub 10{+-}}{sub y} phases

    SciTech Connect

    Carvalho, M.D.; Bassat, J.M.

    2009-01-15

    {sup 57}Fe doped La{sub 4}Ni{sub 2.97}Fe{sub 0.03}O{sub 9.95} was synthesized by a citrate method and, afterwards, successfully oxidized and reduced by electrochemical methods. The compounds obtained were investigated by X-ray diffraction, electrical measurements and Moessbauer spectroscopy. The study allowed to follow the variation of the two nickel sites environment with the oxygen stoichiometry and a deeper understanding of the electrical behavior versus oxygen non-stoichiometry was achieved. The Moessbauer study revealed that after both oxidation and reduction treatments, the major modifications were observed on the octahedra adjacent to the La{sub 2}O{sub 2} layers, while the middle octahedra of the triple perovskite block remained almost unchanged. The oxygen intercalation (oxidized treatment) takes place essentially in the La{sub 2}O{sub 2} layers and the oxygen desintercalation (reduction treatment) occurs in the octahedral sites adjacent to those layers. - Grapical abstract: Moessbauer spectra of oxidized and reduced Ruddlesden-Popper compounds La{sub 4}Ni{sub 2.97}Fe{sub 0.03}O{sub 10{+-}}{sub y}.

  7. Structure and oscillational motion of /sup 57/Fe atoms in interstitial sites in Al as determined from interference of Moessbauer. gamma. radiation

    SciTech Connect

    Pauling, L.

    1981-12-01

    The first excited site of the /sup 57/Fe atom entrapped in an interstitial site in aluminum, as reported by W. Petry, G. Vogl, and W. Mansel (Phys. Rev. Lett. 45, 1862 (1980)) from a Moessbauer spectroscopic study of a single crystal, is analyzed by consideration of the value of the Hooke's law constant of the Fe-Al bonds obtained from the values for elemental Fe and Al. The eight wavefunctions for the eightfold nearly degenerate excited state are described as 2s1p1d1f hybrids of three-dimensional harmonic oscillator wavefunctions relative to the center of the undistorted Al/sub 6/ octahedron or as localized 1s functions relative to the center of the distorted octahedron. These considerations provide a qualitative understanding of the observations on this system.

  8. Investigations of Iron Minerals Formed by Dissimilatory Alkaliphilic Bacterium with {sup 57}Fe Moessbauer Spectroscopy

    SciTech Connect

    Chistyakova, N. I.; Rusakov, V. S.; Shapkin, A. A.; Zhilina, T. N.; Zavarzina, D. G.; Kohout, J.

    2010-07-13

    Anaerobic alkaliphilic bacterium of Geoalkalibacter ferrihydriticus type (strain Z-0531), isolated from a bottom sediment sample from the weakly mineralized soda Lake Khadyn, have been analyzed. The strain uses the amorphous Fe(III)-hydroxide (AFH) as an electron acceptor and acetate CH{sub 3}COO{sup -} as an electron donor. Moessbauer investigations of solid phase samples obtained during the process of the bacterium growth were carried out at room temperature, 77.8 K, 4.2 K without and with the presence of an external magnetic field (6 T) applied perpendicular to the {gamma}-bebam.

  9. Assessment of the optimum degree of Sr{sub 3}Fe{sub 2}MoO{sub 9} electron-doping through oxygen removal: An X-ray powder diffraction and {sup 57}Fe Moessbauer spectroscopy study

    SciTech Connect

    Lopez, Carlos A.; Viola, Maria del C.; Pedregosa, Jose C.; Mercader, Roberto C.

    2010-10-15

    We describe the preparation and structural characterization by X-ray powder diffraction (XRPD) and Moessbauer spectroscopy of three electron-doped perovskites Sr{sub 3}Fe{sub 2}MoO{sub 9-{delta}} with Fe/Mo = 2 obtained from Sr{sub 3}Fe{sub 2}MoO{sub 9}. The compounds were synthesized by topotactic reduction with H{sub 2}/N{sub 2} (5/95) at 600, 700 and 800 {sup o}C. Above 800 {sup o}C the Fe/Mo ratio changes from Fe/Mo = 2-1 < Fe/Mo < 2. The structural refinements of the XRPD data for the reduced perovskites were carried out by the Rietveld profile analysis method. The crystal structure of these phases is cubic, space group Fm3-bar m, with cationic disorder at the two different B sites that can be populated in variable proportions by the Fe atoms. The Moessbauer spectra allowed determining the evolution of the different species formed after the treatments at different temperatures and confirm that Fe ions in the samples reduced at 600, 700 and 800 {sup o}C are only in the high-spin Fe{sup 3+} electronic state.

  10. Nuclear Bragg scattering studies in [sup 57]Fe with synchrotron radiation

    SciTech Connect

    Haustein, P.E.

    1993-01-01

    Studies of nuclear Bragg x-ray scattering of synchrotron radiation, using crystals of [alpha]-[sup 57]Fe[sub 2]O[sub 3], have been carried out at the NSLS at Brookhaven National Laboratory and at the Cornell University CHESS facility. These studies have demonstrated that nuclear resonance states can be used to produce filtered x-ray beams which have extremely narrow bandwidth, small angular divergence and unique polarization and temporal properties. this combination of characteristics, unobtainable with radioactive sources, makes synchrotron-based Moessbauer spectroscopy feasible and is an important complement to existing methods. A review of the experimental methodology is presented. As well as come suggestions for fuller exploitation of this new technique.

  11. Nuclear Bragg scattering studies in {sup 57}Fe with synchrotron radiation

    SciTech Connect

    Haustein, P.E.

    1993-03-01

    Studies of nuclear Bragg x-ray scattering of synchrotron radiation, using crystals of {alpha}-{sup 57}Fe{sub 2}O{sub 3}, have been carried out at the NSLS at Brookhaven National Laboratory and at the Cornell University CHESS facility. These studies have demonstrated that nuclear resonance states can be used to produce filtered x-ray beams which have extremely narrow bandwidth, small angular divergence and unique polarization and temporal properties. this combination of characteristics, unobtainable with radioactive sources, makes synchrotron-based Moessbauer spectroscopy feasible and is an important complement to existing methods. A review of the experimental methodology is presented. As well as come suggestions for fuller exploitation of this new technique.

  12. 57Fe quadrupole splitting and isomer shift in various oxyhemoglobins: study using Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Oshtrakh, M. I.; Berkovsky, A. L.; Kumar, A.; Kundu, S.; Vinogradov, A. V.; Konstantinova, T. S.; Semionkin, V. A.

    2010-04-01

    A comparative study of normal human, rabbit and pig oxyhemoglobins and oxyhemoglobin from patients with chronic myeloleukemia and multiple myeloma using Mössbauer spectroscopy with a high velocity resolution demonstrated small variations of the 57Fe quadrupole splitting and isomer shift. These variations may be a result of small structural differences in the heme iron stereochemistry of various hemoglobins.

  13. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    DOE PAGESBeta

    Ma, Xiaoming; Ran, Sheng; Pang, Hua; Li, Fashen; Canfield, Paul C.; Bud'ko, Sergey L.

    2015-08-01

    With the advent of Fe–As based superconductivity it has become important to study how superconductivity manifests itself in details of 57Fe Mössbauer spectroscopy of conventional, Fe-bearing superconductors. The iron-based superconductor Lu2Fe3Si5 has been studied by 57Fe Mössbauer spectroscopy over the temperature range from 4.4 K to room temperature with particular attention to the region close to the superconducting transition temperature (Tc=6.1 K). Consistent with the two crystallographic sites for Fe in this structure, the observed spectra appear to have a pattern consisting of two doublets over the whole temperature range. Furthermore, the value of Debye temperature was estimated from temperaturemore » dependence of the isomer shift and the total spectral area and compared with the specific heat capacity data. Neither abnormal behavior of the hyperfine parameters at or near Tc, nor phonon softening were observed.« less

  14. Quadrupolar interaction of ^57Fe in compounds RENi_2B_2C: Experimental and Theoretical Studies

    NASA Astrophysics Data System (ADS)

    Zeng, Zhi; Guenzburger, Diana; Sanchez, D. R. S.; Bud'Ko, S. L.; Fontes, Magda B.; Baggia-Saitovitch, E. M.; Ellis, D. E.

    1996-03-01

    ^57Fe Mössbauer spectra were taken with the RE(Ni_0.99^57Fe_0.01)_2B_2C (RE=Tb, Dy, Ho, Er) samples in a variable temperature helium crysostat to study the interplay between superconductivity and magnetism in the RENi_2B_2C (RE=Dy, Ho, Er, Tm) compounds. The rare earth dependent quadrupole splitting (QS) from ^57Fe Mössbauer spectra decreases with the lanthanide contraction^footnotetext^The lanthanide contraction causes an increase in the ratio c/a along the RE series. from QS=0.27mm/s for TbNi_2B_2C to QS=0.14mm/s for ErNi_2B_2C. Self-consistent frist-principles electronic structure calculation[1] were performed for clusters with 71 atoms (Fe-12RE-14Ni-32B-12C), which were embedded in the charge denisity of several shells of neighbours in the crystal, representing the doped compounds RE(Ni_0.93Fe_0.07)_2B_2C (RE=Gd, Tb, Dy, Ho, and Er). The quadrupole splitting was obtained with the nuclear quadrupole moment Q=0.16b of ^57Fe[2]. The calculated results are in good agreement with experiment. The theoretical results give negative signs for all the QS values; which have not been determined by experiment, except for the compounds with Tb and Ho, for which they are negative. REFERENCES D.E. Ellis, Int. J. Quant. Chem. Suppl. 2, 35(1968); D.E. Ellis and G.S. Painter, Phys. Rev. B, 2, 2887(1970). Ohilipp Dufek, Peter Blaha and K. Schwarz, Phys. Rev. Lett. 75, 3545(1995).

  15. DFT study of the hyperfine parameters and magnetic properties of ZnO doped with 57Fe

    NASA Astrophysics Data System (ADS)

    Abreu, Y.; Cruz, C. M.; Piñera, I.; Leyva, A.; Cabal, A. E.; Van Espen, P.

    2014-05-01

    Magnetic state of 57Fe implanted and doped ZnO samples have been reported and studied by Mössbauer spectroscopy at different temperatures. The Mössbauer spectra mainly showed four doublets and three sextets, but some ambiguous identification remains regarding the probe site location and influence of defects in the hyperfine and magnetic parameters. In the present work some possible implantation configurations are suggested and evaluated using Monte Carlo simulation and electronic structure calculations within the density functional theory. Various implantation environments were proposed and studied considering the presence of defects. The obtained 57Fe hyperfine parameters show a good agreement with the reported experimental values for some of these configurations. The possibility of Fe pair formation, as well as a Zn site vacancy stabilization between the second and third neighborhood of the implantation site, is supported.

  16. Magnetic anisotropy in FeSb studied by 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Komędera, K.; Jasek, A. K.; Błachowski, A.; Ruebenbauer, K.; Krztoń-Maziopa, A.

    2016-02-01

    The Fe1+xSb compound has been synthesized close to stoichiometry with x=0.023(8). The compound was investigated by 57Fe Mössbauer spectroscopy in the temperature range 4.2-300 K. The antiferromagnetic ordering temperature was found as 232 K i.e. much higher than for the less stoichiometric material. Regular iron was found to occupy two different positions in proportion 2:1. They differ by the electric quadrupole coupling constants and both of them exhibit extremely anisotropic electric field gradient tensor (EFG) with the asymmetry parameter η ≈ 1 . The negative component of both EFGs is aligned with the c-axis of the hexagonal unit cell, while the positive component is aligned with the <120> direction. Hence, a model describing deviation from the NiAs P63/mmc symmetry group within Fe-planes has been proposed. Spectra in the magnetically ordered state could be explained by introduction of the incommensurate spin spirals propagating through the iron atoms in the direction of the c-axis with a complex pattern of the hyperfine magnetic fields distributed within a-b plane. Hyperfine magnetic field pattern of spirals due to major regular iron is smoothed by the spin polarized itinerant electrons, while the minor regular iron exhibits hyperfine field pattern characteristic of the highly covalent bonds to the adjacent antimony atoms. The excess interstitial iron orders magnetically at the same temperature as the regular iron, and magnetic moments of these atoms are likely to form two-dimensional spin glass with moments lying in the a-b plane. The upturn of the hyperfine field for minor regular iron and interstitial iron is observed below 80 K. Magneto-elastic effects are smaller than for FeAs, however the recoilless fraction increases significantly upon transition to the magnetically ordered state.

  17. Mechanically-induced disorder in CaFe2As2: A 57Fe Mössbauer study

    DOE PAGESBeta

    Ma, Xiaoming; Ran, Sheng; Canfield, Paul C.; Bud'ko, Sergey L.

    2015-10-17

    57Fe Mössbauer spectroscopy was used to perform a microscopic study on the extremely pressure and strain sensitive compound, CaFe2As2, with different degrees of strain introduced by grinding and annealing. At the base temperature, in the antiferromagnetic/orthorhombic phase, compared to a sharp sextet Mössbauer spectrum of single crystal CaFe2As2, which is taken as an un-strained sample, an obviously broadened sextet and an extra doublet were observed for ground CaFe2As2 powders with different degrees of strain. The Mössbauer results suggest that the magnetic phase transition of CaFe2As2 can be inhomogeneously suppressed by the grinding induced strain to such an extent that themore » antiferromagnetic order in parts of the grains forming the powdered sample remain absent all the way down to 4.6 K. However, strain has almost no effect on the temperature dependent hyperfine magnetic field in the grains with magnetic order. Additional electronic and asymmetry information was obtained from the isomer shift and quadrupole splitting. Similar isomer shift values in the magnetic phase for samples with different degrees of strain, indicate that the stain does not bring any significant variation of the electronic density at 57Fe nucleus position. As a result, the absolute values of quadrupole shift in the magnetic phase decrease and approach zero with increasing degrees of strain, indicating that the strain reduces the average lattice asymmetry at Fe atom position.« less

  18. Magnetic Interactions on Single-Crystal EuFe2As2 Studied by 57Fe Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ikeda, Shugo; Yoshida, Kazuki; Kobayashi, Hisao

    2012-03-01

    Magnetic interactions on single-crystal AFe2As2 (A: Eu and Sr) were studied by 57Fe Mössbauer spectroscopy. An abrupt appearance of the effective magnetic hyperfine field (Beff) is observed at the spin density wave transition temperature (˜190 K for Eu and ˜200 K for Sr) in both samples. The value of Beff in EuFe2As2 shows a small but significant increase around the Néel temperature TNEu (=19 K) of the Eu2+ sublattice, while Beff in SrFe2As2 almost saturates at lower temperatures. Consistent with this, the isomer shift of EuFe2As2 indicates an anomalous temperature dependence below approximately TNEu. These results provide direct evidence of the coupling between the localized Eu2+ moments and the conduction electrons from the FeAs layers and suggest that this coupling may affect the observed superconductivity in EuFe2As2 under pressure.

  19. Mechanically - induced disorder in CaFe2As2: a 57Fe Mössbauer study

    NASA Astrophysics Data System (ADS)

    Ma, Xiaoming; Ran, Sheng; Canfield, Paul C.; Bud'Ko, Sergey L.

    57 Fe Mössbauer spectroscopy was used to study an extremely pressure and strain sensitive compound, CaFe2As2, with different degrees of strain introduced by grinding and annealing. At the base temperature, in the antiferromagnetic/orthorhombic phase, compared to a sharp sextet Mössbauer spectrum of single crystal CaFe2As2, which is taken as an un-strained sample, an obviously broadened sextet and an extra doublet were observed for ground CaFe2As2 powders with different degrees of strain. The Mössbauer results suggest that the magnetic phase transition of CaFe2As2 can be inhomogeneously suppressed by the grinding induced strain to such an extent that the antiferromagnetic order in parts of the grains forming the powdered sample remain absent all the way down to 4.6 K. However, strain has almost no effect on the temperature dependent hyperfine magnetic field in the grains with magnetic order. The quadrupole shift in the magnetic phase approachs zero with increasing degrees of strain, indicating that the strain reduces the average lattice asymmetry at Fe atom position. Supported by US DOE under the Contract No. DE-AC02-07CH11358 and by the China Scholarship Council.

  20. A study of thermodynamic properties of dilute Fe-Ru alloys by 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Idczak, R.; Konieczny, R.; Chojcan, J.

    2016-12-01

    The room temperature Mössbauer spectra of 57Fe were measured for Fe1- x Ru x solid solutions with x in the range 0.01 ≤ x ≤ 0.08. The obtained data were analysed in terms of short-range order parameter (SRO) and the binding energy E b between two ruthenium atoms in the studied materials using the extended Hrynkiewicz-Królas idea. The extrapolated value of E b for x = 0 was used to compute the enthalpy of solution H FeRu of Ru in Fe matrix. The result was compared with corresponding values given in the literature which were derived from experimental calorimetric data as well as with the value resulting from the cellular atomic model of alloys by Miedema. It was found that all the H FeRu values are negative or Ru atoms interact repulsively. At the same time, the Mössbauer data were used to determine values of the short-range order parameter α 1. For the as-obtained samples in which atoms are frozen-in high temperature state, close to the melting point, the negative α 1 values were found. The findings indicates ordering tendencies in such specimens. On the other hand, in the case of the annealed samples where the observed distributions of atoms should be frozen-in state corresponding to the temperature 700 K, the Fe1- x Ru x alloys with x ≥ 0.05 exhibit clustering tendencies (a predominance of Fe-Fe and Ru-Ru bonds), which manifest themselves by positive values of the calculated SRO parameter. The clustering process leads to a local increase in ruthenium concentration and nucleation of a new ruthenium-rich phase with the hcp structure.

  1. Study of 57 Fe Mössbauer effect in RFe2Zn20 ( R = Lu, Yb, Gd)

    DOE PAGESBeta

    Bud’ko, Sergey L.; Kong, Tai; Ma, Xiaoming; Canfield, Paul C.

    2015-08-04

    In this document we report measurements of 57Fe Mössbauer spectra for RFe2Zn20 (R = Lu, Yb, Gd) from ~ 4.5 K to room temperature. The obtained isomer shift values are very similar for all three compounds, their temperature dependence was analyzed within the Debye model and resulted in an estimate of the Debye temperatures of 450-500 K. The values of quadrupole splitting at room temperature change with the cubic lattice constant a in a linear fashion. For GdFe2Zn20, ferromagnetic order is seen as an appearance of a sextet in the spectra. The 57Fe site hyperfine field for T → 0more » was evaluated to be ~ 2.4 T.« less

  2. Mössbauer spectroscopic study of 57Fe metabolic transformations in the rhizobacterium Azospirillum brasilense Sp245

    NASA Astrophysics Data System (ADS)

    Kamnev, Alexander A.; Tugarova, Anna V.; Kovács, Krisztina; Biró, Borbála; Homonnay, Zoltán; Kuzmann, Ernő

    2014-04-01

    Preliminary 57Fe transmission Mössbauer spectroscopic data were obtained for the first time for live cells of the plant-growth-promoting rhizobacterium Azospirillum brasilense (wild-type strain Sp245) grown aerobically with 57FeIII-nitrilotriacetate (NTA) complex as a sole source of iron. The results obtained have shown that live cells actively reduce part of the assimilated iron(III) to iron(II), the latter amounting up to 33 % of total cellular iron after 18 h of growth, and 48 % after additional 3 days of storage of the dense wet cell suspension in nutrient-free saline solution in air at room temperature (measured at 80 K). The cellular iron(II) was found to be represented by two quadrupole doublets of different high-spin forms, while the parameters of the cellular iron(III) were close to those typical for bacterioferritins.

  3. Fe-57 Moessbauer study of tektites

    NASA Technical Reports Server (NTRS)

    Evans, B. J.; Leung, L. K.

    1976-01-01

    Moessbauer measurements were made on selected moldavite, australite, philippinite, and Georgia tektites. The spectra consist of two apparent lines, but at least two quadrupole doublets can be fitted to these spectra. The Moessbauer parameters for these doublets indicate that they arise from Fe2+ ions with local environments, which are relatively rich and relatively poor in calcium, respectively, similar to those in clinopyroxenes. No evidence for Fe3+/Fe2+ ratios above 0.01 (estimated detection limit) have been found in any tektite. Tektites are considerably more reduced than previously believed, and the extent of the reduction shows little or no variation among different types of tektites. These results limit the source materials of tektites to minerals in which the iron is uniformly highly reduced and in which the iron is contained clinopyroxene-like phases.

  4. Progressive oxidation of pyrite in five bituminous coal samples: An As XANES and 57Fe Mössbauer spectroscopic study

    USGS Publications Warehouse

    Kolker, Allan; Huggins, Frank E.

    2007-01-01

    Naturally occurring pyrite commonly contains minor substituted metals and metalloids (As, Se, Hg, Cu, Ni, etc.) that can be released to the environment as a result of its weathering. Arsenic, often the most abundant minor constituent in pyrite, is a sensitive monitor of progressive pyrite oxidation in coal. To test the effect of pyrite composition and environmental parameters on the rate and extent of pyrite oxidation in coal, splits of five bituminous coal samples having differing amounts of pyrite and extents of As substitution in the pyrite, were exposed to a range of simulated weathering conditions over a period of 17 months. Samples investigated include a Springfield coal from Indiana (whole coal pyritic S = 2.13 wt.%; As in pyrite = detection limit (d.l.) to 0.06 wt.%), two Pittsburgh coal samples from West Virginia (pyritic S = 1.32–1.58 wt.%; As in pyrite = d.l. to 0.34 wt.%), and two samples from the Warrior Basin, Alabama (pyritic S = 0.26–0.27 wt.%; As in pyrite = d.l. to 2.72 wt.%). Samples were collected from active mine faces, and expected differences in the concentration of As in pyrite were confirmed by electron microprobe analysis. Experimental weathering conditions in test chambers were maintained as follows: (1) dry Ar atmosphere; (2) dry O2 atmosphere; (3) room atmosphere (relative humidity ∼20–60%); and (4) room atmosphere with samples wetted periodically with double-distilled water. Sample splits were removed after one month, nine months, and 17 months to monitor the extent of As and Fe oxidation using As X-ray absorption near-edge structure (XANES) spectroscopy and 57Fe Mössbauer spectroscopy, respectively. Arsenic XANES spectroscopy shows progressive oxidation of pyritic As to arsenate, with wetted samples showing the most rapid oxidation. 57Fe Mössbauer spectroscopy also shows a much greater proportion of Fe3+ forms (jarosite, Fe3+ sulfate, FeOOH) for samples stored under wet conditions, but much less

  5. Moessbauer Study of Electrodeposited Fe/Fe-Oxide Multilayers

    SciTech Connect

    Kuzmann, E.; Homonnay, Z.; Klencsar, Z.; Vertes, A.; Lakatos-Varsanyi, M.; Miko, A.; Varga, L.K.; Kalman, E.; Nagy, F.

    2005-04-26

    Iron has been deposited electrochemically by short current pulses in Na-saccharin containing FeII-chloride and sulphate solution electrolytes. Combined electrochemical techniques with initial pulse plating of iron nanolayer and its subsequent anodic oxidation under potential control have been used for production of Fe/Fe-oxide multilayers. 57Fe CEM spectra of pulse plated iron revealed the presence of a minor doublet attributed mainly to {gamma}-FeOOH in addition to the dominant sextet of {alpha}-iron. In the case of anodically oxidized pulse plated iron and of samples after repeated deposition of anodically oxidized pulse plated iron an additional minor doublet, assigned to ferrous chloride, also appears in the Moessbauer spectra. A significant change in the magnetic anisotropy of {alpha}-iron was observed with the anodic oxidation. The thickness of the layers were estimated from the CEM spectrum data by a modified computer program of the Liljequist method. The coercive field and the power loss versus frequency data showed that the pulse plated iron cores are good inductive elements up to several kHz frequencies.

  6. 57Fe Mössbauer and electrical studies of the (NiO)-(Cr2O3) x-(Fe2O3)2-x system

    NASA Astrophysics Data System (ADS)

    Fayek, M. K.; Ata-Allah, S. S.

    2003-08-01

    From 57Fe Mössbauer measurements carried out on the spinel ferrite under study, the ratio of the integrated intensities of 57Fe A- and B-site subspectra can be evaluated. The composition of the ferrite has been established as (Fe3+)[Ni2+Cr3+xFe3+1-x] for 0.0 ≤ x ≤ 0.6. The composition dependence of the Mössbauer hyperfine parameters (center shift and quadrupole splitting) displays no features in this composition range that would result from a qualitative change in electronic structure. The ac conductivity measurements re-veal a semiconducting behavior with a transition in the conductivity versus temperature curve. The transi-tion temperature is found to decrease linearly with increasing Cr concentration x. The dielectric parameters (and loss (tan δ)) of the studied samples exhibit dipolar relaxation effects. The results of conductivity and dielectric parameters are explained in the light of hopping conduction at the octahedral B sites.

  7. Thermal decomposition and reconstruction of CaFe-layered double hydroxide studied by X-ray diffractometry and 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Bugris, Valéria; Ádok-Sipiczki, Mónika; Anitics, Tamás; Kuzmann, Ernő; Homonnay, Zoltán; Kukovecz, Ákos; Kónya, Zoltán; Sipos, Pál; Pálinkó, István

    2015-06-01

    In spite of numerous investigations on the various processes of the thermal decomposition and rehydration of layered double hydroxides (LDHs) by a variety sophisticated experimental means, many details are still unexplored and some contradictions are still unresolved. In this work, our efforts were focussed on clarifying the composition, structure and properties of thermally decomposed metaphases originating from CaFe-LDH, heat treated in the 373-973 K temperature range. The structure reconstruction ability of mixed metal oxide phases obtained after heat treatments was also investigated, mainly concentrating on the changes in the microenvironment of Fe(III), in the presence of controlled amount of water vapour (i.e., at different relative humidities). All samples were characterised by X-ray diffractometry, and the iron-containing phases were studied by 57Fe Mössbauer spectroscopy.

  8. The 57Fe hyperfine interactions in iron storage proteins in liver and spleen tissues from normal human and two patients with mantle cell lymphoma and acute myeloid leukemia: a Mössbauer effect study

    NASA Astrophysics Data System (ADS)

    Oshtrakh, M. I.; Alenkina, I. V.; Vinogradov, A. V.; Konstantinova, T. S.; Semionkin, V. A.

    2015-04-01

    Study of human spleen and liver tissues from healthy persons and two patients with mantle cell lymphoma and acute myeloid leukemia was carried out using Mössbauer spectroscopy with a high velocity resolution. Small variations in the 57Fe hyperfine parameters for normal and patient's tissues were detected and related to small variations in the 57Fe local microenvironment in ferrihydrite cores. The differences in the relative parts of more crystalline and more amorphous core regions were also supposed for iron storage proteins in normal and patients' spleen and liver tissues.

  9. Effects of time and temperature of firing on Fe-rich ceramics studied by Moessbauer spectroscopy and two-dimensional {sup 1}H-nuclear magnetic resonance relaxometry

    SciTech Connect

    Casieri, Cinzia; De Luca, Francesco; Nodari, Luca; Russo, Umberto; Terenzi, Camilla; Tudisca, Valentina

    2012-10-15

    The combined effects of firing temperature and soaking time on the microstructure of iron-rich porous ceramics have been studied by {sup 57}Fe-Moessbauer spectroscopy and 2D {sup 1}H nuclear magnetic resonance (NMR) relaxometry using a single-sided probe. Examining water-saturated ceramics using the relaxation correlation method, where longitudinal (T{sub 1}) and transverse (T{sub 2}) relaxation times are measured concurrently, provides information about firing-induced changes in both porosity (related to T{sub 1}) and magnetic properties (related to T{sub 2}). Comparing the information obtained from {sup 1}H-NMR analyses with that obtained from Moessbauer spectroscopy (which characterizes changes in iron-bearing species) shows that the T{sub 1}-T{sub 2} NMR correlation technique is very sensitive to even subtle modifications in the magnetic behavior of Fe-bearing species. Moreover, the single-sided NMR approach allows us to perform millimeter-scale depth-resolved measurements, which can be used to non-invasively study the microstructural heterogeneities associated with non-uniform firing effects inside ceramics. This is in contrast to Moessbauer spectroscopy, which requires that the ceramic samples be ground.

  10. Study of Vitamins and Dietary Supplements Containing Ferrous Fumarate and Ferrous Sulfate Using Moessbauer Spectroscopy

    SciTech Connect

    Oshtrakh, M. I.; Novikov, E. G.; Semionkin, V. A.; Dubiel, S. M.

    2010-07-13

    A study of several samples of vitamins and dietary supplements containing ferrous fumarate and ferrous sulfate was carried out using Moessbauer spectroscopy with a high velocity resolution. A presence of ferrous and ferric impurities was revealed. Small variations of Moessbauer hyperfine parameters were found for both ferrous fumarates and ferrous sulfates in the investigated medicines.

  11. Moessbauer studies of two-electron centers with negative correlation energy in crystalline and amorphous semiconductors

    SciTech Connect

    Bordovsky, G. A.; Nemov, S. A.; Marchenko, A. V.; Seregin, P. P.

    2012-01-15

    The results of the study of donor U{sup -}-centers of tin and germanium in lead chalcogenides by Moessbauer emission spectroscopy are discussed. The published data regarding the identification of amphoteric U{sup -}-centers of tin in glassy binary arsenic and germanium chalcogenides using Moessbauer emission spectroscopy, and in multicomponent chalcogenide glasses using Moessbauer absorption spectroscopy are considered. Published data concerning the identification of two-atom U{sup -}-centers of copper in lattices of semimetal copper oxides by Moessbauer emission spectroscopy are analyzed. The published data on the detection of spatial inhomogeneity of the Bose-Einstein condensate in superconducting semiconductors and semimetal compounds, and on the existence of the correlation between the electron density in lattice sites and the superconducting transition temperature are presented. The principal possibility of using Moessbauer U{sup -}-centers as a tool for studying the Bose-Einstein condensation of electron pairs during the superconducting phase transition in semiconductors and semimetals is considered.

  12. Moessbauer studies of Sr{sub 2}FeO{sub 4} to pressures of 20 GPa

    SciTech Connect

    Hearne, G.R. |; Pasternak, M.P.; Rozenberg, G.

    1995-09-01

    The transport and magnetic properties of the antiferromagnetic semiconductor Sr{sub 2}FeO{sub 4} (Fe{sup 4+}, d{sup 4}) were probed by resistance studies and {sup 57}Fe Moessbauer spectroscopy to 20 GPa using a diamond-anvil cell. The main conclusions of this work are that beyond the onset of the semiconductor-metal transition at {approx}17(1) GPa determined in the resistance studies: (1) the compound is still magnetic and, (2) there is no charge disproportionation of the form: 2Fe{sup 4+} {yields} Fe{sup 3+} + Fe{sup 5+}. The quadrupole splitting ({delta}E{sub Q}) at room temperature (RT) decreases from 0.42 mm/s at ambient pressure to a minimum of 2.2 mm/s at {approx}5.5 GPa. Beyond 5.5 GPa {delta}E{sub Q} at RT increases monotonically reaching 0.5 mm/s at 20 GPa. In the 0-10 GPa pressure range the Neel temperature T{sub N}, is pinned at 60-70 K reaching values of 135(5) K at 19 GPa where the compound is metallic. At 19 GPa and T {much_lt} T{sub N} a simplified magnetic spectrum having an internal magnetic field of {approx}25 T and a substantial quadrupole interaction is obtained.

  13. The Nature of Line Broadening in Thermally Detected 57Fe Fe NMR

    NASA Astrophysics Data System (ADS)

    Hutchison, W. D.; Stewart, G. A.; Harker, S. J.; Chaplin, D. H.

    2004-12-01

    57Fe Fe with isotopic concentrations from 15 to 95% is studied using NMR thermally detected by nuclear orientation. Lines are found to be consistently homogeneous. The contrast with previous inhomogeneous 57Fe Fe lines from Mössbauer detected NMR is explained by differences in radio frequency field strength.

  14. /sup 57/Fe Mossbauer spectroscopy of U/sub 6/Fe

    SciTech Connect

    Lemon, G.; Boolchand, P.; Stevens, M.; DeLong, L.E.; Huber, J.G.; Marcuso, M.

    1986-04-01

    Samples of U/sub 6/Fe were prepared by arc melting U and enriched /sup 57/Fe. The samples display superconducting transitions which are sensitive to long-term exposure to air. Room temperature spectra of U/sub 6/Fe typically display a majority site A (quadrupole splitting ..delta.. = 0.749(3) mm/s, isomer shift delta = 0.482(6) mm/s relative to Cu) and a minority site B (..delta.. = 0.55(3) mm/s, sigma = 0.12(3) mm/s) with the site intensity ratio (I/sub B//I/sub A/) typically 0.05 to 0.10. The I/sub B//I/sub A/ intensity ratio increases upon air exposure of the samples. We have studied Moessbauer spectra as a function of temperature T in the range 15/sup 0/K less than or equal to T less than or equal to 310/sup 0/K paying particular attention to the T-variation of the isomer-shift and recoil-free-fraction of the majority site A. Results indicate a consistent softening of lattice vibrations of U/sub 6/Fe at T approx. = 170/sup 0/K.

  15. SEM, optical, and Moessbauer studies of submicrometer chromite in Allende

    NASA Technical Reports Server (NTRS)

    Housley, R. M.

    1982-01-01

    New scanning electron and optical microscope results are presented showing that sub-micrometer chromite is abundant along healed cracks and grain boundaries in Allende chondrule olivine. Some wider healed cracks also contain pentlandite and euhedral Ni3Fe grains. Also reported are Moessbauer measurements on Allende HF-HCl residues confirming a high Fe(+++)/Fe(++) ratio.

  16. TEM and Moessbauer Study of Nano Sized Fe{sub 2}MnAl Flakes

    SciTech Connect

    Vinesh, A.; Sudheesh, V. D.; Lakshmi, N.; Venugopalan, K.

    2011-07-15

    Magnetic and structural properties of L21 ordered Fe{sub 2}MnAl Heusler alloy have been studied by X-ray diffraction, Transmission electron microscopy (TEM), Moessbauer spectroscopy and DC magnetization. Structural texturing induced by ball milling is destroyed on heating while Moessbauer and DC magnetization studies show magnetic texturing persists after thermal treatment. TEM shows large distribution in particle size with an average size of 27 nm. Thermal annealing of ball milled sample results L2{sub 1} ordering and the needle shaped particle contributes spin texturing.

  17. Microscopic studies of a SnO{sub 2}/{alpha}-Fe{sub 2}O{sub 3} architectural nanocomposite using Moessbauer spectroscopic and magnetic measurements

    SciTech Connect

    Hayashi, Naoaki Muranaka, Shigetoshi; Yamamoto, Shinpei; Takano, Mikio; Zhang Dongfeng; Sun Lingdong; Yan Chunhua

    2008-12-15

    A SnO{sub 2}/{alpha}-Fe{sub 2}O{sub 3} architectural nanocomposite, which was evidenced as SnO{sub 2} nanorod arrays assembled on the surface of {alpha}-Fe{sub 2}O{sub 3} nanotubes in our previous study, was investigated microscopically by means of Moessbauer spectroscopic and magnetic measurements. It was found for the SnO{sub 2} nanorods that Fe{sup 3+} ions substituted slightly to Sn{sub 0.998}Fe{sub 0.00}O{sub 2}. Concerning the {alpha}-Fe{sub 2}O{sub 3} tubes, the Morin transition, which was completely suppressed in the mother, SnO{sub 2}-free {alpha}-Fe{sub 2}O{sub 3} nanotubes, was found to be recovered locally. We speculate that it takes place in the interface area as a result of structural modification needed for the connection with the SnO{sub 2} nanorods. - Graphic abstract: {sup 57}Fe Moessbauer spectrum of SnO{sub 2}/{alpha}-Fe{sub 2}O{sub 3} architectural nanocomposite evidenced as SnO{sub 2} nanorod arrays assembled on the surface of {alpha}-Fe{sub 2}O{sub 3} nanotubes. (I: Fe-doped SnO{sub 2} nanorods, II: {alpha}-Fe{sub 2}O{sub 3} nanotubes) It was found for the SnO{sub 2} nanorods that Fe{sup 3+} ions substituted slightly to Sn{sub 0.998}Fe{sub 0.002}O{sub 2}.

  18. Mössbauer study of exogenous iron redistribution between the brain and the liver after administration of 57Fe3O4 ferrofluid in the ventricle of the rat brain

    NASA Astrophysics Data System (ADS)

    Polikarpov, Dmitry; Gabbasov, Raul; Cherepanov, Valery; Loginova, Natalia; Loseva, Elena; Nikitin, Maxim; Yurenia, Anton; Panchenko, Vladislav

    2015-04-01

    Iron clearance pathways after the injection of 57Fe3O4-based ferrofluid into the brain ventricles were studied histologically and by Mössbauer spectroscopy. It was found that the dextran coated initial nanobeads of the ferrofluid disintegrated in the brain into separate superparamagnetic nanoparticles within a week after the injection. The exogenous iron completely exited all ventricular cavities of the brain within a week after the injection but remained in the white matter for months. Kupffer cells with the exogenous iron appeared in the rat liver 2 hours after the injection. Their concentration reached its maximum on the third day and dropped to zero within a week. The exogenous iron appeared in the spleen a week after the injection and remained in the spleen for months.

  19. sup 14,15 N, sup 13 C, sup 57 Fe, and sup 1,2 H Q-band ENDOR study of Fe-S proteins with clusters that have endogenous sulfur ligands

    SciTech Connect

    Houseman, A.L.P.; Chaoliang Fan; Werst, M.M.; Hoffman, B.M. ); Byungha Oh; Markley, J.L. ); Kennedy, M.C.; Beinert, H. )

    1992-02-25

    The benefits of performing ENDOR experiments at higher microwave frequency are demonstrated in a Q-band (35 GHz) ENDOR investigation of a number of proteins with (nFe-mS) clusters, n = 2,3,4. Each protein displays several resonances in the frequency range of 0-20 MHz. In all instances, features are seen near {nu} {approx} 13 and 8 MHz that can be assigned, respectively, to distant ENDOR from {sup 13}C in natural-abundance (1.1%) and from {sup 14}N. In addition, a number of proteins show local {sup 13}C ENDOR signals with resolved hyperfine interactions; these are assigned to the {beta} carbons of cysteines bound to the cluster. Quadrupole coupling constants are derived for both local and distant {sup 14}N signals. The interpretation of the data is supported by studies on {sup 15}N- and {sup 13}C-enriched ferredoxin (Fd) from Anabaena 7120, where the {sup 15}N signals can be clearly correlated with the corresponding {sup 14}N signals and where the {sup 13}C signals are strongly enhanced. Thus, the observation of {sup 14}N {Delta}m{sub I} = {plus minus} 2 signals at Q-band provides a new technique for examining weak interactions with a cluster. Six proteins show an additional pattern near {nu} {approx} 18 MHz that arises from {sup 57}Fe in natural abundance (2.2%) with A({sup 57}Fe) {approx} 36 MHz, which opens the possibility of studying proteins for which enrichment is impractical. Q-band ENDOR studies also have been carried out on four {sup 2}H-exchanged Fe-S proteins, and ENDOR detects exchangeable protons in each. The importance of these findings for the interpretation of X- and Q-band ENDOR at low radiofrequencies is discussed.

  20. Moessbauer study in thin films of FeSi2 and FeSe systems

    NASA Technical Reports Server (NTRS)

    Escue, W. J.; Aggarwal, K.; Mendiratta, R. G.

    1978-01-01

    Thin films of FeSi2 and FeSe were studied using Moessbauer spectroscopy information regarding dangling bond configuration and nature of crystal structure in thin films was derived. A significant influence of crystalline aluminum substrate on film structure was observed.

  1. Use of Moessbauer spectroscopy to study reaction products of polyphenols and iron compounds

    SciTech Connect

    Gust, J. ); Suwalski, J. )

    1994-05-01

    Moessbauer spectroscopy was used to study parameters of the reaction products of iron compounds (Fe[sup III]) and polyphenols with hydroxyl (OH) groups in ortho positions. Polyphenols used in the reaction were catechol, pyrogallol, gallic acid, and oak tannin. The Fe-containing compounds were hydrated ferric sulfate (Fe[sub 2][SO[sub 4

  2. The {sup 57}Fe nuclear magnetic resonance shielding in ferrocene revisited. A density-functional study of orbital energies, shielding mechanisms, and the influence of the exchange-correlation functional

    SciTech Connect

    Schreckenbach, G.

    1999-06-01

    The {sup 57}Fe nuclear magnetic resonance (NMR) shielding and chemical shift in ferrocene, Fe(C{sub 5}H{sub 5}){sub 2}, are studied using density functional theory (DFT) and gauge-including atomic orbitals (GIAO). Electronic factors contributing to the chemical shift are discussed in detail. It is shown that the chemical shift is entirely determined by paramagnetic contributions which in turn are dominated by metal based occupied-virtual d{r_arrow}d couplings. In particular, the HOMO-1(a{sub 1}{sup {prime}}) and the HOMO (e{sub 2}{sup {prime}}) couple with the LUMO (e{sub 1}{sup {double_prime}}). It is argued that the {sup 57}Fe nucleus in ferrocene is less shielded than in the reference compound (iron pentacarbonyl) due to a smaller HOMO-LUMO gap, resulting in stronger interactions between occupied and virtual orbitals. The influence of the XC functional on the calculated molecular orbital (MO) energies of frontier orbitals is discussed. Different generalized gradient approximations (GGA) give similar results whereas hybrid functionals that incorporate part of the Hartree{endash}Fock exchange stabilize occupied MOs strongly and destabilize virtual MOs. HOMO-LUMO gaps are nearly doubled as a result. The previously noted {open_quotes}dramatic influence{close_quotes} of different exchange-correlation (XC) functionals on the calculated chemical shifts is analyzed. The influence of the XC functional is realized through the paramagnetic part of the shielding; hybrid functionals increase it in absolute terms as compared to pure DFT (GGA). It is argued that three factors are responsible. These are (i) the increased occupied-virtual gaps, (ii) the more diffuse nature of virtual orbitals, and (iii) the coupling due to the Hartree{endash}Fock exchange in hybrid functionals. The last two factors increase the paramagnetic part of the shielding, and this effect is only partly reversed by the increased occupied-virtual gaps that result in reduced interactions. It is suggested

  3. Moessbauer spectroscopy and catalytic studies on iron-exchanged, silicon-substituted Y-zeolite

    SciTech Connect

    Aparicio, L.M.; Dumesic, J.A.; Fang, S.; Long, M.A.; Ulla, M.A.; Millman, W.S.; Hall, W.K.

    1987-04-01

    Iron-exchanged zeolites with Si/Al ratios ranging from 2.49 to 8.88 were characterized by Moessbauer spectroscopy and studied for the decomposition of N/sub 2/O. Moessbauer spectra were collected at room temperature after pretreatments in H/sub 2/ and O/sub 2/ at 700 K, and after exposure of the samples to CO or H/sub 2/O. Nitrous oxide decomposition activities were determined at 800 K under a N/sub 2/O partial pressure of 3.5 kPa. Moessbauer spectra collected after pretreatment in H/sub 2/ showed that silicon-substituted Fe-Y had a larger fraction of iron cations in sites I', II', and/or II than conventional Fe-Y, in which most iron cations were in site I. The silicon-substituted Fe-Y catalysts had higher turnover frequencies for the decomposition of N/sub 2/O than conventional Fe-Y. Moessbauer spectra collected after pretreatment in O/sub 2/ showed that a fraction of the iron cations in silicon-substituted Fe-Y was more difficult to oxidize to Fe/sup 3 +/ than the iron in conventional Fe-Y. Moessbauer spectra collected after pretreatment in O/sub 2/ showed that a fraction of the iron cations in silicon-substituted Fe-Y was more difficult to oxidize to Fe/sup 3 +/ than the iron in conventional Fe-Y. This result suggests that pairs of iron cations in close proximity are needed for the oxidation process to occur readily. Finally, exposure of the zeolites to CO or H/sub 2/O produced Moessbauer spectroscopy doublets due to iron cations associated with adsorbate molecules. These doublets indicate that ferrous cations at sites I', II', and/or II serve as adsorption centers for H/sub 2/O, the adsorption process increasing the coordination of the ferrous cations, and that ferrous cations at site II can serve as adsorption centers for CO as well. 22 references.

  4. Bulk and thin films of FeTe: A Moessbauer study

    NASA Technical Reports Server (NTRS)

    Escue, W. T.; Aggarwal, K.; Mendiratta, R. G.

    1977-01-01

    Studies of bulk and thin films of FeTe using Moessbauer spectroscopy showed that FeTe has one noncubic Fe (+2) site which is 3d2 4s 4p3 hybridized. The presence of dangling bands was indicated in spectra of FeTe thin films. The films showed a tendency of texture formation. The substrate was observed to influence the film structure and nature of bonds in films.

  5. Mössbauer study of ^{57}Fe-doped La{2-x}SrxCuO4 : local magnetic properties in the semiconducting, superconducting and normal metallic regions of the phase diagram

    NASA Astrophysics Data System (ADS)

    Imbert, P.; Jéhanno, G.; Debray, P.; Garcin, C.; Hodges, J. A.

    1992-07-01

    From Mössbauer and resistivity measurements on ^57Fe-doped La{2-x}SrxCuO4, we have explored the phase diagram of the series for 0leq x leq 0.30 and 1.5 K leq T leq 295 K and we have studied the local magnetic properties in the semiconducting, superconducting, and normal metallic phases. The most outstanding result concerns the coexistence over part (0.06 lesssim x lesssim 0.16) of the total (0.06 lesssim x lesssim 0.25) superconducting range of two different fractions showing different local behaviours. The first fraction corresponds to intrinsic spin-freezing, below sim 8 K, in the Cu sublattice. The relative sample volume of this fraction which is attributed to semiconducting domains decreases as x increases. In the second fraction which is presumably superconducting, there is no evidence of intrinsic Cu moments, however iron induced local magnetic order is present. In the semiconducting fraction the Cu magnetic moments remain essentially parallel to the basal plane, while in the superconducting fraction the iron-induced local magnetization moves towards the c axis as x increases. We have performed accurate ^{57}Fe hyperfine measurements in an argon annealed quasi-stoichiometric La2CuO4 sample and we have observed an abrupt variation of the magnetization near the Néel temperature. In an air annealed La2CuO{4+y} sample, we have evidenced the presence of oxygen interstitials and we have shown that the effective interlayer magnetic coupling is strongly reduced with respect to the y=0 sample. A partir de mesures de spectrométrie Mössbauer et de résistivité, nous avons exploré le diagramme de phase de la série de composés La{2-x}SrxCuO4 dopés en ^{57}Fe et nous avons étudié les propriétés magnétiques locales dans les phases semiconductice, supraconductrice et métallique normale. Nous avons notamment observé la coexistence de deux fractions présentant un comportement local différent, dans une partie importante (0,06lesssim x lesssim 0,16) de la zone

  6. [sub 193]Ir Moessbauer study of chloro(carbonyl)bis-(triphenylphosphine)(buckminsterfullerene)iridium

    SciTech Connect

    Vertes, A.; Gal, M. ); Wagner, F.E. ); Tuczek, F.; Guetlich, P. )

    1993-09-29

    The authors have measured the Moessbauer spectrum of the adduct of chlorocarbonylbis(triphenylphosphine)iridium (CCTI) with buckminsterfullerene (C[sub 60]) and, for comparison, remeasured the spectra of both the parent compound CCTI and its adduct with tetracyanoethylene, CCTI-TCNE. Moessbauer spectra of the [sup 193]Ir 73 keV [gamma]-transition were taken at 4.2 K. The source was metallic [sup 193]Os, which, being hexagonal, exhibits a quadrupole splitting of about 0.48 mm/s. The individual lines of the quadrupole doublets of the studied samples are therefore not simple Lorentzians; this circumstance is taken into account in the fitting procedure. The full widths at half-maximum of the individual superimposed Lorentzian lines obtained by the least-squares fits are between 0.75 and 0.79 mm s[sup [minus]1] and thus but slightly larger than the natural line width of 0.60 mm s[sup [minus]1].

  7. Moessbauer spectroscopy study on the corrosion resistance of plasma nitrided ASTM F138 stainless steel in chloride solution

    SciTech Connect

    Souza, S.D. de; Olzon-Dionysio, M.; Basso, R.L.O.; Souza, S. de

    2010-10-15

    Plasma nitriding of ASTM F138 stainless steel samples has been carried out using dc glow discharge under 80% H{sub 2}-20% N{sub 2} gas mixture, at 673 K, and 2, 4, and 7 h time intervals, in order to investigate the influence of treatment time on the microstructure and the corrosion resistance properties. The samples were characterized by scanning electron microscopy, glancing angle X-ray diffraction and conversion electron Moessbauer spectroscopy, besides electrochemical tests in NaCl aerated solution. A modified layer of about 6 {mu}m was observed for all the nitrided samples, independent of nitriding time. The X-ray diffraction analysis shows broad {gamma}{sub N} phase peaks, signifying a great degree of nitrogen supersaturation. Besides {gamma}{sub N,} the Moessbauer spectroscopy results indicated the occurrence of {gamma}' and {epsilon} phases, as well as some other less important phases. Corrosion measurements demonstrate that the plasma nitriding time affects the corrosion resistance and the best performance is reached at 4 h treatment. It seems that the {epsilon}/{gamma}' fraction ratio plays an important role on the resistance corrosion. Additionally, the Moessbauer spectroscopy was decisive in this study, since it was able to identify and quantify the iron phases that influence the corrosion resistance of plasma nitrided ASTM F138 samples.

  8. Moessbauer and Electron Microprobe Studies of Density Separates of Martian Nakhlite Mil03346: Implications for Interpretation of Moessbauer Spectra Acquired by the Mars Exploration Rovers

    NASA Technical Reports Server (NTRS)

    Morris, R. V.; McKay, G. A.; Agresti, D. G.; Li, Loan

    2008-01-01

    Martian meteorite MIL03346 is described as an augite-rich cumulate rock with approx.80%, approx.3%, and approx.21% modal phase proportions of augite (CPX), olivine and glassy mesostasis, respectively, and is classified as a nakhlite [1]. The Mossbauer spectrum for whole rock (WR) MIL 03346 is unusual for Martian meteorites in that it has a distinct magnetite subspectrum (7% subspectral area) [2]. The meteorite also has products of pre-terrestrial aqueous alteration ("iddingsite") that is associated primarily with the basaltic glass and olivine. The Mossbauer spectrometers on the Mars Exploration Rovers have measured the Fe oxidation state and the Fe mineralogical composition of rocks and soils on the planet s surface since their landing in Gusev Crater and Meridiani Planum in January, 2004 [3,4]. The MIL 03346 meteorite provides an opportunity to "ground truth" or refine Fe phase identifications. This is particularly the case for the so-called "nanophase ferric oxide" (npOx) component. NpOx is a generic name for a ferric rich product of oxidative alteration. On Earth, where we can take samples apart and study individual phases, examples of npOx include ferrihydrite, schwertmannite, akagaaneite, and superparamagnetic (small particle) goethite and hematite. It is also possible for ferric iron to be associated to some unknown extent with igneous phases like pyroxene. We report here an electron microprobe (EMPA) and Moessbauer (MB) study of density separates of MIL 03346. The same separates were used for isotopic studies by [5]. Experimental techniques are described by [6,7].

  9. In-field {sup 57}Fe Mössbauer spectroscopy below spin-flop transition in powdered troilite (FeS) mineral

    SciTech Connect

    Cuda, Jan Tucek, Jiri; Filip, Jan; Malina, Ondrej; Krizek, Michal; Zboril, Radek

    2014-10-27

    Powdered troilite (FeS), extracted from the Cape York IIIA octahedrite meteorite, was investigated employing in-field {sup 57}Fe Mössbauer spectroscopy. The study identified a typical behavior of polycrystalline antiferromagnetic material under external magnetic fields. The in-field evolution of the {sup 57}Fe Mössbauer spectra showed that the spin-flop transition in the FeS system occurs at a field higher than 5 T.

  10. Iron-oxide Aerogel and Xerogel Catalyst Formulations: Characterization by 57Fe Mössbauer and XAFS Spectroscopies

    SciTech Connect

    Huggins, F.; Bali, S; Huffman, G; Eyring, E

    2010-01-01

    Iron in various iron-oxide aerogel and xerogel catalyst formulations ({ge}85% Fe{sub 2}O{sub 3}; {le}10% K, Co, Cu, or Pd) developed for possible use in Fischer-Tropsch synthesis (FTS) or the water-gas-shift (WGS) reaction has been examined by {sup 57}Fe Moessbauer spectroscopy. The seventeen samples consisted of both as-prepared and calcined aerogels and xerogels and their products after use as catalysts for FTS or the WGS reaction. Complementary XAFS spectra were obtained on the occurrence of the secondary elements in some of the same materials. A broad, slightly asymmetric, two-peak Moessbauer spectrum was obtained from the different as-prepared and calcined catalyst formulations in the majority of cases. Such spectra could only be satisfactorily fit with three quadrupole doublet components, but no systematic trends in the isomer shift and quadrupole splitting parameters and area ratios of the individual components could be discerned that reflected variations in the composition or preparation of the aerogel or xerogel materials. However, significant reductions were noted in the Moessbauer effective thickness (recoilless absorption effect per unit mass of iron) parameter, {chi}{sub eff}/g, determined at room temperature, for aerogels and xerogels compared to bulk iron oxides, reflecting the openness and lack of rigidity of the aerogel and xerogel structures. Moessbauer measurements for two aerogels over the range from 15 to 292 K confirmed the greatly diminished nature of this parameter at room temperature. Major increases in the effective thickness parameter were observed when the open structure of the aerogel or xerogel collapsed during calcination resulting in the formation of iron oxides (hematite, spinel ferrite). Similar structural changes were indicated by increases in this parameter after use of iron-oxide aerogels as catalysts for FTS or the WGS reaction, during which the iron-oxide aerogel was converted to a mixture of nonstoichiometric magnetite and

  11. Neutron In-beam Moessbauer Spectroscopy with a Parallel Plate Avalanche Counter

    SciTech Connect

    Kubo, M.K.; Kobayashi, Y.; Yamada, Y.; Nemoto, Y.; Saito, T.; Sakai, Y.; Shoji, H.; Yonezawa, C.; Matsue, H.; Nakada, M.

    2005-04-26

    An in-beam 57Fe Moessbauer spectroscopy system using a parallel plate avalanche counter has been developed for characterizing chemical species produced after neutron capture reactions. The high signal-to-background ratio of the detector enabled us to obtain the first spectrum of semiconductor iron disulfide. A new chemical species of iron, different from the parent compound, arising from the nuclear reaction was clearly observed.

  12. Moessbauer study of iron-carbide growth and Fischer-Tropsch activity

    SciTech Connect

    Rao, K.R.P.M.; Huggins, F.E.; Huffman, G.P.

    1995-12-31

    There is a need to establish a correlation between the Fischer-Tropsch (FT) activity of an iron-based catalyst and the catalyst phase during FT synthesis. The nature of iron phases formed during activation and FT synthesis is influenced by the nature of the gas and pressure apart from other parameters like temperature, flow rate etc., used for activation. Moessbauer investigations of iron-based catalysts subjected to pretreatment at two different pressures in gas atmospheres containing mixtures of CO, H{sub 2}, and He have been carried out. Studies on UCI 1185-57 (64%Fe{sub 2}O{sub 3}/5%CuO/1%K{sub 2}O/30% Kaolin) catalyst indicate that activation of the catalyst in CO at 12 atms. leads to the formation of 100% magnetite and the magnetite formed gets rapidly converted to at least 90% of {chi}-Fe{sub 5}C{sub 2} during activation. The FT activity was found to be good at 70-80% of (H{sub 2}+CO) conversion. On the other hand, activation. The FT activity was found to be good at 70-80% of (H{sub 2}+CO) conversion. On the other hand, activation of the catalyst in synthesis gas at 12 atms. leads to formation of Fe{sub 3}O{sub 4} and it gets sluggishly converted to {chi}-Fe{sub 5}C{sub 2} and {epsilon}-Fe{sub 2.2}C during activation and both continue to grow slowly during FT synthesis. FT activity is found to be poor. Pretreatment of the catalyst, 100fe/3.6Si/0.71K at a low pressure of 1 atms. in syngas gave rise to the formation of {chi}-Fe{sub 5}C{sub 2} and good FT activity. On the other hand, pretreatment of the catalyst, 100Fe/3.6Si/0.71K at a relatively high pressure of 12 atms. in syngas did not give rise to the formation any carbide and FT activity was poor.

  13. Nuclear Bragg x-ray scattering of synchrotron radiation by sup 57 Fe sub 2 O sub 3

    SciTech Connect

    Haustein, P.E.; Berman, L.E.; Faigel, G.; Grover, J.R.; Hastings, J.B.; Siddons, D.P.

    1989-01-01

    A program of studies of nuclear Bragg x-ray scattering with {sup 57}Fe{sub 2}O{sub 3} at the National Synchrotron Light Source at Brookhaven National Laboratory and at the Cornell University CHESS facility is reviewed. Two main areas, instrumentation development and studies of dynamical diffraction processes, are described. The latter area has included: measurements of the temporal behaviour of nuclear collective decay mode and direct observation of polarization mixing. 7 refs., 5 figs.

  14. Fe^2^+-Mg Order-Disorder Processes in Orthopyroxenes from São João Nepomuceno (IVA) Iron Meteorite: ^57Fe Mössbauer Spectroscopy and Single-Crystal X-Ray Diffraction Studies

    NASA Astrophysics Data System (ADS)

    Dos Santos, E.; Scorzelli, R. B.; Abdu, Y. A.; Varela, M. E.; Munayco, P.

    2013-09-01

    Here we study cation distribution in orthopyroxenes from São João Nepomuceno meteorite by Mössbauer spectroscopy, electron microprobe and single-crystal X-ray diffraction, in order to get insights into the thermal history of this meteorite.

  15. Verwey transition of nano-sized magnetite crystals investigated by 57Fe NMR

    NASA Astrophysics Data System (ADS)

    Lim, Sumin; Choi, Baek Soon; Lee, Soon Chil; Hong, Jaeyoung; Lee, Jisoo; Hyeon, Taeghwan; Kim, Taehun; Jeong, Jaehong; Park, Je-Geun

    It is well known that magnetite crystals undergo a metal-insulator transition at the Verwey transition temperature, TV = 123 K. In this work, we studied the Verwey transition of nano-sized crystals with 57Fe NMR. In the metallic state above Tv, the NMR spectrum shows a single sharp peak, which broadens below TV indicating the Verwey transition. We measured the spectra of the nano-crystals with radii of 16 nm, 25 nm, and 40 nm and compared with that of a bulk. The transition temperature obtained from the NMR spectra depends on both the crystal size and crystallinity. When the crystal size decreases from bulk to 16 nm, the transition temperature drops from 123 K to 100 K. The transition temperature of the samples kept dry air decrease due to aging.

  16. Moessbauer and magnetic study of Mn, Zr and Cd substituted W-type hexaferrites prepared by co-precipitation

    SciTech Connect

    Iqbal, Muhammad Javed; Khan, Rafaqat Ali; Mizukami, Shigemi; Miyazaki, Terunobu

    2011-11-15

    Highlights: {yields} Zr and Cd ions substitute tetrahedral 4e and 4f{sub IV} sites while Mn ions occupy octahedral 6g and 4f sites. {yields} Doping of W-type hexaferrites with Mn, Zr and Cd improves the values of M{sub s} and M{sub r}. {yields} The enhancement of magnetic characteristic togetherwith the formation of rice shaped W-type hexaferrites nanoparticles is promising for imaging and sensing devices. {yields} The synthesized materials are suitable for magnetic data storage with high density. -- Abstract: BaCo{sub 2-x}Mn{sub x}Fe{sub 16-2y}(Zr-Cd){sub y}O{sub 27} (x = 0-0.5 and y = 0-1.0) hexaferrite nanocrystallites of average sizes in the range of 33-42 nm are synthesized by the chemical co-precipitation method. The synthesized materials are characterized using different techniques including X-ray diffraction (XRD), energy dispersive X-ray florescence (ED-XRF), scanning electron microscope (SEM), Moessbauer spectrometer and vibrating-sample magnetometer (VSM). Based on analysis of the data obtained from Moessbauer spectral studies, doping is believed to have occurred preferably in the vicinity of 12k sub-lattice, i.e. f{sub IV} (4e, 4f{sub IV}), 2b (6g, 4f) and 2d site. Variations in the saturation magnetization (77.1-60.9 emu g{sup -1}), remanent magnetization (22.08-31.23 emu g{sup -1}) and coercivity (1570.1-674.7 Oe) exhibit tunable behavior with dopant content and therefore can be useful for application in various magnetic devices.

  17. Moessbauer Nose Print

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This image was taken by the microscopic imager, an instrument located on the Mars Exploration Rover Opportunity 's instrument deployment device, or 'arm.' The image shows the imprint of the donut-shaped plate on the rover's Moessbauer spectrometer instrument, also located on the 'arm.' The Moessbauer spectrometer was deployed within the trench to investigate the fine-grained soil for iron-bearing minerals. The area in this image measures approximately 3 centimeters (1.2 inches) across.

  18. Moessbauer study at room temperature of zinc ferrite as sorbent for hot coal gas desulphurization

    SciTech Connect

    Ahmed, M.A.

    2009-07-01

    Abstract: The method of using Moessbauer spectroscopy at room temperature was applied to assign the iron sites in one fresh zinc ferrite sample ZF with (1:1) concentration of their component oxides and calcined at 900C as well as its sulfurization derivatives at 750C in different coal gas of composition 0.5% H{sub 2}S + 0.5% H{sub 2}; 0.5% H{sub 2}S + 10% H{sub 2}; 0.5% H{sub 2}S + 25% H{sub 2}, and 0.5% H{sub 2}S + 10% H{sub 2}O (v). The most important iron phase obtained in the sulfurized samples, was pyrrhotite, Fe1-xS that exhibit three well different ional sextets. From the peak area and the associated magnetic hyperfine fields, the average magnetic field was calculated and indicates lowering in the number of iron vacancies whereas x is close to 0.

  19. Magnetic and Moessbauer studies on GdCo/sub 3/B/sub 2/ and DyCo/sub 3/B/sub 2/

    SciTech Connect

    Malik, S.K.; Umarji, A.M.; Shenoy, G.K.

    1984-10-01

    Magnetization and Moessbauer studies have been carried out on GdCo/sub 3/B/sub 2/ and DyCo/sub 3/B/sub 2/. These compounds are magnetically ordered with Curie temperatures of 56/sup 0/ and 21/sup 0/K respectively. The Co atoms are either nonmagnetic or carry a small moment in these compounds. The saturation moment of DyCo/sub 3/B/sub 2/ at 5/sup 0/K is smaller than the Dy/sup 3 +/ free-ion value. From /sup 161/Dy Moessbauer studies, the measured hyperfine magnetic field at the Dy site is also observed to be smaller than the free-ion value. /sup 155/Gd Moessbauer measurements in GdCo/sub 3/B/sub 2/ reveal the presence of large crystalline electric fields at the rare earth site. This causes the moment and the hyperfine field at the Dy site in DyCo/sub 3/B/sub 2/ to be reduced from its free-ion value.

  20. Nuclear quadrupole moment of 57Fe from microscopic nuclear and atomic calculations.

    PubMed

    Martínez-Pinedo, G; Schwerdtfeger, P; Caurier, E; Langanke, K; Nazarewicz, W; Söhnel, T

    2001-08-01

    The nuclear quadrupole moment (NQM) of the Ipi = 3/2(-) excited nuclear state of 57Fe at 14.41 keV, important in Mössbauer spectroscopy, is determined from the large-scale nuclear shell-model calculations for 54Fe, 57Fe, and also from the electronic ab initio and density functional theory calculations including solid state and electron correlation effects for the molecules Fe(CO)(5) and Fe(C5H5)(2). Both independent methods yield very similar results. The recommended value is 0.15(2) e b. The NQM of the isomeric 10+ in 54Fe has also been calculated. The new NQM values for 54Fe and 57Fe are consistent with the perturbed angular distribution data.

  1. Mössbauer evidence of 57Fe3O4 based ferrofluid biodegradation in the brain

    NASA Astrophysics Data System (ADS)

    Polikarpov, D.; Cherepanov, V.; Chuev, M.; Gabbasov, R.; Mischenko, I.; Nikitin, M.; Vereshagin, Y.; Yurenia, A.; Panchenko, V.

    2014-04-01

    The ferrofluid, based on 57Fe isotope enriched Fe3O4 nanoparticles, was synthesized, investigated by Mössbauer spectroscopy method and injected transcranially in the ventricle of the rat brain. The comparison of the Mössbauer spectra of the initial ferrofluid and the rat brain measured in two hours and one week after the transcranial injection allows us to state that the synthesized magnetic 57Fe3O4 nanoparticles undergo intensive biodegradation in live brain and, therefore, they can be regarded as a promising target for a new method of radionuclide-free Mössbauer brachytherapy.

  2. Correlation of Coal Calorific Value and Sulphur Content with 57Fe Mössbauer Spectral Absorption

    NASA Astrophysics Data System (ADS)

    Wynter, C. I.; May, L.; Oliver, F. W.; Hall, J. A.; Hoffman, E. J.; Kumar, A.; Christopher, L.

    Coal is the most abundant, most economical and widely distributed fossil fuel in the world today. It is also the principal form of reductant in the iron and steel industry. This study was undertaken to not only add to the growing use of Mössbauer spectroscopy application in industry but also to increase the chemistry and physics knowledge base of coal. Coal is 40 to 80 percent carbon with small amounts of sulphur and iron as pyrite and ferrous sulphate. The environmental concern associated with mining and burning of coal has long been a subject of investigation with emphasis on the sulphur content. We examined five ranks of coal: anthracite, Eastern bituminous, bituminous, sub-bituminous, and lignite. Relationships were investigated between the Calorific Value (CV) of coal and inorganic sulphur content, 57Fe Mössbauer absorption, and ratio of pyrite (FeS2) to FeSO4. Twenty-eight samples of the five different types of coal had CVs ranging from 32,403 to 16,100 kJ/kg and sulphur concentrations ranging from 0.28 to 2.5 percent. CV appeared to be positively correlated with concentrations of sulphur and of iron-sulphur salts, although there appears to be little connection with the distribution of their oxidation states.

  3. Probe Mössbauer spectroscopy of mechanical alloying in binary Cr‐{sup 57}Fe(1 at%) system

    SciTech Connect

    Elsukov, Evgeny P. Kolodkin, Denis A. Ul'yanov, Alexander L. Porsev, Vitaly E.

    2014-10-27

    Solid state reactions during mechanical alloying (MA) in a binary mixture of powdered Cr and {sup 57}Fe in atomic ratio of 99:1 have been studied using {sup 57}Fe Mössbauer spectroscopy, X-ray diffraction and Auger spectrometry. The proposed model of MA includes formation of Cr(Fe){sub x}O{sub y} oxides at the contact places of Cr and Fe particles, formation of nanostructure with simultaneous dissolution of the oxides, penetration of Fe atoms along grain boundaries in close-to-boundary distorted zones of interfaces in a substitutional position, formation of the substitutional solid solution of Fe in Cr in the body of grains. It was shown that the increase in the BCC lattice parameter on increasing the milling time is due to the dissolution of oxides and formation of interstitial solid solution of O in Cr. There were established substantial differences in consumption of BCC Fe in a Mg → Al → Si → Cr sequence due to the major role of chemical interaction of Mg(Al,Si,Cr) with Fe.

  4. Surface analysis of mixed-conducting ferrite membranes by the conversion-electron Moessbauer spectroscopy

    SciTech Connect

    Waerenborgh, J.C.; Tsipis, E.V.; Yaremchenko, A.A.; Kharton, V.V.

    2011-09-15

    Conversion-electron Moessbauer spectroscopy analysis of iron surface states in the dense ceramic membranes made of {sup 57}Fe-enriched SrFe{sub 0.7}Al{sub 0.3}O{sub 3-{delta}} perovskite, shows no traces of reductive decomposition or carbide formation in the interfacial layers after operation under air/CH{sub 4} gradient at 1173 K, within the limits of experimental uncertainty. The predominant trivalent state of iron cations at the membrane permeate-side surface exposed to flowing dry methane provides evidence of the kinetic stabilization mechanism, which is only possible due to slow oxygen-exchange kinetics and enables long-term operation of the ferrite-based ceramic reactors for natural gas conversion. At the membrane feed-side surface exposed to air, the fractions of Fe{sup 4+} and Fe{sup 3+} are close to those in the powder equilibrated at atmospheric oxygen pressure, suggesting that the exchange limitations to oxygen transport are essentially localized at the partially reduced surface. - Graphical Abstract: Conversion-electron Moessbauer spectroscopy analysis of dense ceramic membranes made of {sup 57}Fe-enriched SrFe{sub 0.7}Al{sub 0.3}O{sub 3-{delta}} perovskite, shows no reductive decomposition in thin interfacial layers after testing under air/CH{sub 4} gradient, enabling stable operation of the ferrite-based ceramic reactors for partial oxidation of methane. Highlights: > Conversion-electron Moessbauer spectroscopy is used for mixed-conducting membranes. > No decomposition is detected in the membrane surface layers under air/CH{sub 4} gradient. > Due to kinetic stabilization, Fe{sup 3+} states prevail at the surface exposed to methane. > Transmission Moessbauer spectra show perovskite decomposition on equlibration in CH{sub 4}. > Ferrite-based ceramic reactors can stably operate under air/CH{sub 4} gradient.

  5. Probe Mössbauer spectroscopy of the evolution of mechanically alloyed Mo92O8(57Fe) system upon heat treatment

    NASA Astrophysics Data System (ADS)

    Yelsukov, E. P.; Protasov, A. V.; Voronina, E. V.; Dobysheva, L. V.; Arzhnikov, A. K.

    2012-07-01

    X-ray diffraction and Mögsbauer spectroscopy have been used to study the multistage character of the process of recovery to equilibrium in the course of isochronous (1 h) annealings (300-1300°C) of a mechanically alloyed nanocrystalline Mo92O8 system with 1 at % Mögsbauer isotope 57Fe. Three stages of the recovery to the equilibrium state have been established: at 300-700°C, the stage of structural relaxation; at 700-1100°C, the stage of normal grain growth and formation of a dislocation structure; and at 1100-1300°C, the stage of the formation of a composite Mo99 57Fe1/MoO2.

  6. Mössbauer investigations of hyperfine interactions features of {sup 57}Fe nuclei in BiFeO{sub 3} ferrite

    SciTech Connect

    Sobolev, Alexey Presniakov, Igor Rusakov, Vyacheslav Matsnev, Mikhail; Gorchakov, Dmitry; Glazkova, Iana; Belik, Alexey

    2014-10-27

    New results of {sup 57}Fe Mössbauer studies on BiFeO{sub 3} powder sample performed at various temperatures above and below magnetic phase transitions point T{sub N} ≈ 640K are reported. We have performed self-consistent calculations of the lattice contributions to the EFG tensor, taking into account dipole moments of the O{sup 2−} and Bi{sup 3+} ions. Low-temperature {sup 57}Fe Mössbauer spectra recorded at T < T{sub N} were analyzed assuming an anharmonic cycloidal modulation of the Fe{sup 3+} magnetic moments. The cycloidal modulation of the iron spin was described with the elliptic Jacobi function sn[(±4K(m)/λ)x,m]. The good fit of the experimental spectra was obtained for the anharmonicity m = 0.44 ± 0.04 (T = 4.9K) resulting from the easy-axis magnetic anisotropy.

  7. 57 Fe Mössbauer probe of spin crossover thin films on a bio-membrane

    NASA Astrophysics Data System (ADS)

    Naik, Anil D.; Garcia, Yann

    2012-03-01

    An illustrious complex [Fe(ptz)6](BF4)2 (ptz = 1-propyl-tetrazole) ( 1) which was produced in the form of submicron crystals and thin film on Allium cepa membrane was probed by 57Fe Mossbauer spectroscopy in order to follow its intrinsic spin crossover. In addition to a weak signal that corresponds to neat SCO compound significant amount of other iron compounds are found that could have morphed from 1 due to specific host-guest interaction on the lipid-bilayer of bio-membrane. Further complimentary information about biogenic role of membrane, was obtained from variable temperature Mossbauer spectroscopy on a ~5% enriched [57Fe(H2O)6](BF4)2 salt on this membrane.

  8. Bistability of the Sn donor in Al(x)Ga(1-x)As and GaAs under pressure studied by Moessbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Gibart, Pierre; Williamson, Don L.

    1991-02-01

    Deep donor levels are observed in Al(x)Ga(1-x)As for x of greater than 0.22 and GaAs under hydrostatic pressure (for p of more than 2GPa). Persistent photoconduction (PPC) is the most striking feature of this deep donor, the DX center. Upon illumination at low temperature, the free-electrons concentration increases and remains at this new value even after the light is off. Basically the DX centers are photoionized and one (or several) electrons per center are transferred to the conduction band. The bistable character of the donor which involves two electronic configurations is studied by Moessbauer spectroscopy (MS). Electronic wavefunctions, near-neighbor geometries and lattice vibrational properties can be probed. Moessbauer spectroscopy is used to observe the Sn DX center in Al(x)Ga(1-x)As near x = 0.3-0.4 and in GaAs under high pressure. The latter experiment, coupled with Hall data, provides strong evidence that the Sn DX center localizes two or more electrons in the ground state.

  9. Thermal Neutron Capture Cross Sections of 54,56,57Fe

    NASA Astrophysics Data System (ADS)

    Belgya, T.; Szentmiklósi, L.; Gunsing, F.; Firestone, R. B.; Krticka, M.

    2013-03-01

    Radiative neutron capture has been measured on enriched 54,56,57Fe samples. Total thermal neutron capture cross sections were determined from the observed partial γ-ray cross sections. All of the total cross sections were found to be smaller than the recent evaluation, probably due to many weak unobserved contributions. The decay scheme of 55Fe from the capture reaction was substantially enlarged.

  10. Impact of /sup 57/Fe on neutron penetration in thick sodium-iron shields

    SciTech Connect

    Fu, C.Y.; Ingersoll, D.T.

    1985-01-01

    The latest release of the VITAMIN-E multigroup cross-section library contains two different versions of neutron cross sections for natural iron, one based on ENDF/B-V MOD-1, and the other on MOD-3. The isotope /sup 57/Fe has four inelastic-scattering levels below 846 keV, the energy of the first excited state in /sup 56/Fe. The importance of the new cross sections was investigated by using both VITAMIN-E versions of the iron cross sections in S/sub 8/P/sub 3/ 174 group ANISN calculations for two Na-Fe shield configurations. In neutron penetration calculations through thick steel regions, /sup 57/Fe can be 10 times more important than is indicated by its isotopic abundance in natural iron. The 14.4-keV inelastic level of /sup 57/Fe is sufficiently important that it may be worthwhile to perform a measurement of this cross section to validate the ENDF/B-V MOD-3 value, which was obtained from nuclear model calculations. Shielding analyses were done with iron cross sections predating ENDF/B-V MOD-3 should be reviewed and may need to be revised.

  11. Effect of 57Fe-goethite Amendment on Microbial Community Composition and Dynamics During the Transition from Iron to Sulfate Reduction

    NASA Astrophysics Data System (ADS)

    Moon, H.; McGuiness, L.; Kukkadapu, R. K.; Peacock, A.; Komlos, J.; Kerkhof, L.; Long, P. E.; Jaffe, P. R.

    2009-12-01

    Due to an increasing interest in microbial biostimulation for the purpose of U(VI) bioreduction, which proceeds via iron reduction, there is a growing need for a better understanding of the associated biogeochemical dynamics. This includes Fe(III) availability as well as the microbial community changes, including the activity of iron-reducers during the biostimulation period even after the onset of sulfate reduction. An up-flow column experiment was conducted with Old Rifle site sediments, where half of the columns had sediment that was augmented with 57Fe-goethite to track minute goethite changes after the onset of sulfate reduction, and to study the effects of increased Fe(III) levels on the overall biostimulation dynamics. The addition of the 57Fe-goethite did not delay the onset of sulfate reduction, but slightly suppressed the overall rate of sulfate reduction and hence acetate utilization. Mossbauer analyses confirmed that there was bioavailable iron present after the onset of sulfate reduction and that iron was still being reduced during sulfate reduction. Addition of the 57Fe-goethite to the sediment had a noticeable effect on the overall composition of the microbial population. 16S rRNA analyses of biostimulatd sediment using TRFLP showed that Geobacter sp. were still active and replicating after sulfate reduction had occurred for over 30 days. DNA fingerprints of the sediment-attached microbial communities were dominated by 5 TRFs, that comprised 25-57 % of the total profile. Augmentation of sediments with the 57Fe-goethite resulted in somewhat higher numbers of Geobacter-like species throughout the experiment, and during sulfate reduction slightly lower numbers of sulfate reducers. These columns also had a slightly improved U(VI) removal efficiency, which might be attributed to the higher Geobacter-like numbers.

  12. Microscopic 57 Fe electric-field-gradient and anisotropic mean-squared-displacement tensors: ferrous chloride tetrahydrate

    NASA Astrophysics Data System (ADS)

    Bull, James N.; Fitchett, Christopher M.; Tennant, W. Craighead

    2010-06-01

    This paper reports the determination of the electric-field-gradient and mean-squared-displacement tensors in 57Fe symmetry-related sites of bar {1} Laue class in monoclinic FeCl2.4H2O at room temperature by single-crystal Mössbauer spectroscopy. Contrary to all previous work, the mean-squared-displacement matrix (tensor), , is not constrained to be isotropic resulting in the determination of physically meaningful estimates of microscopic (local) electric-field gradient (efg) and tensors. As a consequence of anisotropy in the tensor the absorber recoilless fractions are also anisotropic. As expected of a low-symmetry site, Laue class bar{1} in this case, no two principal axes of the efg and tensors are coaxial, within the combined errors in the two. Further, no principal direction of the efg tensor seems related to bond directions in the unit cell. Within error, and in agreement with an earlier study of sodium nitroprusside, it appears that the tensor principal directions lie close to the crystallographic axes suggesting that they are determined by long wavelength (phonon) vibrations in the crystal rather than by approximate local symmetry about the 57Fe nucleus. Concurrent with the Mössbauer measurements, we determined as part of a new X-ray structural determination, precise atomic displacement parameters (ADPs) leading to an alternative determination of the matrix (tensor). The average of the eigenvalues of the Mössbauer-determined exceeds that of the average of the X-ray-determined eigenvalues by a factor of around 2.2. Assuming isotropic absorber recoilless fractions leads to substantially the same (macroscopic) efg tensor as had been determined in earlier work. Taking 1/3× the trace of the anisotropic absorber recoilless fractions leads to an isotropic value of 0.304 in good agreement with earlier single crystal studies where isotropy was assumed.

  13. Moessbauer spectroscopy study of the aging and tempering of high nitrogen quenched Fe-N alloys: Kinetics of formation of Fe{sub 16}N{sub 2} nitride by interstitial ordering in martensite

    SciTech Connect

    Fall, I.; Genin, J.M.R. |

    1996-08-01

    The distribution of nitrogen atoms in austenite and during the different stages of aging and tempering of martensite is studied by Moessbauer spectroscopy, X-ray diffraction, and transmission electron microscopy (TEM). Transmission Moessbauer spectroscopy (TMS) and conversion electron Moessbauer spectroscopy (CEMS) are used for studying the austenite phase where the distribution of nitrogen atoms is found to depend on the nitriding method, gas nitriding in the authors` case, or ion implantation. Conversion electron Moessbauer spectroscopy, which concerns a depth predominantly less than 200 nm, reveals a nitrogen atom distribution different from that found in the bulk by TMS. The identification and kinetics of the stages of aging and tempering of martensite are followed by TMS measurements, and the phase characterization is confirmed by X-ray diffraction and TEM. The major stages are the early ordering of nitrogen atoms, which leads to small coherent precipitates of {alpha}-Fe{sub 16}N{sub 2}; the passage by thickening to semicoherent precipitates of {alpha}-Fe{sub 16}N{sub 2}; the dissolution of {alpha}-Fe{sub 16}N{sub 2} with the concomitant formation of {gamma}-Fe{sub 4}N; and the decomposition of retained austenite by tempering. The three first stages correspond to activation energies of 95, 126, and 94 kJ/mole, respectively, consistent with the nitrogen diffusion for the first and third stages and the dislocation pipe diffusion of iron for the second.

  14. EPR and (57)Fe ENDOR investigation of 2Fe ferredoxins from Aquifex aeolicus.

    PubMed

    Cutsail, George E; Doan, Peter E; Hoffman, Brian M; Meyer, Jacques; Telser, Joshua

    2012-12-01

    We have employed EPR and a set of recently developed electron nuclear double resonance (ENDOR) spectroscopies to characterize a suite of [2Fe-2S] ferredoxin clusters from Aquifex aeolicus (Aae Fd1, Fd4, and Fd5). Antiferromagnetic coupling between the Fe(II), S = 2, and Fe(III), S = 5/2, sites of the [2Fe-2S](+) cluster in these proteins creates an S = 1/2 ground state. A complete discussion of the spin-Hamiltonian contributions to g includes new symmetry arguments along with references to related FeS model compounds and their symmetry and EPR properties. Complete (57)Fe hyperfine coupling (hfc) tensors for each iron, with respective orientations relative to g, have been determined by the use of "stochastic" continuous wave and/or "random hopped" pulsed ENDOR, with the relative utility of the two approaches being emphasized. The reported hyperfine tensors include absolute signs determined by a modified pulsed ENDOR saturation and recovery (PESTRE) technique, RD-PESTRE-a post-processing protocol of the "raw data" that comprises an ENDOR spectrum. The (57)Fe hyperfine tensor components found by ENDOR are nicely consistent with those previously found by Mössbauer spectroscopy, while accurate tensor orientations are unique to the ENDOR approach. These measurements demonstrate the capabilities of the newly developed methods. The high-precision hfc tensors serve as a benchmark for this class of FeS proteins, while the variation in the (57)Fe hfc tensors as a function of symmetry in these small FeS clusters provides a reference for higher-nuclearity FeS clusters, such as those found in nitrogenase. PMID:22872138

  15. Ordering and oxygen content effects in YBa sub 2 (Cu sub 1 minus x Fe sub x ) sub 3 O sub 7 samples observed by high-temperature Moessbauer spectroscopy

    SciTech Connect

    Saitovitch, E.B.; Scorzelli, R.B.; Azevedo, I.S.; dos Santos, C.A. )

    1990-05-01

    We report here {ital in} {ital situ} high-temperature {sup 57}Fe Moessbauer measurements on YBa{sub 2}(Cu{sub 1{minus}{ital x}}Fe{sub {ital x}}){sub 3}O{sub 7} samples in controlled oxygen atmosphere, in air, or in vacuum. In these conditions, fundamental information can be obtained related to the thermal stability of the different Fe species, as well as the mechanism of oxygen loss.

  16. Inelastic scattering in condensed matter with high intensity Moessbauer radiation

    SciTech Connect

    Yelon, W.B.; Schupp, G.

    1993-02-01

    The QUEGS facility at MURR has produced a number of new results and demonstrated the range of potential applications of high resolution, high intensity Moessbauer scattering. This work has been carried out by both MU and Purdue researchers and includes published results on Na, W, pentadecane, polydimethylsiloxane and other systems, manuscripts submitted on alkali halides (Phys. Rev. B) and accurate Moessbauer lineshape measurements (Phys. Rev. C), and manuscripts in preparation on glycerol, NiAl and Moessbauer spectra obtained by modulating a scattering crystal. Recently, new collaborations have been initiated which will substantially enhance our efforts. These are with W. Steiner (Vienna), G. Coddens (Saclay), and R. D. Taylor (Los Alamos). Steiner is experienced with Fe-57 Moessbauer scattering, while Coddens specializes in quasielastic neutron scattering; both of these areas naturally complement our work. R. D. Taylor has pioneered Moessbauer spectroscopy from the time of its discovery and has already made important contributions to our study of lattice dynamics and superconductivity for lead alloyed with small quantities of tin. At the same time, a significant instrument upgrade is underway, funded in part by the DOE-URIP program.

  17. High-Pressure 57Fe Mössbauer Spectroscopy of LaFeAsO

    NASA Astrophysics Data System (ADS)

    Kawakami, Takateru; Kamatani, Takanori; Okada, Hironari; Takahashi, Hiroki; Nasu, Saburo; Kamihara, Yoichi; Hirano, Masahiro; Hosono, Hideo

    2009-12-01

    The electronic properties of an oxypnictide, LaFeAsO, pressurized in a diamond-anvil cell, were investigated by 57Fe Mössbauer spectroscopy and electrical resistance measurements at pressures up to 24 and 35 GPa, respectively. The Néel temperature gradually decreased from ˜140 K at 0.1 MPa to ˜50 K at 20 GPa, and fell below 8 K or disappeared at 24 GPa. The hyperfine field at 8 K decreased from 5.3 T at 0.1 MPa to 2.2 T at 20 GPa. On the other hand, the onset of superconductivity occurred at ˜9 K at 2 GPa. The superconductivity peaked at ˜21 K at 12 GPa, and then began a perceptible decline, disappearing at ˜35 GPa. This suggests that suppression of antiferromagnetic order plays an important role in the emergence of pressure-induced superconductivity.

  18. The Contribution of 57Fe Mössbauer Spectrometry to Investigate Magnetic Nanomaterials

    NASA Astrophysics Data System (ADS)

    Greneche, Jean-Marc

    Fe containing nanomaterials and nanoparticles are quite important because their unusual physical properties make them excellent candidates for different applications. 57Fe Mössbauer spectrometry appears as an excellent tool to provide structural and magnetic data through the hyperfine parameters. After a short definition of nanostructures and their main characteristics originated from confinement effects, we established the relevant features to understand nanoscale magnetism. Some examples have been thus selected to illustrate first how Mössbauer spectrometry contributes to understand the chemical, structural and magnetic nature of nanostructures and the role of surface and grain boundaries. Then, they also demonstrate also how the fitting procedure remains a delicate task to model the hyperfine structure and does require on the one hand large experimental data basis obtained from different techniques including structural, morphological and magnetic parameters and on the other hand materials with high knowledge and control of synthesis conditions.

  19. (Gamma scattering in condensed matter with high intensity Moessbauer radiation)

    SciTech Connect

    Not Available

    1992-01-01

    This report discusses: quasielastic scattering studies on glycerol; gamma-ray scattering from alkali halides; lattice dynamics in metals; Moessbauer neutron scattering, x-ray diffraction, and macroscopic studies of high {Tc} superconductors containing tungsten; NiAl scattering studies; and atomic interference factors and nuclear Casimir effect.

  20. The Miniaturized Moessbauer Spectrometer MIMOS II for the Asteroid Redirect Mission(ARM): Quantative Iron Mineralogy And Oxidation States

    NASA Technical Reports Server (NTRS)

    Schroeder, C.; Klingelhoefer, G; Morris, R. V.; Yen, A. S.; Renz, F.; Graff, T. G.

    2016-01-01

    The miniaturized Moessbauer spectrometer MIMOS II is an off-the-shelf instrument with proven flight heritage. It has been successfully deployed during NASA’s Mars Exploration Rover (MER) mission and was on-board the UK-led Beagle 2 Mars lander and the Russian Phobos-Grunt sample return mission. A Moessbauer spectrometer has been suggested for ASTEX, a DLR Near-Earth Asteroid (NEA) mission study, and the potential payload to be hosted by the Asteroid Redirect Mission (ARM). Here we make the case for in situ asteroid characterization with Moessbauer spectroscopy on the ARM employing one of three available fully-qualified flight-spare Moessbauer instruments.

  1. Synchrotron-Radiation-Based Moessbauer Spectroscopy

    SciTech Connect

    Seto, Makoto; Masuda, Ryo; Mitsui, Takaya; Higashitaniguchi, Satoshi; Kitao, Shinji; Kobayashi, Yasuhiro; Inaba, Chika; Yoda, Yoshitaka

    2009-05-29

    We have developed a new method that yields Moessbauer absorption spectra using synchrotron radiation (SR); this method is applicable for almost all Moessbauer nuclides including those that cannot be measured by previous methods using radioisotope (RI) sources. The Moessbauer spectrum of the 68.752 keV excited state of {sup 73}Ge, which cannot be measured using a RI source, was measured using SR. Our results show that this method can be used to perform advanced Moessbauer spectroscopy measurements owing to the excellent features of SR.

  2. 57Fe Mössbauer spectroscopy on hydrogenated ScFe2

    NASA Astrophysics Data System (ADS)

    Smit, P. H.; Donkersloot, H. C.; Bushchow, K. H. J.

    1982-03-01

    The intermetallic compound ScFe2 is capable of absorping large amounts of hydrogen, which can be derived from the measured absorption isotherm and from the lattice constant before and after charging. The magnetic properties of ScFe2 are sensitive to small variations in the stoichiometry and are changed significantly after hydrogen absorption. Magnetization measurements and 57Fe Mössbauer spectroscopy have been performed on the stoichiometric composition and a composition somewhat excessive in iron. The increase in magnetic moment and hyperfine field at the iron nuclei are much smaller for the off-stoichiometric compound. From the temperature dependence of the Mössbauer spectra it is concluded that this effect is due to a difference between the two compositions in the occupation of the various interstitial holes by the hydrogen atoms. In the stoichiometric compounds an efficient shielding of the iron sublattice from the scandium sublattice results from a preferential, symmetric filling of the interstitial holes. In the off-stoichiometric composition the shielding is much less effective, since a fraction of the iron atoms occupy scandium positions and thereby affect the occupation of many interstitial holes.

  3. Low temperature fluorination of Sr{sub 3}Fe{sub 2}O{sub 7-x} with polyvinylidine fluoride: An X-ray powder diffraction and Moessbauer spectroscopy study

    SciTech Connect

    Hancock, Cathryn A.; Herranz, Tirma; Marco, Jose F.; Berry, Frank J.; Slater, Peter R.

    2012-02-15

    Fluorination of the Ruddlesden Popper phase, Sr{sub 3}Fe{sub 2}O{sub 7-x} by heat treatment with polyvinylidine fluoride (PVDF) gives a range of novel oxide fluoride compounds. Fluorination with 1 mol equivalent PVDF leads to a filling of the normal Ruddlesden Popper structure anion sites and a material of composition Sr{sub 3}Fe{sub 2}O{sub 5+x}F{sub 2-x} (x Almost-Equal-To 0.28(4)) which contains both Fe{sup 4+} and Fe{sup 3+}. Increasing the amount of PVDF to 2 mol equivalent leads to an increase in anion content due to filling of half the interstitial sites within the structure, with iron being completely reduced to Fe{sup 3+} leading to a composition Sr{sub 3}Fe{sub 2}O{sub 4}F{sub 4}. An increase in the amount of PVDF to Almost-Equal-To 3 mol equivalent leads to a further increase in unit cell volume, attributed to complete filling of the interstitial sites and a composition Sr{sub 3}Fe{sub 2}O{sub 3}F{sub 6}. {sup 57}Fe Moessbauer spectra in the temperature range 10-300 K demonstrated the complexity of the magnetic interactions in each of the three phases which reflect different local compositions of oxygen and fluorine around the iron ions thus influencing the superexchange pathways. - Graphical abstract: Low temperature (375 Degree-Sign C) fluorination of Sr{sub 3}Fe{sub 2}O{sub 7-x} with poly(vinylidene fluoride) leads to the production of three new Ruddlesden Popper oxide fluorides with progressive filling of the anion sites within the structure. Highlights: Black-Right-Pointing-Pointer The fluorination of Sr{sub 3}Fe{sub 2}O{sub 7-x} using PVDF. Black-Right-Pointing-Pointer The control of the fluorine content with amount of PVDF used. Black-Right-Pointing-Pointer The synthesis of three new Fe based oxide fluorides. Black-Right-Pointing-Pointer The identification of the structures of these oxide fluorides.

  4. Noncollinear Fe spin structure in (Sm-Co)/Fe exchange-spring bilayers: layer-resolved {sup 57}Fe Mssbauer spectroscopy and electronic structure calculations.

    SciTech Connect

    Uzdin, V. M.; Vega, A.; Khrenov, A.; Keune, W.; Kuncser, V. E.; Jiang, J. S.; Bader, S. D.

    2012-01-01

    Magnetization reversal in nanoscale (Sm-Co)/Fe (hard/soft) bilayer exchange-spring magnets with in-plane uniaxial magnetic anisotropy was investigated by magnetometry, conversion-electron Moessbauer spectroscopy (CEMS) and atomistic Fe spin-structure calculations. Magnetization loops along the easy direction exhibit signatures typical of exchange-spring magnets. In-field CEMS at inclined {gamma}-ray incidence onto thin (2 nm) {sup 57}Fe probe layers embedded at various depths in the 20-nm-thick natural (soft) Fe layer provides depth-dependent information (via the line-intensity ratio R{sub 23} as a function of the applied field H) about the in-plane rotation of Fe spins. A minimum in the R{sub 23}-vs-H dependence at (H{sub min}, R{sub min}) determines the field where Fe magnetic moments roughly adopt an average perpendicular orientation during their reversal from positive to negative easy-axis orientation. A monotonic decrease of H{sub min} with distance from the hard/soft interface is observed. Rotation of Fe spins takes place even in the interface region in applied fields far below the field of irreversible switching, H{sub irr}, of the hard phase. Formation of an Fe-Co alloy is detected in the interface region. For comparison, the noncollinear Fe spin structure during reversal and the resulting R{sub 23} ratio were obtained by electronic-structure calculations based on a quantum-mechanical Hamiltonian for itinerant electrons. The coupling at the hard/soft interface is described by the uniaxial exchange-anisotropy field, hint, as a parameter. Our calculated R{sub 23} ratios as a function of the (reduced) applied field h exhibit similar features as observed in the experiment, in particular a minimum at (h{sub min}, R{sub min}). R{sub min} is found to increase with hint, thus providing a measure of the interface coupling. Evidence is provided for the existence of fluctuations of the interface coupling. The calculations also show that the Fe spin spiral formed

  5. Observation of Enhancement of the Morin Transition Temperature in Iridium-Doped α-Fe2O3 Thin Film by 57Fe-Grazing Incidence Synchrotron Radiation Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Mitsui, Takaya; Mibu, Ko; Seto, Makoto; Kurokuzu, Masayuki; Pati, Satya Prakash; Nozaki, Tomohiro; Sahashi, Masashi

    2016-06-01

    The Morin transition of a (0001)-oriented iridium-doped α-Fe2O3 thin film deposited on an Al2O3(0001) substrate was studied by 57Fe-grazing incidence synchrotron radiation Mössbauer spectroscopy (GISRMS). Temperature-dependent spectra proved that the iridium doping markedly enhanced the Morin temperature of the α-Fe2O3 thin film; the iron spin directions were perpendicular to the film plane at temperatures below 100 °C, while they were in-plane at temperatures above 150 °C. The antiferromagnetic ordering was maintained far above 400 °C. The results demonstrated the availabilities of 57Fe-GISRMS, which enables a very quick evaluation of the magnetism in antiferromagnetic ultrathin films at high temperatures.

  6. Electronic state of 57Fe used as Mössbauer probe in the perovskites LaMO 3 ( M=Ni and Cu)

    NASA Astrophysics Data System (ADS)

    Presniakov, Igor; Demazeau, Gérard; Baranov, Alexei; Sobolev, Alexei; Gubaidulina, Tatyana; Rusakov, Viyacheslav

    2007-11-01

    For the first time a comparative study of rhombohedral LaNiO 3 and LaCuO 3 oxides, using 57Fe Mössbauer probe spectroscopy (1% atomic rate), has been carried out. In spite of the fact that both oxides are characterized by similar crystal structure and metallic properties, the behavior of 57Fe probe atoms in such lattices appears essentially different. In the case of LaNi 0.99Fe 0.01O 3, the observed isomer shift ( δ) value corresponds to Fe 3+ (3 d5) cations in high-spin state located in an oxygen octahedral surrounding. In contrast, for the LaCu 0.99Fe 0.01O 3, the obtained δ value is comparable to that characterizing the formally tetravalent high-spin Fe 4+(3 d4) cations in octahedral coordination within Fe(IV) perovskite-like ferrates. To explain such a difference, an approach based on the qualitative energy diagrams analysis and the calculations within the cluster configuration interaction method have been developed. It was shown that in the case of LaNi 0.99Fe 0.01O 3, electronic state of nickel is dominated by the d7 configuration corresponding to the formal ionic "Ni 3+-O 2-" state. On the other hand, in the case of LaCu 0.99Fe 0.01O 3 a large amount of charge is transferred via Cu-O bonds from the O:2 p bands to the Cu:3 d orbitals and the ground state is dominated by the d9L configuration ("Cu 2+-O" state). The dominant d 9L ground state for the (CuO 6) sublattice induces in the environment of the 57Fe probe cations a charge transfer Fe 3++O -( L)→Fe 4++O 2-, which transforms "Fe 3+" into "Fe 4+" state. The analysis of the isomer shift value for the formally "Fe 4+" ions in perovskite-like oxides clearly proved a drastic influence of the 4 s iron orbitals population on the Fe-O bonds character.

  7. Observation of Flux-Grown α-Fe2O3 Single Crystal at the Morin Transition by 57Fe Synchrotron Radiation Mössbauer Diffraction

    NASA Astrophysics Data System (ADS)

    Mitsui, Takaya; Nakamura, Shin; Ikeda, Naoshi; Fujiwara, Kosuke; Masuda, Ryo; Kobayashi, Yasuhiro; Seto, Makoto

    2016-05-01

    The Morin transition of a high-quality flux-grown single crystal of α-Fe2O3 was studied by 57Fe synchrotron radiation Mössbauer diffraction. The measured rocking curves and Mössbauer spectra gave direct evidence that the coexistence of magnetic phases during the Morin transition occurred over a wide temperature range. The complex magnetic structure at the phase coexistence induced a large magnetostrictive distortion in the α-Fe2O3 crystal surface. In contrast, however, when the antiferromagnetic phase was dominant at low temperatures, the distortion disappeared, and the initial high crystal perfection was recovered. The spectral line shapes were discussed in terms of the interference between electronic and nuclear scatterings.

  8. Mössbauer emission measurements on highly dilute ^{57}Fe impurities in the high T_C superconductors La{2 -x}SrxCuO4

    NASA Astrophysics Data System (ADS)

    Garcin, C.; Imbert, P.; Bonville, P.; Hodges, J. A.

    1994-12-01

    Mössbauer emission measurements on quasi-isolated ^{57}Fe impurities substituted for Cu in La{2-x}SrxCuO4 show a rapid change in the local magnetic behaviour when the Sr content x exceeds an effective value x_t, which is roughly at the centre of the superconducting x range in the phase diagram For x < x_t, the Fe^{3+} impurity systematically pins a Cu spinglass cluster where the spins are oriented near the basal plane, with a freezing temperature of 8 ± 1 K with respect to the characteristic time scale of the Mössbauer probe. For x > x_t, the probe no longer detects local antiferromagnetic ordering, but it reveals the presence of an induced locahzed magnetization in the Cu sublattice, which is preferentially oriented near the {bar c} axis for the largest x values. The results are discussed and compared with other available measurements, including our previous ^{57}Fe Mössbauer absorption study in the saine sertes. Des expériences d'émission Mössbauer effectuées sur des impuretés quasi-isolées de ^{57}Fe substituées à Cu dans La{2-x}Sr{x}CuO4 montrent un changement rapide du comportement magnétique local quand la teneur x en Sr excède une valeur effective x_t, située approximativement au centre du domaine en x associé à la supraconductivité dans le diagramme de phase. Pour x < x_t, l'impureté de Fe^{3+} s'entoure systématiquement d'une zone verre de spin, où les spins du cuivre s'orientent au voisinage du plan de base, avec une température de gel de 8 ± 1 K vis-à-vis du temps de réponse caractéristique de la sonde Mössbauer. Pour x > x_t, la sonde ne détecte plus d'ordre antiferromagnétique local, mais elle révèle l'existence d'une aimantation locale induite dans le sous-réseau du cuivre, qui présente une orientation préférentielle suivant l'axe {bar c} pour les valeurs de x les plus grandes. Les résultats sont discutés et comparés aux autres mesures disponibles, y compris celles de notre étude précédente par absorption M

  9. Moessbauer and magnetic studies of the ternary compound FeIn{sub 2}Se{sub 4}

    SciTech Connect

    Bodnar, I. V. Pauliukavets, S. A.; Trukhanov, S. V.; Fedotova, Yu. A.

    2012-05-15

    Single crystals of the ternary compound FeIn{sub 2}Se{sub 4} are grown by directional crystallization of the melt. The composition and structure of the single crystals are determined. The local states of iron ions in this compound are studied by nuclear {gamma}-resonance spectroscopy in transmission configuration. The temperature and field dependences of a specific magnetic moment for the ternary compound FeIn{sub 2}Se{sub 4} are measured in the temperature range 4-310 K in magnetic fields of 0-140 kOe. The reasons and mechanisms for magnetic state formation in single crystals of the obtained compound are discussed.

  10. Moessbauer studies in zinc-manganese ferrites for use in measuring small velocities and accelerations with great precision

    NASA Technical Reports Server (NTRS)

    Escue, W. T.; Gupta, R. G.; Mendiratta, R. G.

    1975-01-01

    Mossbauer spectroscopy was used for a systematic study of the magnetic behavior of manganese and zinc in mixed ferrites. It was observed that Zn2+ has preference to substitute Mn2+ at interstitial sites where the metal ions are tetrahedrally coordinated with four oxygen neighbors. The internal magnetic hyperfine field at the tetrahedral iron site is larger than that at the octahedral site. The relaxation effects were observed to play an important role as the zinc contents were increased, while the spin-correlation time and the magnetic field were observed to decrease in strength. It is concluded that Mossbauer effect data on complex materials, when used in conjunction with other data, can provide useful insight into the origin of the microscopic properties of magnetic materials.

  11. 57Fe NGR studies on three-stage hydroliquefaction of coals

    NASA Astrophysics Data System (ADS)

    Jamond, M.; Bacaud, R.; Bussiere, P.; Charcosset, H.; Nickel-Pepin-Donat, B.

    1990-06-01

    Iron Mössbauer spectroscopy has been performed on liquefaction residues of two different French coals. In a three-stage liquefaction of high volatile bituminous coal (Freyming), without an added catalyst, the coal pyrite is not entirely converted into pyrrhotites, whereas in the presence of an added catalyst, coal pyrite is totally transformed into more dispersed pyrrhotites than those from the sample without an added catalyst; furthermore, the whole added catalyst precursor is reduced into pyrrhotites. In the case of liquefaction of subbituminous coal (Gardanne), full conversion of coal pyrite into pyrrhotites (even without an added catalyst) occurs. In addition, in the presence of the added catalyst, besides pyrrhotites, FeS is evidenced. When molybdenum-iron oxide is added as a catalyst precursor, no mixed Fe-Mo phase is detected.

  12. Large low-energy M1 strength for ^{56,57}Fe within the nuclear shell model.

    PubMed

    Brown, B Alex; Larsen, A C

    2014-12-19

    A strong enhancement at low γ-ray energies has recently been discovered in the γ-ray strength function of ^{56,57}Fe. In this work, we have for the first time obtained theoretical γ decay spectra for states up to ≈8  MeV in excitation for ^{56,57}Fe. We find large B(M1) values for low γ-ray energies that provide an explanation for the experimental observations. The role of mixed E2 transitions for the low-energy enhancement is addressed theoretically for the first time, and it is found that they contribute a rather small fraction. Our calculations clearly show that the high-ℓ(=f) diagonal terms are most important for the strong low-energy M1 transitions. As such types of 0ℏω transitions are expected for all nuclei, our results indicate that a low-energy M1 enhancement should be present throughout the nuclear chart. This could have far-reaching consequences for our understanding of the M1 strength function at high excitation energies, with profound implications for astrophysical reaction rates.

  13. Spectroscopic characterization of 57Fe-reconstituted rubrerythrin, a non-heme iron protein with structural analogies to ribonucleotide reductase.

    PubMed

    Ravi, N; Prickril, B C; Kurtz, D M; Huynh, B H

    1993-08-24

    Rubrerythrin, a contraction of rubredoxin and hemerythrin, is the trivial name given to a non-heme iron protein isolated from Desulfovibrio vulgaris (Hildenborough). This protein, whose physiological function is unknown, was first characterized by J. LeGall et al. [(1988) Biochemistry 28, 1636] as being a homodimer of subunit M(r) = 21,900 with four Fe per homodimer distributed as two rubredoxin-type FeS4 centers and one hemerythrin-type diiron cluster. Subsequent analysis of the amino acid sequence of the rubrerythrin gene [Kurtz, D. M., Jr., & Prickril, B.C. (1991) Biochem. Biophys. Res. Commun. 181, 137] revealed an internal homology which suggested that each subunit can accommodate one diiron cluster. Here, we report a procedure for reconstitution of the as-isolated D. vulgaris rubrerythrin with 57Fe. The reconstituted protein was characterized by optical, electron paramagnetic resonance, and Mössbauer spectroscopies. The results indicate successful incorporation of 57Fe into the two types of sites and strongly suggest that each subunit of rubrerythrin can indeed accommodate one diiron cluster as well as one rubredoxin-type center. Combined with amino acid sequence analysis, the spectroscopic characterization further suggests that the rubrerythrin subunit contains a diiron site whose structure is more closely related to that in ribonucleotide reductase than to that in hemerythrin.

  14. 57Fe Mössbauer spectroscopy, X-ray single-crystal diffractometry, and electronic structure calculations on natural alexandrite

    NASA Astrophysics Data System (ADS)

    Weber, Sven-Ulf; Grodzicki, Michael; Lottermoser, Werner; Redhammer, Günther J.; Tippelt, Gerold; Ponahlo, Johann; Amthauer, Georg

    2007-09-01

    Natural alexandrite Al2BeO4:Cr from Malyshevo near Terem Tschanka, Sverdlovsk, Ural, Russia, has been characterized by 57Fe Mössbauer spectroscopy, electron microprobe, X-ray single-crystal diffractometry and by electronic structure calculations in order to determine oxidation state and location of iron. The sample contains 0.3 wt% of total iron oxide. The 57Fe Mössbauer spectrum can be resolved into three doublets. Two of them with hyperfine parameters typical for octahedrally coordinated high-spin Fe3+ and Fe2+, respectively, are assigned to iron substituting for Al in the octahedral M2-site. The third doublet is attributed to Fe3+ in hematite. Electronic structure calculations in the local spin density approximation are in reasonable agreement with experimental data provided that expansion and/or distortion of the coordination octahedra are presumed upon iron substitution. The calculated hyperfine parameters of Fe3+ are almost identical for the M1 and M2 positions, but the calculated ligand-field splitting is by far too large for high-spin Fe3+ on M1.

  15. Zero-Field Spin-Echo Nuclear Magnetic Resonance and Moessbauer Spectroscopy Studies on the Enhancement of the Magnetic Properties of the SAMARIUM(2)

    NASA Astrophysics Data System (ADS)

    Potenziani, Ernest, II

    The Sm(,2)(Co,Fe,Cu,Zr,Cr)(,14.8) - type permanent magnets have been investigated by ('57)Fe Mossbauer spectroscopy and ('149)Sm and ('59)Co zero-field spin-echo NMR techniques. A complete set of samples, varying in complexity and heat treatment, were prepared and examined. The following findings were obtained: (1) the addition of copper serves to precipitate out iron and cobalt with the replacement of the transition metals by the copper, (2) the addition of iron causes some substitutional displacement of the cobalt with the remaining iron forming an Fe-Co phase, (3) a further removal of the free iron is accomplished by the addition of zirconium and a subsequent step anneal, (4) the second and more important role of the zirconium is known to be an increase in the coercive force. The results herein indicate that the zirconium preferentially substitutes into the 1:5 phase, replacing the samarium, and degrading the magnetic properties of the cellular boundary 1:5 phase--causing it to exert a more effective pinning of the domain walls, in agreement with experimental findings, (5) the addition of chromium with zirconium causes a preferential substitution of iron into the 4f crystal site of the 2:17 phase, thereby increasing the anisotropy and facilitating the removal of the Fe-Co phase.

  16. The quantitative determination of FeS2 phases in coal by means of 57Fe Mössbauer spectroscopy

    USGS Publications Warehouse

    Evans, B.J.; King, Hobart M.; Renton, John J.; Stiller, A.

    1990-01-01

    A knowledge of the concentration of pyrite and marcasite in coals can provide important insight into the genesis of coal deposits. Determinations of the relative amounts of pyrite and marcasite by traditional methods of coal analysis are, however, beset with many difficulties. Using 57Fe Mössbauer spectroscopy and a mild chemical treatment with hydrofluoric acid, a technique has been devised for the quantitative determination of the relative concentrations of pyrite and marcasite in samples of whole coals or their low-temperature ashes. The sample preparation procedure is comparable to less accurate methods. Good qualitative agreement has been obtained between ore microscopic and Mössbauer spectroscopic techniques for a series of extensively investigated whole coal samples.

  17. Inelastic scattering in condensed matter with high intensity Moessbauer radiation

    NASA Astrophysics Data System (ADS)

    Yelon, W. B.; Schupp, G.

    1991-05-01

    We give a progress report for the work which has been carried out in the last three years with DOE support. A facility for high-intensity Moessbauer scattering is not fully operational at the University of Missouri Research Reactor (MURR) as well as a facility at Purdue, using special isotopes produced at MURR. High precision, fundamental Moessbauer effect studies have been carried out using Bragg scattering filters to suppress unwanted radiation. These have led to a Fourier transform method for describing Moessbauer effect (ME) lineshape and a direct method of fitting ME data to the convolution integral. These methods allow complete correction for source resonance self absorption and the accurate representation of interference effects that add an asymmetric component to the ME lines. We have begun applying these techniques to attenuated ME sources whose central peak has been attenuated by stationary resonant absorbers, to make a novel independent determination of interference parameters and line-shape behavior in the resonance asymptotic region. This analysis is important to both fundamental ME studies and to scattering studies for which a deconvolution is essential for extracting the correct recoilless fractions and interference parameters. A number of scattering studies have been successfully carried out including a study of the thermal diffuse scattering in Si, which led to an analysis of the resolution function for gamma-ray scattering. Also studied was the anharmonic motion in Na metal and the charge density wave satellite reflection Debye-Waller factor in TaS2, which indicate phason rather than phonon behavior. Using a specially constructed sample cell which enables us to vary temperatures from -10 C to 110 C, we have begun quasielastic diffusion studies in viscous liquids and current results are summarized. Included are the temperature and Q dependence of the scattering in pentadecane and diffusion in glycerol.

  18. Thermal History of São João Nepomuceno (IVA) Iron Meteorite Inferred from Ganguly's Cooling Rate Model and 57Fe Mössbauer Spectroscopy Data

    NASA Astrophysics Data System (ADS)

    dos Santos, E.; Scorzelli, R. B.; Varela, M. E.

    2016-08-01

    The intracrystalline Fe-Mg distribution in orthopyroxenes, as measured by means of 57Fe Mössbauer spectroscopy and associated to Ganguly’s cooling rate numerical method, are used to infer the thermal history of São João Nepomuceno (IVA) meteorite.

  19. Evaluation of Fe uptake and translocation in transgenic and non-transgenic soybean plants using enriched stable (57)Fe as a tracer.

    PubMed

    Oliveira, Silvana R; Menegário, Amauri A; Arruda, Marco A Z

    2014-10-01

    A tracer experiment is carried out with transgenic T (variety M 7211 RR) and non-transgenic NT (variety MSOY 8200) soybean plants to evaluate if genetic modification can influence the uptake and translocation of Fe. A chelate of EDTA with enriched stable (57)Fe is applied to the plants cultivated in vermiculite plus substrate and the (57)Fe acts as a tracer. The exposure of plants to enriched (57)Fe causes the dilution of the natural previously existing Fe in the plant compartments and then the changed Fe isotopic ratio ((57)Fe/(56)Fe) is measured using a quadrupole-based inductively coupled plasma mass spectrometer equipped with a dynamic reaction cell (DRC). Mathematical calculations based on the isotope dilution methodology allow distinguishing the natural abundance Fe from the enriched Fe (incorporated during the experiment). The NT soybean plants acquire higher amounts of Fe from natural abundance (originally present in the soil) and from enriched Fe (coming from the (57)Fe-EDTA during the experiment) than T soybean ones, demonstrating that the NT soybean plants probably absorb higher amounts of Fe, independently of the source. The percentage of newly incorporated Fe (coming from the treatment) was approximately 2.0 and 1.1% for NT and T soybean plants, respectively. A higher fraction (90.1%) of enriched Fe is translocated to upper parts, and a slightly lower fraction (3.8%) is accumulated in the stems by NT plants than by T ones (85.1%; 5.1%). Moreover, in both plants, the Fe-EDTA facilitates the transport and translocation of Fe to the leaves. The genetic modification is probably responsible for differences observed between T and NT soybean plants.

  20. Analysis of Moessbauer Data from Mars: A Database and Artificial Neural Network for Identification of Iron-bearing Phases

    NASA Technical Reports Server (NTRS)

    Morris, R. V.; deSouza, P. A.; Morris, R. V.; Klingelhoefer, G.

    2003-01-01

    The exploration of the planet Mars is one of the major goals within the Solar system exploration programs of the US-American space agency NASA and the European Space Agency ESA. In particular the search for water and life and understanding of the history of the surface and atmosphere will be the major tasks of the upcoming space missions to Mars. The miniaturized Moessbauer spectrometer MIMOS II has been selected for the NASA Mars-Exploration-Rover twin-mission to Mars in 2003 and the ESA 2003 Mars-Express Beagle 2 mission. Reduced in size and weight, in comparison to ordinary laboratory setup, the sensor head just weights approximately 400 g, with a volume of (50x50x90) cu mm, and holds two gamma-ray sources: the stronger for experiments and the weaker for calibrations. The collimator (in sample direction) also shields the primary radiation off the detectors. Around the drive four detectors are mounted. The detectors are made of Si-PIN-photodiodes in chip form (100 sq mm, thickness of 0.5 mm). The control unit is located in a separate electronics board. This board is responsible for the power supply, generation of the drive's velocity reference signal, read of the detector pulses to record the spectrum, data storage and communication with the host computer. After more than four decades from the discovery of the Moessbauer effect, more than 400 minerals were studied at different temperatures. Their Moessbauer parameters were reported in the literature, and have been recently collected in a data bank. Previous Mars-missions, namely Viking and Mars Pathfinder, revealed Si, Al, Fe, Mg, Ca, K, Ti, S and Cl to be the major constituents in soil and rock elemental composition of the red planet. More than 200 minerals already studied by Moessbauer spectroscopy contain significant amounts of these elements. A considerable number of Moessbauer studies were also carried out on meteorites and on Moon samples. Looking backward in the studies of the whole Moessbauer community

  1. Mechanical strength and local structure of 'new' Hagi porcelain investigated by 57Fe-Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Kubuki, S.; Uehara, H.; Akagi, K.; Mikuni, A.; Isobe, N.; Homonnay, Z.; Sinkó, K.; Kuzmann, E.; Nishida, T.

    2010-03-01

    A relationship between the local structure and mechanical strength of 'new' Hagi porcelain 'A' and 'B' prepared by sintering two types of iron containing aluminosilicate soils under oxidizing and reducing atmospheres were investigated by means of 57Fe-Mössbauer spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), as well as three point bending test. The largest mechanical strength (σ) value of 64.3±3.1 MPa was estimated from the three-point bending test of reductively sintered Hagi porcelain 'A'. The Mössbauer spectrum was composed of two paramagnetic doublets due to tetrahedral FeII FeIII with the isomer shift (δ) values of 1.13±0.02 and 0.31±0.01 mm s-1. On the other hand, a paramagnetic doublet and a magnetic sextet with the δ values of 0.30±0.01 and 0.35±0.02 mm s-1 were observed from the Mössbauer spectra of other samples. It can be concluded that the mechanically strengthened Hagi porcelain was successfully fabricated by choosing soil 'A' and by sintering under a reducing atmosphere.

  2. Sensitivity of 57Fe emission Mössbauer spectroscopy to Ar and C induced defects in ZnO

    NASA Astrophysics Data System (ADS)

    Bharuth-Ram, K.; Mølholt, T. E.; Langouche, G.; Geburt, S.; Ronning, C.; Doyle, T. B.; Gunnlaugsson, H. P.; Johnston, K.; Mantovan, R.; Masenda, H.; Naidoo, D.; Ncube, M.; Gislason, H.; Ólafsson, S.; Weyer, G.

    2016-12-01

    Emission Mössbauer Spectroscopy (eMS) measurements, following low fluence (<1012 cm-2) implantation of 57Mn (t 1/2 = 1.5 min.) into ZnO single crystals pre-implanted with Ar and C ions, has been utilized to test the sensitivity of the 57Fe eMS technique to the different types of defects generated by the different ion species. The dominant feature of the Mössbauer spectrum of the Ar implanted ZnO sample was a magnetic hyperfine field distribution component, attributed to paramagnetic Fe3+, while that of the C implanted sample was a doublet attributed to substitutional Fe2+ forming a complex with the C dopant ions in the 2- state at O vacancies. Magnetization measurements on the two samples, on the other hand, yield practically identical m(H) curves. The distinctly different eMS spectra of the two samples display the sensitivity of the probe nucleus to the defects produced by the different ion species.

  3. Theoretical 57Fe Mössbauer spectroscopy: isomer shifts of [Fe]-hydrogenase intermediates.

    PubMed

    Hedegård, Erik Donovan; Knecht, Stefan; Ryde, Ulf; Kongsted, Jacob; Saue, Trond

    2014-03-14

    Mössbauer spectroscopy is an indispensable spectroscopic technique and analytical tool in iron coordination chemistry. The linear correlation between the electron density at the nucleus ("contact density") and experimental isomer shifts has been used to link calculated contact densities to experimental isomer shifts. Here we have investigated relativistic methods of systematically increasing sophistication, including the eXact 2-Component (X2C) Hamiltonian and a finite-nucleus model, for the calculation of isomer shifts of iron compounds. While being of similar accuracy as the full four-component treatment, X2C calculations are far more efficient. We find that effects of spin-orbit coupling can safely be neglected, leading to further speedup. Linear correlation plots using effective densities rather than contact densities versus experimental isomer shift lead to a correlation constant a = -0.294 a0(-3) mm s(-1) (PBE functional) which is close to an experimentally derived value. Isomer shifts of similar quality can thus be obtained both with and without fitting, which is not the case if one pursues a priori a non-relativistic model approach. As an application for a biologically relevant system, we have studied three recently proposed [Fe]-hydrogenase intermediates. The structures of these intermediates were extracted from QM/MM calculations using large QM regions surrounded by the full enzyme and a solvation shell of water molecules. We show that a comparison between calculated and experimentally observed isomer shifts can be used to discriminate between different intermediates, whereas calculated atomic charges do not necessarily correlate with Mössbauer isomer shifts. Detailed analysis reveals that the difference in isomer shifts between two intermediates is due to an overlap effect.

  4. 57 Fe Mössbauer and X-ray characterisation of sandstones

    NASA Astrophysics Data System (ADS)

    Mulaba-Bafubiandi, A. F.; Waanders, F. B.

    2013-04-01

    Sandstones from the Free State province in South Africa have been mined and processed mainly by small scale and artisanal miners in the rural areas. In the present investigation basic fire proof and water absorption tests, X-ray and γ-ray based characterisation techniques were used to study the sandstones. The collected samples were grouped according to their apparent colour in day light conditions and the elemental analysis showed the presence of a high amount of oxygen (>52%) and silicon (>38%) with Mn, Al, Fe and Ca as major elements in proportions related to the colour distribution of the various sandstones. The uniaxial compressive stress was found to be the highest (56 MPa) for the greyish sandstone and the lowest (8 MPa) for the white sandstone sample, also associated with the lowest (Al+Fe)/Si value of 0.082. The humidity test showed that the 6 % water absorption was lower than the recommended ASTM value of 8 %. The sandstone samples were also subjected to various high temperatures to simulate possible fire conditions and it was found that the non alteration of the mineral species might be one of the reasons why the sandstones are regarded as the most refractory amongst the building materials typically used. Mössbauer spectroscopy revealed that iron is present in all the sandstones, mainly as Fe3 + with the black sandstone showing an additional presence of 3 % Fe2 + indicating that a higher iron content coupled to higher silicon content, contributes to an increase in the uniaxial compressive strength.

  5. Fe-implanted 6H-SiC: Direct evidence of Fe{sub 3}Si nanoparticles observed by atom probe tomography and {sup 57}Fe Mössbauer spectroscopy

    SciTech Connect

    Diallo, M. L.; Fnidiki, A. Lardé, R.; Cuvilly, F.; Blum, I.; Lechevallier, L.; Debelle, A.; Thomé, L.; Viret, M.; Marteau, M.; Eyidi, D.; Declémy, A.

    2015-05-14

    In order to understand ferromagnetic ordering in SiC-based diluted magnetic semiconductors, Fe-implanted 6H-SiC subsequently annealed was studied by Atom Probe Tomography, {sup 57}Fe Mössbauer spectroscopy and SQUID magnetometry. Thanks to its 3D imaging capabilities at the atomic scale, Atom Probe Tomography appears as the most suitable technique to investigate the Fe distribution in the 6H-SiC host semiconductor and to evidence secondary phases. This study definitely evidences the formation of Fe{sub 3}Si nano-sized clusters after annealing. These clusters are unambiguously responsible for the main part of the magnetic properties observed in the annealed samples.

  6. Interplay of magnetism and superconductivity in EuFe2(As1-xPx)2 single crystals probed by muon spin rotation and 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Goltz, T.; Kamusella, S.; Jeevan, H. S.; Gegenwart, P.; Luetkens, H.; Materne, P.; Spehling, J.; Sarkar, R.; Klauss, H.-H.

    2014-12-01

    We present our results of a local probe study on EuFe2(As1-xPx)2 single crystals with x=0.13, 0.19 and 0.28 by means of muon spin rotation and 57Fe Mössbauer spectroscopy. We focus our discussion on the sample with x=0.19 viz. at the optimal substitution level, where bulk superconductivity (TSC = 28 K) sets in above static europium order (TEu = 20 K) but well below the onset of the iron antiferromagnetic (AFM) transition (~100 K). We find enhanced spin dynamics in the Fe sublattice closely above TSC and propose that these are related to enhanced Eu fluctuations due to the evident coupling of both sublattices observed in our experiments.

  7. Inelastic scattering in condensed matter with high intensity Moessbauer radiation. Final technical report, December 1, 1989--November 30, 1992

    SciTech Connect

    Yelon, W.B.; Schupp, G.

    1993-02-01

    The QUEGS facility at MURR has produced a number of new results and demonstrated the range of potential applications of high resolution, high intensity Moessbauer scattering. This work has been carried out by both MU and Purdue researchers and includes published results on Na, W, pentadecane, polydimethylsiloxane and other systems, manuscripts submitted on alkali halides (Phys. Rev. B) and accurate Moessbauer lineshape measurements (Phys. Rev. C), and manuscripts in preparation on glycerol, NiAl and Moessbauer spectra obtained by modulating a scattering crystal. Recently, new collaborations have been initiated which will substantially enhance our efforts. These are with W. Steiner (Vienna), G. Coddens (Saclay), and R. D. Taylor (Los Alamos). Steiner is experienced with Fe-57 Moessbauer scattering, while Coddens specializes in quasielastic neutron scattering; both of these areas naturally complement our work. R. D. Taylor has pioneered Moessbauer spectroscopy from the time of its discovery and has already made important contributions to our study of lattice dynamics and superconductivity for lead alloyed with small quantities of tin. At the same time, a significant instrument upgrade is underway, funded in part by the DOE-URIP program.

  8. Local structure and hyperfine interactions of 57Fe and 119Sn atoms in brownmillerite-like ferrite Sr 2Fe 1.98Sn 0.02O 5+ x

    NASA Astrophysics Data System (ADS)

    Presniakov, Igor; Sobolev, Alexey; Pokholok, Konstantin; Demazeau, Gérard M.; Baranov, Alexey

    2004-10-01

    Mössbauer spectroscopy has been applied for studying local environment of 57Fe and 119Sn probe atoms within tin-doped Sr2Fe1.98Sn0.02O5+x (x⩽0.02) ferrite with the brownmillerite-type structure. 57Fe Mössbauer spectra indicate no appreciable local distortions induced by the tin dopant atoms. The 119Sn spectra recorded below the magnetic ordering temperature (TN) can be described as a superposition of two Zeeman sextets, which indicate that Sn4+ dopant ions are located in two non-equivalent crystallographic and magnetic sites. The observed hyperfine parameters were discussed supposing Sn4+ cations to replace iron cations in the octahedral (SnO) and tetrahedral (SnT) sublattices. It has been supposed that Sn4+ cations being stabilized in the tetrahedral sublattice complete their nearest anion surrounding up to the octahedral oxygen coordination "SnT4+". Annealing of the Sr2Fe1.98Sn0.02O5+x in helium flux conditions at 950°C leads to formation of divalent Sn2+ cations with a simultaneous decrease of the contribution for the SnT4+ sub-spectrum. The parameters of combined electric and magnetic hyperfine interactions of the 119Sn2+ sub-spectrum underline that impurity atoms are stabilized in the sp3d-hybrid state in the oxygen distorted tetragonal pyramid. The analysis of the 119Sn spectra indicates a chemical reversibility of the processes SnT2+⇌SnT4+ within the tetrahedral sublattice of the brownmillerite-type ferrite.

  9. Moessbauer spectrometer for mineralogical analysis of the Mars surface: Moessbauer source considerations

    NASA Technical Reports Server (NTRS)

    Evlanov, E. N.; Frolov, V. A.; Prilutskii, O. F.; Veselova, G. V.; Rodin, A. M.; Klingelhoefer, G.

    1993-01-01

    Development of space rocketry and cosmic instrument making has made it possible to create interplanetary stations to be sent to the solar system bodies. In the last decade of the century the planet Mars will be in the focus of planetary science problems. Russia, USA (the NASA) and Europe (the ESA) plan to do a new step in the study of the planetary system by spacecraft missions to Mars. One part of the programs of these missions is Martian surface measurements of iron, which is a dominant element in both the Martian soil and rocks (about 13 percent by weight). The chemistry of iron in space is strongly coupled to the chemistry of abundant elements (to begin with hydrogen, carbon, oxygen) and it is this coupling of chemical cycles of abundant elements that gives us the possibility of understanding some features of the chemical evolution of matter. In this connection of extremely great importance for the understanding of the evolution of the solar system are the oxidation state of the iron and its mineral composition of the Mars surface. Being highly successful, the Viking landers had no instrumentation to answer these questions. Such instrumentation has to be specifically sensitive to mineralogy. For this purpose the back scattering Moessbauer spectrometer (MS-96) was proposed to be installed on a rover to be launched on board the Russian spacecraft Mars-96 mission to Mars. Due to power and mass restrictions three systems of the device MS-96 (velocity transducer, detector and electronic components) have been extremely miniaturized in comparison to a standard system. In this paper we intend to place for consideration a radioactive source to find out what characteristics it should have to be suitable for purposes of the experiment.

  10. The dynamics of 57Fe nuclei in Fe(II)-DNA and [Fe(II)(1-methyl-2-mercaptoimidazole)2]-DNA condensates.

    PubMed

    Silvestri, Arturo; Ruisi, Giuseppe; Girasolo, Maria Assunta

    2002-11-25

    Alcoholic solutions of FeCl(2) and Fe(II)(Hmmi)(2)Cl(2) (Hmmi=1-methyl-2-mercaptoimidazole) induce calf thymus DNA condensation from aqueous solutions buffered at pH 7.4. A 1:1 Fe(II)-(DNA monomer) stoichiometry is assumed. The (57)Fe Mössbauer hyperfine parameters suggest an octahedral coordination environment, severely distorted, in both Fe(II)-(DNA monomer) and [Fe(II)(Hmmi)(2)]-(DNA monomer) condensates. The dynamic properties of iron nuclei in freeze-dried samples were investigated by means of variable temperature (57)Fe Mössbauer spectroscopy. Mean square displacements, (T), were calculated, such as the effective vibrating mass and the Mössbauer lattice temperature of the solids. increases linearly with the temperature in the whole temperature range explored; the absolute values are typical for lattice or solid-state vibrations. Very similar values for the effective vibrating masses were extracted, suggesting comparable covalency of the bonding interaction between the metal atom and its ligands, while the Mössbauer lattice temperatures show a softening of the lattice for [Fe(II)(Hmmi)(2)]-(DNA monomer) with respect to Fe(II)-(DNA monomer) condensate.

  11. Moessbauer studies in Zn(2+)0.3 Mn(2+)0.7 Mn(3+) (2-y) Fe(3+) (2-y) O4

    NASA Technical Reports Server (NTRS)

    Gupta, R. G.; Mendiratta, R. G.; Escue, W. T.

    1975-01-01

    The Mossbauer effect has proven to be effective in the study of nuclear hyperfine interactions. Ferrite systems having the formula (Zn(2+)0.3)(Mn(2+)0.7)(Mn(3+)y)(Fe(3+)2-y)(O4) were prepared and studied. These systems can be interpreted as mangacese-doped zinc and a part of iron ions. A systematic study of these systems is presented to promote an understanding of their microstructure for which various theories were proposed.

  12. Mineralogical and Geochemical Analyses of Antarctic Lake Sediments: A Reflectance and Moessbauer Spectroscopy Study with Applications for Remote Sensing on Mars

    NASA Technical Reports Server (NTRS)

    Froeschl, Heinz; Lougear, Andre; Trautwein, Alfred X.; Newton, Jason; Doran, Peter T.; Koerner, Wilfried; Koeberl, Christian; Bishop, Janice (Technical Monitor); DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    Lakebottom sediments from the Dry Valleys region of Antarctica have been analyzed here in order to study the influence of water chemistry on the mineralogy and geochemistry of these sediments, as well as to evaluate techniques for remote spectral identification of potential biomarker minerals on Mars. Lakes from the Dry Valleys region of Antarctica have been investigated as possible analogs for extinct lake environments on early Mars. Sediment cores were collected in the present study from perennially ice-covered Lake Hoare in the Taylor Valley. These sediments were taken from a core in an oxic region of the lake and another core in an anoxic zone. Differences between the two cores were observed in the sediment color, Fe(II)/Fe(III) ratio, the presence of pyrite, the abundance of Fe, S and some trace elements, and the C, N and S isotope fractionation patterns. The results of visible-infrared reflectance spectroscopy (0.3-25 microns) Mossbauer spectroscopy (77 and 4 K) and X-ray diffraction are combined to determine the mineralogy and composition of these samples. The sediments are dominated by plagioclase, K-feldspar, quartz and pyroxene. Algal mats grow on the bottom of the lake and organic material has been found throughout the cores. Calcite is abundant in some layers of the aerobic core (shallow region) and pyrite is abundant in some layers of the anaerobic core (deep region). Analysis of the spectroscopic features due to organics and carbonates with respect to the abundance of organic C and carbonate contents was performed in order to select optimal spectral bands for remote identification of these components in planetary regoliths. Carbonate bands near 4 and 6.8 microns (approx.2500 and 1500/cm) were detected for carbonate abundances as low as 0.1 wt.% CO2. Organic features at 3.38, 3.42 and 3.51 microns (2960, 2925 and 2850/cm) were detected for organic C abundances as low as 0.06 wt.% C. The d13C trends show a more complex organic history for the anaerobic

  13. 57Fe Mössbauer spectroscopy of mineral assemblages in mantle spinel lherzolites from Cenozoic alkali basalt, eastern China: Petrological applications

    NASA Astrophysics Data System (ADS)

    Hao, Xi-Luo; Li, Yi-Liang

    2013-01-01

    Mineral assemblages in spinel lherzolite xenoliths from the Cenozoic alkali basalt of eastern China were analyzed by 57Fe Mössbauer spectroscopy for Fe3+/ΣFe and distribution of Fe2+/Fe3+ in non-equivalent crystal cites. Orthopyroxene, clinopyroxene and spinel have 0.08-0.13, 0.19-0.31 and 0.13-0.23 Fe3+/ΣFe, respectively. The cation-exchange equilibrium temperatures, Fe3+ partition coefficient and oxygen fugacity of the upper mantle peridotites were calculated. The equilibrium temperatures are between 1103 K and 1405 K consistent with those reported elsewhere. The oxygen fugacities of spinel lherzolites calculated with olivine-orthopyroxene-spinel (ΔlogƒO2 from - 1.1 to 0) and clinopyroxene-olivine-orthopyroxene oxybarometers (ΔlogƒO2 from - 2.0 to 0.7) are consistent with previously reported upper mantle values.

  14. Chemical bonding and quadrupole splittings of 57Fe Mössbauer spectrum in active sites of oxyhemoglobin as calculated by X α -discrete variation method

    NASA Astrophysics Data System (ADS)

    Yuryeva, E. I.

    2008-07-01

    Results of quantum-chemical X α -discrete variation method ( X α -DVM) calculations of interaction parameters between iron (II) and oxygen molecule in active sites of α- and β-subunits of oxyhemoglobin are presented within three models: without extra electron and in spin-unrestricted mode (model I); without extra electron and in spin-restricted mode (model II); with extra electrons in spin-unrestricted mode (model III). The electronic structure and 57Fe quadrupole splitting Δ E Q for the active site of α- and β-subunits (within model I) and only of the α-subunit (within models II and III) of oxyhemoglobin are calculated. The differences in Δ E Q values for these three models are discussed.

  15. Nuclear resonant scattering measurements on {sup 57}Fe by multichannel scaling with a 64-pixel silicon avalanche photodiode linear-array detector

    SciTech Connect

    Kishimoto, S. Haruki, R.; Mitsui, T.; Yoda, Y.; Taniguchi, T.; Shimazaki, S.; Ikeno, M.; Saito, M.; Tanaka, M.

    2014-11-15

    We developed a silicon avalanche photodiode (Si-APD) linear-array detector for use in nuclear resonant scattering experiments using synchrotron X-rays. The Si-APD linear array consists of 64 pixels (pixel size: 100 × 200 μm{sup 2}) with a pixel pitch of 150 μm and depletion depth of 10 μm. An ultrafast frontend circuit allows the X-ray detector to obtain a high output rate of >10{sup 7} cps per pixel. High-performance integrated circuits achieve multichannel scaling over 1024 continuous time bins with a 1 ns resolution for each pixel without dead time. The multichannel scaling method enabled us to record a time spectrum of the 14.4 keV nuclear radiation at each pixel with a time resolution of 1.4 ns (FWHM). This method was successfully applied to nuclear forward scattering and nuclear small-angle scattering on {sup 57}Fe.

  16. Search for 14.4 keV solar axions emitted in the M1-transition of {sup 57}Fe nuclei with CAST

    SciTech Connect

    Andriamonje, S.; Aune, S.; Dafni, T.; Ferrer-Ribas, E.; Autiero, D.; Barth, K.; Davenport, M.; Lella, L. Di; Belov, A.; Beltrán, B.; Carmona, J.M.; Cebrián, S.; Bräuninger, H.; Englhauser, J.; Friedrich, P.; Collar, J.I.; Eleftheriadis, C.; Fanourakis, G.; Fischer, H.; Franz, J.; Collaboration: CAST collaboration; and others

    2009-12-01

    We have searched for 14.4 keV solar axions or more general axion-like particles (ALPs), that may be emitted in the M1 nuclear transition of {sup 57}Fe, by using the axion-to-photon conversion in the CERN Axion Solar Telescope (CAST) with evacuated magnet bores (Phase I). From the absence of excess of the monoenergetic X-rays when the magnet was pointing to the Sun, we set model-independent constraints on the coupling constants of pseudoscalar particles that couple to two photons and to a nucleon g{sub aγ}|−1.19g{sub aN}{sup 0}+g{sub aN}{sup 3}| < 1.36 × 10{sup −16} GeV{sup −1} for m{sub a} < 0.03 eV at the 95% confidence level.

  17. The structural and geochemical constraints for the Fe(II)-Fe(III)-Mg(II) "fougerite" green rust: Moessbauer, XAS studies and solid solution modelling

    NASA Astrophysics Data System (ADS)

    Trolard, F.; Bourrié, G.

    2003-04-01

    Fe(II)-Fe(III) green rust was identified in soil as a natural mineral, for which the name "fougerite" was proposed. XAS and Mössbauer studies show that there is a partial substitution of Fe(II) by Mg(II), which leads to the general formula: [FeII1-xFeIII_xMgII_y(OH)2+2y]+x[x OH^- \\cdot (1-x+y)H_2O]-x. The regular binary solid solution model proposed previously must be extended as ternary. Assuming ideal substitution between Mg(II) and Fe(II), the chemical potential of the solid solution is obtained as: μ= X1μ 1o+X2μ 2o+X3μ 3o +RT[X_1 ln X_1 + X_2ln X_2+ X_3 ln X_3]+A12X_2(1-X_2). All experimental data show that the mole ration X_2= Fe(III)/[Fe{total} + Mg] is constrained (i) structurally to X_2<= 1/3 and (ii) geochemically to X_2 >= 1/4. Assuming that μ of GRs is minimum in this range leads to the equation: A12 = frac{[μ_1 o - μ_2 o - RT ln(frac{X2,min}{1-X2,min})]}{(1-2X2,min)}. The chemical potentials of pure Fe(OH)_2 and Mg(OH)_2 are known, but the end-member Fe(OH)_3 is virtual, so that μ_2 o is not measurable. A linear relationship is obtained between the Gibbs free energy of formation of GRs, normalized to 1 atom Fe, and the electronegativity of the interlayer anion, as: frac{μ^o}{n} = -76.887 χ -491.5206, r^2= 0.9985, N=4, from which the chemical potential of the mineral μ is obtained and all the thermodynamic parameters of the model are determined as: μ_1 o = -489.8 kJmol-1 for Fe(OH)_2, μ_2 o = +119 kJmol-1 for Fe(OH)_3 (virtual), μ_3 o = -833.67 kJmol-1 for Mg(OH)_2, and A12 = -1455.8 kJmol-1 (non-ideality parameter).

  18. (. mu. -1,1 prime -Bis(diphenylphosphine)ferrocene)bis(chlorogold): Synthesis, iron-57 and gold-197 Moessbauer spectroscopy, x-ray crystal structure, and antitumor activity

    SciTech Connect

    Hill, D.T.; Girard, G.R.; McCabe, F.L.; Johnson, R.K.; Eggleston, D.S. ); Stupik, P.D.; Zhang, J.H.; Reiff, W.M. )

    1989-09-06

    The title compound 2, Fdpp(AuCl){sub 2}, synthesized via the addition of Fdpp (1) to an aqueous solution of ((HOCH{sub 2}CH{sub 2}){sub 2}S)AuCl generated in situ by the thiodiglycol reduction of HAuCl{sub 4} showed a {sup 31}P({sup 1}H) NMR chemical shift at {delta} 27.39, which was downfield from that of 1 at {delta} -17.34 relative to (CH{sub 3}O)PO. The {sup 57}Fe Moessbauer spectrum of 2 is a doublet with parameters (IS = 0.50 mm/s relative to Fe, QS = 2.33 mm/s) similar to those of ferrocene. The {sup 197}Au Moessbauer spectrum of 2 is an asymmetric doublet (QS = 6.93 mm/s) with an IS of 3.81 mm/s relative to Au metal. Fdpp(AuCl){sub 2} crystallized in space group P{bar 1} with lattice constants a = 16.192 (4) {angstrom}, b = 16.921 (4) {angstrom}, and c = 10.878 (5) {angstrom} with Z = 3. Two crystallographically independent molecules, A and B, were observed in the structure of 2 with a chloroform solvate molecule per 1.5 formula units of the gold complex. For A, the P atoms are 180{degree} opposed and the rings exactly staggered, while in B the P atoms are 150{degree} apart and the rings are partially staggered. The P-Au-Cl linkage is nearly linear, and the bond distances fall within normal ranges. Evaluation in an ip P388 leukemia mouse model showed 1 and 2 to have only marginal activity with an increased life span (ILS) relative to untreated controls of 30% at a maximally tolerated dose (MTD) of 231 {mu}mol/kg and 40% ILS at 4 {mu}mol/kg, respectively. 27 refs., 4 figs., 3 tabs.

  19. Moessbauer Spectroscopy of Martian and Sverrefjell Carbonates

    NASA Technical Reports Server (NTRS)

    Agresti, David G.; Morris, Richard V.

    2011-01-01

    Mars, in its putative "warmer, wetter: early history, could have had a CO2 atmosphere much denser than its current value of <10 mbar. The question of where all this early CO2 has gone has long been debated. Now, several instruments on Mars Exploration Rover (MER) Spirit, including its Moessbauer spectrometer MIMOS II, have identified Mg-Fe carbonate in rock outcrops at Comanche Spur in the Columbia Hills of Gusev Crater. With this finding, carbonate cements in volcanic breccia collected on Sverrefjell Volcano on Spitzbergen Island in the Svalbard Archipelago (Norway) during the AMASE project are mineralogical and possible process analogues of the newly discovered martian carbonate. We report further analyses of Mossbauer spectra from Comanche Spur and discuss their relationship to Mossbauer data acquired on Sverrefjell carbonates. The spectra were velocity calibrated with MERView and fit using MERFit. Instead of the "average temperature" Comanche spectrum (data from all temperature windows summed), we refit the Comanche data for QS within each temperature window, modeling as doublets for Fe2+(carbonate), Fe2+(olivine), and Fe3+(npOx). The temperature dependences of QS for the Comanche carbonate and for a low-Ca carbonate from Chocolate Pots in Yellowstone National Park (YNP) are shown; they are the same within error. For Comanche carbonate summed over 210-270 K, (CS, QS) = (1.23, 1.95) mm/s. The value of QS for Sverrefjell carbonate at 295 K, (CS, QS) = (1.25, 1.87) mm/s, is also plotted, and the plot shows that the QS for the Sverrefjell carbonate agrees within error with the Comanche data extrapolated to 295 K. This agreement is additional evidence that the Sverrefjell carbonates are Mossbauer analogues for the Comanche carbonates, and that both carbonates might have precipitated from solutions that became carbonate rich by passing through buried carbonate deposits.

  20. Molecular dynamics in cytochrome c oxidase Moessbauer spectra deconvolution

    SciTech Connect

    Bossis, Fabrizio; Palese, Luigi L.

    2011-01-07

    Research highlights: {yields} Cytochrome c oxidase molecular dynamics serve to predict Moessbauer lineshape widths. {yields} Half height widths are used in modeling of Lorentzian doublets. {yields} Such spectral deconvolutions are useful in detecting the enzyme intermediates. -- Abstract: In this work low temperature molecular dynamics simulations of cytochrome c oxidase are used to predict an experimentally observable, namely Moessbauer spectra width. Predicted lineshapes are used to model Lorentzian doublets, with which published cytochrome c oxidase Moessbauer spectra were simulated. Molecular dynamics imposed constraints to spectral lineshapes permit to obtain useful information, like the presence of multiple chemical species in the binuclear center of cytochrome c oxidase. Moreover, a benchmark of quality for molecular dynamic simulations can be obtained. Despite the overwhelming importance of dynamics in electron-proton transfer systems, limited work has been devoted to unravel how much realistic are molecular dynamics simulations results. In this work, molecular dynamics based predictions are found to be in good agreement with published experimental spectra, showing that we can confidently rely on actual simulations. Molecular dynamics based deconvolution of Moessbauer spectra will lead to a renewed interest for application of this approach in bioenergetics.

  1. Transition to collapsed tetragonal phase in CaFe2As2 single crystals as seen by 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; Ran, Sheng; Valentí, Roser; Canfield, Paul C.

    2016-01-01

    Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ˜25 % on cooling from room temperature to ˜100 K in the tetragonal phase and is only weakly temperature dependent at low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.

  2. Transition to collapsed tetragonal phase in CaFe2As2 single crystals as seen by 57Fe Mössbauer spectroscopy

    DOE PAGESBeta

    Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; Ran, Sheng; Valentí, Roser; Canfield, Paul C.

    2016-01-21

    Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ~25% on cooling from room temperature to ~100 K in the tetragonal phase and is only weakly temperature dependent at low temperaturesmore » in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Furthermore, based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.« less

  3. Time differential 57Fe Mössbauer spectrometer with unique 4π YAP:Ce 122.06 keV gamma-photon detector

    NASA Astrophysics Data System (ADS)

    Novak, Petr; Pechousek, Jiri; Prochazka, Vit; Navarik, Jakub; Kouril, Lukas; Kohout, Pavel; Vrba, Vlastimil; Machala, Libor

    2016-10-01

    This paper presents a conceptually new design of the 57Fe Time Differential Mössbauer Spectrometer (TDMS) with the gamma-photon detector optimized for registration of a radiation emitted in a maximum solid angle. A high detection efficiency of 80% in 4π region was achieved for 122.06 keV photons emitted from 57Co source. Detector parameters have been optimized for the use in the Time Differential Mössbauer Spectroscopy where the high time resolution in range of 176-200 ns is highly required. Technical concept of the TDMS is based on the virtual instrumentation technique and uses fast digital oscilloscope. Performance and detector utilization have been clarified by decreasing the Mössbauer spectral line-width of K2MgFe(CN)6 reference sample from 0.33 mm/s (integral mode) to 0.23 mm/s (time differential mode). This report also describes characterization and utilization of the detector together with additional electronic blocks and two-channel fast data-acquisition system construction.

  4. Magnetic hysteresis properties and 57Fe Mössbauer spectroscopy of iron and stony-iron meteorites: Implications for mineralogy and thermal history

    NASA Astrophysics Data System (ADS)

    Dos Santos, E.; Gattacceca, J.; Rochette, P.; Scorzelli, R. B.; Fillion, G.

    2015-05-01

    Since the solid matter in our solar system began to assemble 4.57 billion years ago, meteorites have recorded a large range of processes, including metamorphism, melting, irradiation and hypervelocity impacts. These processes as well as solar system magnetic fields can be accessed through the investigation of magnetic properties of meteorites. In this work, we present magnetic hysteresis properties, isothermal remanent magnetization acquisition curves and 57Fe Mössbauer spectra for nineteen iron and eleven stony-iron meteorites. These data will be the background for a discussion about the thermal and shock history of these meteorites. Although Mössbauer spectroscopy and hysteresis measurements are not able to provide cooling rates like the conventional metallographic method does, we show that the combination of the ordering degree of taenite phase measured by Mössbauer spectroscopy and hysteresis properties are useful for constraining the thermal and shock history of meteorites. In particular, strong shock and the associated thermal event that result in disordering of tetrataenite can be easily identified.

  5. Speciation of triphenyltin compounds using Moessbauer spectroscopy. Final report

    SciTech Connect

    Eng, G.

    1993-11-01

    Organotin compounds have been used widely as the active agent in antifouling marine paints. Organotin compounds, i.e., tributyltin compounds (TBTs) and triphenyltin compounds (TPTs) have been found to be effective in preventing the unwanted attachment and development of aquatic organisms such as barnacles, sea grass and hydroids on ships, hulls and underwater surfaces. However, these organotin compounds have been found to be toxic to non-targeted marine species as well. While speciation of tributyltins in environmental water systems has received much attention in the literature, little information concerning the speciation of triphenyltins is found. Therefore, it would be important to study the fate of TPTs in the aquatic environment, particularly in sediments, both oxic and anoxic, in order to obtain speciation data. Since marine estuaries consist of areas with varying salinity and pH, it is important to investigate the speciation of these compounds under varying salinity conditions. In addition, evaluation of the speciation of these compounds as a function of pH would give an insight into how these compounds might interact with sediments in waters where industrial chemical run-offs can affect the pH of the estuarine environment. Finally, since organotins are present in both salt and fresh water environments, the speciation of the organotins in seawater and distilled water should also be studied. Moessbauer spectroscopy would provide a preferred method to study the speciation of triphenyltins as they leach from marine paints into the aquatic environment. Compounds used in this study are those triphenyltin compounds that are commonly incorporated into marine paints such as triphenyltin fluoride (TPTF), triphenyltin acetate (TPTOAc), triphenyltin chloride (TPTCl) and triphenyltin hydroxide (TPTOH).

  6. The Miniaturized Moessbauer Spectrometers MIMOS II on MER: Four Years of Operation - A Summary

    NASA Technical Reports Server (NTRS)

    Fleischer, I.; Klingelhoefer, G.; Morris, R. V.; Rodionov, D.; Blumers, M.; Bernhardt, B.; Schroeder, C.; Ming, D. W.; Yen, A. S.; Cohen, B. A.; McCoy, T. J.; Mittlefehldt, D. W.; Schmidt, M. E.; Girones Lopez, J.; Studlek, G.; Brueckner, J.; Gellert, R.; d'Uston, C.

    2008-01-01

    The two Miniaturized Moessbauer Spectrometers (MIMOS II) on board the two Mars Exploration Rovers Spirit and Opportunity have now been collecting important scientific data for more than four years. The spectrometers provide information about Fe-bearing mineral phases and determine Fe oxidation states. The total amount of targets analized exceeds 600, the total integration time exceeds 260 days for both rovers. Since landing, more than five half-lives of the Co-57 MB sources have past (intensity at the time of landing approx. 150 mCi). Current integration times are about 50 hours in order to achieve reasonable statistics as opposed to 8 hours at the beginning of the mission. In total, 13 different mineral phases were detected: Olivine, pyroxene, hematite, magnetite and nanophase ferric oxide were detected at both landing sites. At Gusev, ilmenite, goethite, a ferric sulfate phase and a yet unassigned phase (in the rock Fuzzy Smith) were detected. At Meridiani, jarosite, metallic iron in meteoritic samples (kamacite), troilite, and an unassigned ferric phase were detected. Jarosite and goethite are of special interest, as these minerals are indicators for water activity. In this abstract, an overview of Moessbauer results will be given, with a focus on data obtained since the last martian winter. The MER mission has proven that Moessbauer spectroscopy is a valuable tool for the in situ exploration of extraterrestrial bodies and for the study of Febearing samples. The experience gained through the MER mission makes MIMOS II a obvious choice for future missions to Mars and other targets. Currently, MIMOS II is on the scientific payload of two approved future missions: Phobos Grunt (Russian Space Agency; 2009) and ExoMars (European Space Agency; 2013).

  7. Identification of Iron-Bearing Phases on the Martian Surface and in Martian Meteorites and Analogue Samples by Moessbauer Spectroscopy

    NASA Technical Reports Server (NTRS)

    Klingelhoefer, G.; Agresti, D. G.; Schroeder, C.; Rodionov, D.; Yen, A.; Ming, Doug; Morris, Richard V.

    2007-01-01

    The Moessbauer spectrometers on the Mars Exploration Rovers (MER) Spirit (Gusev Crater) and Opportunity (Meridiani Planum) have each analyzed more than 100 targets during their ongoing missions (>1050 sols). Here we summarize the Fe-bearing phases identified to date and compare the results to Moessbauer analyses of martian meteorites and lunar samples. We use lunar samples as martian analogues because some, particularly the low-Ti Apollo 15 mare basalts, have bulk chemical compositions that are comparable to basaltic martian meteorites [1,2]. The lunar samples also provide a way to study pigeonite-rich samples. Pigeonite is a pyroxene that is not common in terrestrial basalts, but does often occur on the Moon and is present in basaltic martian meteorites

  8. The importance of a Ni correction with ion counter in the double spike analysis of Fe isotope compositions using a 57Fe/58Fe double spike

    NASA Astrophysics Data System (ADS)

    Finlayson, V. A.; Konter, J. G.; Ma, L.

    2015-12-01

    We present a new method capable of measuring iron isotope ratios of igneous materials to high precision by multicollector inductively coupled plasma mass spectrometry (MC-ICP-MS) using a 57Fe-58Fe double spike. After sample purification, near-baseline signal levels of nickel are still present in the sample solution, acting as an isobaric interference on 58 amu. To correct for the interference, the minor 60Ni isotope is monitored and used to subtract a proportional 58Ni signal from the total 58 amu beam. The 60Ni signal is difficult to precisely measure on the Faraday detector due to Johnson noise occurring at similar magnitude. This noise-dominated signal is subtracted from the total 58 amu beam, and its error amplified during the double spike correction. Placing the 60Ni beam on an ion counter produces a more precise measurement, resulting in a near-threefold improvement in δ56Fe reproducibility, from ±0.145‰ when measured on Faraday to 0.052‰. Faraday detectors quantify the 60Ni signal poorly, and fail to discern the transient 20Ne40Ar interference visible on the ion counter, which is likely responsible for poor reproducibility. Another consideration is instrumental stability (defined herein as drift in peak center mass), which affects high-resolution analyses. Analyses experiencing large drift relative to bracketing standards often yield nonreplicating data. Based on this, we present a quantitative outlier detection method capable of detecting drift-affected data. After outlier rejection, long-term precision on individual runs of our secondary standard improves to ±0.046‰. Averaging 3-4 analyses further improves precision to 0.019‰, allowing distinction between ultramafic minerals.

  9. Search for 14.4 keV solar axions from M1 transition of {sup 57}Fe with CUORE crystals

    SciTech Connect

    2013-05-01

    We report the results of a search for axions from the 14.4 keV M1 transition from {sup 57}Fe in the core of the sun using the axio-electric effect in TeO{sub 2} bolometers. The detectors are 5 × 5 × 5 cm{sup 3} crystals operated at about 10 mK in a facility used to test bolometers for the CUORE experiment at the Laboratori Nazionali del Gran Sasso in Italy. An analysis of 43.65 kg⋅d of data was made using a newly developed low energy trigger which was optimized to reduce the energy threshold of the detector. An upper limit of 0.58 c⋅kg{sup −1}⋅d{sup −1} is established at 95% C.L., which translates into lower bounds f{sub A} ≥ 3.12 × 10{sup 5} GeV 95% C.L. (DFSZ model) and f{sub A} ≥ 2.41 × 10{sup 4} GeV 95% C.L. (KSVZ model) on the Peccei-Quinn symmetry-breaking scale, for a value of S = 0.5 of the flavor-singlet axial vector matrix element. These bounds can be expressed in terms of axion masses as m{sub A} ≤ 19.2 eV and m{sub A} ≤ 250 eV at 95% C.L. in the DFSZ and KSVZ models respectively. Bounds are given also for the interval 0.35 ≤ S ≤ 0.55.

  10. Redox condition of the late Neoproterozoic pelagic deep ocean: 57Fe Mössbauer analyses of pelagic mudstones in the Ediacaran accretionary complex, Wales, UK

    NASA Astrophysics Data System (ADS)

    Sato, Tomohiko; Sawaki, Yusuke; Asanuma, Hisashi; Fujisaki, Wataru; Okada, Yoshihiro; Maruyama, Shigenori; Isozaki, Yukio; Shozugawa, Katsumi; Matsuo, Motoyuki; Windley, Brian F.

    2015-11-01

    We report geological and geochemical analysis of Neoproterozoic pelagic deep-sea mudstones in an accretionary complex in Lleyn, Wales, UK. Ocean plate stratigraphy at Porth Felen, NW Lleyn, consists of mid-ocean ridge basalt (> 4 m), bedded dolostone (2 m), black mudstone (5 m), hemipelagic siliceous mudstone (1 m,) and turbiditic sandstone (15 m), in ascending order. The absence of terrigenous clastics confirms that the black and siliceous mudstone was deposited in a pelagic deep-sea. Based on the youngest U-Pb age (564 Ma) of detrital zircons separated from overlying sandstone, the deep-sea black mudstone was deposited in the late Ediacaran. The 5 m-thick black mudstone contains the following distinctive lithologies: (i) black mudstone with thin pyritic layers (0.8 m), (ii) alternation of black mudstone and gray/dark gray siliceous mudstone (2.4 m), (iii) thinly-laminated dark gray shale (1 m), and (iv) black mudstone with thin pyritic layers (1 m). 57Fe Mössbauer spectroscopy confirms that these black mudstones contain pyrite without hematite. In contrast, red bedded claystones (no younger than 542 Ma) in the neighboring Braich section contain hematite as their main iron mineral. These deep-sea mudstones in the Lleyn Peninsula record a change of redox condition on the pelagic deep-sea floor during the Ediacaran. The black mudstone at Porth Felen shows that deep-sea anoxia existed in the late Ediacaran. The eventual change from a reducing to an oxidizing deep-sea environment likely occurred in the late Ediacaran (ca. 564-542 Ma).

  11. Moessbauer Mineralogy on the Moon: The Lunar Regolith

    NASA Technical Reports Server (NTRS)

    Morris, Richard V.; Korotev, Randy L..; Shelfer, Tad D.; Klingelhoefer, Goestar

    1997-01-01

    A first-order requirement for spacecraft missions that land on solid planetary objects is instrumentation for mineralogical analyses. For purposes of providing diagnostic information about naturally-occurring materials, the element iron is particularly important because it is abundant and multivalent. Knowledge of the oxidation state of iron and its distribution among iron-bearing mineralogies tightly constrains the types of materials present and provides information about formation and modification (weathering) processes. Because Moessbauer spectroscopy is sensitive to both the valence of iron and its local chemical environment, the technique is unique in providing information about both the relative abundance of iron-bearing phases and oxidation state of the iron. The Moessbauer mineralogy of lunar regolith samples (primarily soils from the Apollo 16 and 17 missions to the Moon) were measured in the laboratory to demonstrate the strength of the technique for in situ mineralogical exploration of the Moon. The regolith samples were modeled as mixtures of five iron-bearing phases: olivine, pyroxene, glass, ilmenite, and metal. Based on differences in relative proportions of iron associated with these phases, volcanic ash regolith can be distinguished from impact-derived regolith, impact-derived soils of different geologic affinity (e.g., highlands, maria) can be distinguished on the basis of their constituent minerals, and soil maturity can be estimated. The total resonant absorption area of the Moessbauer spectrum can be used to estimate total FeO concentrations.

  12. Moessbauer Characterization of Magnetite/Polyaniline Magnetic Nanocomposite

    SciTech Connect

    Rodriguez, Anselmo F. R.; Faria, Fernando S. E. D. V.; Lopez, Jorge L.; Mesquita, Antonio G. G.; Coaquira, Jose A. H.; Oliveira, Aderbal C.; Morais, Paulo C.; Azevedo, Ricardo B.; Araujo, Ana C. V. de; Alves, Severino Jr.; Azevedo, Walter M. de

    2010-12-02

    Aniline surface coated Fe{sub 3}O{sub 4} nanoparticles have been successfully synthesized by UV irradiation varying the time and the acid media (HCl, HNO{sub 3}, or H{sub 2}SO{sub 4}). The synthesized material represents a promising platform for application in nerve regeneration. XRD patterns are consistent with the crystalline structure of magnetite. Nevertheless, for UV irradiation times longer than 2 h, extra XRD lines reveal the presence of goethite. The mean crystallite size of uncoated particles is estimated to be 25.4 nm, meanwhile that size is reduced to 19.9 nm for the UV irradiated sample in HCl medium for 4 h. Moessbauer spectra of uncoated nanoparticles reveal the occurrence of thermal relaxation at room temperature, while the 77 K-Moessbauer spectrum suggests the occurrence of electron localization effects similar to that expected in bulk magnetite. The Mossbauer spectra of UV irradiated sample in HCl medium during 4 h, confirms the presence of the goethite phase. For this sample, the thermal relaxation is more evident, since the room temperature spectrum shows larger spectral area for the nonmagnetic component due to the smaller crystallite size. Meanwhile, the 77 K-Moessbauer spectrum suggests the absence of the electron localization effect above 77 K.

  13. Mossbauer Investigation of 57Fe-Doped Ni(III) Perovskites ANi 0.98Fe 0.02O 3 ( A=Pr, Nd, Sm, Y, Lu, Tl) versus Temperature

    NASA Astrophysics Data System (ADS)

    Kim, Seung-Joo; Presniakov, Igor; Demazeau, Gerard; Pokholok, Konstantin; Baranov, Alexey; Sobolev, Alexey; Pankratov, Denis; Ovanesyan, Nikolay

    2002-10-01

    Nickelates ANiO 3 ( A=Pr, Nd, Sm, Lu, Y, Tl) containing Mössbauer probe 57Fe atoms were synthesized. In the case of nickelates with larger rare earth ( A=Pr, Nd, Sm) the Mössbauer spectra confirm that ferric ions are located in single type of crystallographic positions. On the contrary, the spectra of ANi 0.98Fe 0.02O 3 with small cations ( A=Lu, Y, Tl) can be described as a superposition of two sub-spectra which indicate that 57Fe probe atoms are simultaneously stabilized in two non-equivalent crystallographic positions. These results have been interpreted in terms of partial charge disproportionation of Ni 3+ cations associated with the electronic localization in monoclinic distorted Lu, Y, Tl nickelates. The modification of 57Fe spectra for TlNi 0.98Fe 0.02O 3 as a function of temperature has shown that this charge disproportionation occurs in varying degrees, corresponding to the charge states Fe (3+ σ)+ and Fe (3- σ')+ . On the contrary, the spectra for Lu and Y nickelates show that charge variation ( σ, σ') for dopant Fe(1) and Fe(2) cations does not depend on temperature.

  14. Determination of the Moessbauer parameters of rare-earth nitroprussides: Evidence for new light-induced magnetic excited state (LIMES) in nitroprussides

    SciTech Connect

    Rusanov, V.; Stankov, S.; Ahmedova, A.; Trautwein, A.X.

    2009-05-15

    Nitroprussides of the rare-earth elements and some mixed rare-earth-sodium nitroprussides are studied by Moessbauer spectroscopy at ambient and lower temperatures. The high precision Moessbauer measurements reveal fine changes in the electronic configurations of the nitroprusside anions. A small increase of the quadrupole splitting reveals charge polarization effects in the nitroprusside anion caused by the oblate or prolate shape of the rare-earth ion and the lanthanide contraction. Despite the very large magnetic moment of holmium a magnetic phase transition is not observed down to 300 mK. The population of the metastable states SI and SII are evidenced in europium and scandium nitroprussides, and most likely they can be populated in all rare-earth nitroprussides. No distinct correlation between the Moessbauer parameters and the decay temperatures T{sub c} of the metastable states are found. In a very thin surface layer strong color change, which remains stable at room temperature, is detected. A quadrupole doublet with Moessbauer parameters typical for Fe(III), low spin S=1/2 state is related to a new colored photoproduct. The photoproduct is called light-induced magnetic excited state (LIMES) and explained with a photochemical redox reaction, which changes the valence, spin, and magnetic state of 4f-3d bimetallic complexes. - Graphical abstract: Rare-earth nitroprussides are studied by Moessbauer spectroscopy. Population of metastable states in a thin surface layer, and another state which remains stable at room temperature, are detected. The latter is a photoproduct which is called light-induced magnetic excited state (LIMES) and explained with a photochemical redox reaction, which changes the valence, spin, and magnetic state of 4f-3d bimetallic complexes.

  15. Chemostratigraphy and Fe Mineralogy of the Victoria Crater Duck Bay Section: Opportunity APXS and Moessbauer Results

    NASA Technical Reports Server (NTRS)

    Mittlefehldt, D. W.; Schroeder, C.; Gellert, R.; Klingelhoefer, G.; Jolliff, B. L.; Morris, R. V.

    2008-01-01

    Meridiani Planum is a vast plain of approximately horizontally bedded sedimentary rocks composed of mixed and reworked basaltic and evaporitic sands containing secondary, diagenetic minerals [e.g., 1-5]. Because bedding planes are subparallel to topography, investigation of contiguous stratigraphy requires examining exposures in impact craters. Early in the mission (sols 130-317), Opportunity was commanded to do detailed study of exposed outcrops in Endurance crater, including the contiguous Karatepe section at the point of ingress. Just over 1000 sols later and roughly 7 km to the south, the rover is being commanded to do a similar study of the Duck Bay section of Victoria crater. Here we report on the preliminary results from the Alpha Particle X-ray Spectrometer (APXS) and Moessbauer instruments.

  16. Anomalous Moessbauer Fraction in Superparamagnetic Systems.

    NASA Astrophysics Data System (ADS)

    Mohie-Eldin, Mohie-Eldin Yehia

    The biological molecule ferritin and its proven synthetic counterpart polysaccharide iron complex (P.I.C.) have been shown to contain small (<100 ^circ in diameter) antiferromagnetic cores at their centers. Mossbauer studies of these molecules have revealed an anomalous drop in the Mossbauer fraction (f-factor) as the temperature rises above 30^ circK for mammalian ferritin and 60 ^circK for P.I.C. Above the blocking temperature, superparamagnetic relaxation results in the disappearance of hyperfine splitting. This thesis investigates and attempts to resolve this Lamb-Mossbauer f-Factor anomaly in these superparamagnetically relaxing systems. Chapter I deals with a basic review of theories of Mossbauer spectroscopy and superparamagnetism. The analogies in the composition of the two molecules is examined in Chapter II. The long range order technique of magnetization measurements is used in Chapter III to compare magnetic properties of both molecules and to verify the suggestion that the P.I.C. molecule is a good "biomimic" to ferritin based on the identification of ferrihydrite as the major mineral in both, by short range probing techniques such as X-ray diffraction. The anomaly is confirmed in P.I.C.'s Mossbauer spectra in Chapter IV. Different absorbers are used to experimentally investigate the absorber thickness effect on the Mossbauer spectra. The anomaly persists for thin absorbers. Also in Chapter V, data that is treated with FFT procedures to eliminate the thickness effect still exhibit this anomaly. We then investigated the effect of superparamagnetic relaxation on the f-factor. In Chapter VI, spin-lattice relaxation was excluded based upon a calculation of the rate of energy transfer from the spin system to the lattice. We introduce a theory in Chapter VII based on the following process as a plausible explanation of the anomaly: Superparamagnetic relaxation brings about a dynamical displacement of the Mossbauer nucleus through magnetostriction. These

  17. Moessbauer spectroscopy and scanning electron microscopy of the Murchison meteorite

    NASA Technical Reports Server (NTRS)

    Brown, Christopher L.; Oliver, Frederick W.; Hammond, Ernest C., Jr.

    1989-01-01

    Meteorites provide a wealth of information about the solar system's formation, since they have similar building blocks as the Earth's crust but have been virtually unaltered since their formation. Some stony meteorites contain minerals and silicate inclusions, called chondrules, in the matrix. Utilizing Moessbauer spectroscopy, we identified minerals in the Murchison meteorite, a carbonaceous chondritic meteorite, by the gamma ray resonance lines observed. Absorption patterns of the spectra were found due to the minerals olivine and phyllosilicate. We used a scanning electron microscope to describe the structure of the chondrules in the Murchison meteorite. The chondrules were found to be deformed due to weathering of the meteorite. Diameters varied in size from 0.2 to 0.5 mm. Further enhancement of the microscopic imagery using a digital image processor was used to describe the physical characteristics of the inclusions.

  18. Extraterrestrial Moessbauer Spectroscopy: More than Three Years of Mars Exploration and Developments for Future Missions

    NASA Technical Reports Server (NTRS)

    Schroeder, Christian; Klingelhoefer, Goestar; Morris, Richard V.; Rodionov, Daniel S.; Fleischer, Iris; Blumers, Mathias

    2007-01-01

    The NASA Mars Exploration Rovers (MER), Spirit and Opportunity, landed on the Red Planet in January 2004. Both rovers are equipped with a miniaturized Moessbauer spectrometer MIMOS II. Designed for a three months mission, both rovers and both Moessbauer instruments are still working after more than three years of exploring the Martian surface. At the beginning of the mission, with a landed intensity of the Moessbauer source of 150 mCi, a 30 minute touch and go measurement produced scientifically valuable data while a good quality Moessbauer spectrum was obtained after approximately eight hours. Now, after about five halflives of the sources have passed, Moessbauer integrations are routinely planned to last approx.48 hours. Because of this and other age-related hardware degradations of the two rover systems, measurements now occur less frequently, but are still of outstanding quality and scientific importance. Summarizing important Moessbauer results, Spirit has traversed the plains from her landing site in Gusev crater and is now, for the greater part of the mission, investigating the stratigraphically older Columbia Hills. Olivine in rocks and soils in the plains suggests that physical rather than chemical processes are currently active.

  19. Ab initio study of the 57Fe quadrupole splitting in the heme models of α- and β-subunits in tetrameric deoxyhemoglobin

    NASA Astrophysics Data System (ADS)

    Yuryeva, E. I.; Oshtrakh, M. I.

    2005-09-01

    Ab initio Xα discrete variation method was used for calculation of quadrupole splitting for the rough heme models in α- and β-subunits of tetrameric deoxyhemoglobin accounting small stereochemical variations. The differences of theoretical values of quadrupole splitting for these heme models were obtained.

  20. Fe-doped ZnO nanoparticles: the oxidation number and local charge on iron, studied by 57Fe Mößbauer spectroscopy and DFT calculations.

    PubMed

    Xiao, Jianping; Kuc, Agnieszka; Pokhrel, Suman; Mädler, Lutz; Pöttgen, Rainer; Winter, Florian; Frauenheim, Thomas; Heine, Thomas

    2013-03-01

    Iron bru: Fe-doped ZnO may contain Fe(2+) and Fe(3+) species. Whilst Mößbauer spectroscopy can distinguish these sites in pure oxides FeO and Fe(2)O(3), it gives very similar shifts for Fe-doped phases. This result is rationalized by electron redistribution from the dopant site to the crystal matrix. Mößbauer shifts correlate with the local charge on the Fe sites and different dopant sites can be identified by the Mößbauer quadrupole splitting (see figure). PMID:23400908

  1. Iron Moessbauer spectroscopy: Superparamagnetism in hydrothermal vents and the search for evidence of past life on Mars

    NASA Technical Reports Server (NTRS)

    Agresti, David G.; Wdowiak, Thomas J.

    1992-01-01

    In view of the demonstrated value of Iron Moessbauer Spectroscopy (FeMS) in the study of extraterrestrial iron and the fact that, after silicon and oxygen, iron is the most abundant element on the surface of Mars, we proposed, and have under development, a backscatter Moessbauer spectrometer with x ray fluorescence capability (BaMS/XRF) for use on Mars as a geophysical prospecting instrument. Specifically, we have proposed BaMS/XRF as part of the geochemistry instrumentation on NASA's Mars Environment Survey (MESUR) mission. BaMS/XRF will have applications in: (1) the study of past environments through the examination of sedimentary material; (2) the study of the contemporary Martian environment; and (3) the study of iron-containing minerals of possible biogenic origin. Development of a reference library from a geophysical point of view for putative Martian surface materials at appropriate temperatures is now underway. We carried out preliminary optical reflectance and FeMS measurements on mineral products (iron oxyhydroxides) of deep-sea hydrothermal activity. Various aspects of this investigation are presented.

  2. Effects of Al substitution and thermal annealing on magnetoelectric Ba0.5Sr1.5Zn2Fe12O22 investigated by the enhancement factor of 57Fe nuclear magnetic resonance.

    PubMed

    Kwon, Sangil; Kang, Byeongki; Kim, Changsoo; Jo, Euna; Lee, Soonchil; Chai, Yi Sheng; Chun, Sae Hwan; Kim, Kee Hoon

    2014-04-01

    The magnetoelectric properties of hexaferrite Ba0.5Sr1.5Zn2Fe12O22 are significantly improved by Al substitution and thermal annealing. Measuring the enhancement factor of 57Fe NMR, we found direct microscopic evidence that the magnetic moments of the L and S blocks are rotated by a magnetic field in such a way as to increase the net magnetic moment of a magnetic unit, even after the field is removed. Al substitution makes magnetoelectric property arise easily by suppressing the easy-plane anisotropy. The effect of thermal annealing is to stabilize the multiferroic state by reducing the number of pinning sites and the electron spin fluctuation. The transverse conic structure gradually changes to the alternating longitudinal conic structure where spins fluctuate more severely.

  3. Moessbauer effect measurement in single crystal iron subjected to cyclic stress

    NASA Technical Reports Server (NTRS)

    Singh, J. J.

    1976-01-01

    Backscattered Moessbauer spectra were recorded at different fatigue levels in cyclically fatigued high-purity single-crystal iron specimens in the form of rectangular strips with appropriate concentrators in the midplane. The Moessbauer spectra were submitted to a least-squares analysis to determine the isomer shift, quadrupole shift, hyperfine field, and peak spectral widths in each spectrum. It is shown that the quadrupole shift and the isomer shift changed little with fatigue, whereas the effective internal field and the associate line widths exhibit significant variation as a function of fatigue level. It is concluded that the impurity concentration builds up slowly with increasing fatigue level in the region of stress concentration. Since there is a direct correlation between crack initiation and defect concentration level, it is expected that Moessbauer measurements in the test specimen can provide a means of monitoring the impurity buildup presumed to be the eventual cause of fatigue crack initiation and failure.

  4. Moessbauer spectroscopy of Mg(0.9)Fe(0.1)SiO3 perovskite

    NASA Technical Reports Server (NTRS)

    Jeanloz, Raymond; O'Neill, Bridget; Pasternak, Moshe P.; Taylor, R. D.; Bohlen, Steven R.

    1992-01-01

    Ambient pressure Moessbauer spectra of Mg(0.9)Fe-57(0.1)SiO3 perovskite synthesized at pressure-temperature conditions of about 50 GPa and 1700 K show that the iron is entirely high-spin Fe(2+) and appears to be primarily located in the octahedral site within the crystal structure. We observe broad Moessbauer lines, suggesting a distribution of electric-field gradients caused by disorder associated with the Fe ions. Also, the perovskite exhibits magnetic ordering at temperatures lower than 5 K, implying that there is a magnetic contribution to the absolute ('third-law') entropy of this phase.

  5. The big and little of fifty years of Moessbauer spectroscopy at Argonne.

    SciTech Connect

    Westfall, C.

    2005-09-20

    Using radioactive materials obtained by chance, a turntable employing gears from Heidelberg's mechanical toy shops, and other minimal equipment available in post World War II Germany, in 1959 Rudolf Moessbauer confirmed his suspicion that his graduate research had yielded ground-breaking results. He published his conclusion: an atomic nucleus in a crystal undergoes negligible recoil when it emits a low energy gamma ray and provides the entire energy to the gamma ray. In the beginning Moessbauer's news might have been dismissed. As Argonne nuclear physicist Gilbert Perlow noted: ''Everybody knew that nuclei were supposed to recoil when emitting gamma rays--people made those measurements every day''. If any such effect existed, why had no one noticed it before? The notion that some nuclei would not recoil was ''completely crazy'', in the words of the eminent University of Illinois condensed matter physicist Frederich Seitz. Intrigued, however, nuclear physicists as well as condensed matter (or solid state) physicists in various locations--but particularly at the Atomic Energy Research Establishment at Harwell in Britain and at Argonne and Los Alamos in the U.S.--found themselves pondering the Moessbauer spectra with its nuclear and solid state properties starting in late 1959. After an exciting year during which Moessbauer's ideas were confirmed and extended, the physics community concluded that Moessbauer was right. Moessbauer won the Nobel Prize for his work in 1961. In the 1960s and 1970s Argonne physicists produced an increasingly clear picture of the properties of matter using the spectroscopy ushered in by Moessbauer. The scale of this traditional Moessbauer spectroscopy, which required a radioactive source and other simple equipment, began quite modestly by Argonne standards. For example Argonne hosted traditional Moessbauer spectroscopy research using mostly existing equipment in the early days and equipment that cost $100,000 by the 1970s alongside work at

  6. High-temperature fractionation of stable iron isotopes in terrestrial and extra-terrestrial samples determined by ultra-precise measurements with a 57Fe-58Fe double spike and MC-ICPMS

    NASA Astrophysics Data System (ADS)

    Millet, M.; Baker, J.

    2010-12-01

    We have developed techniques for precise stable Fe isotope measurement utilising a 57Fe-58Fe double spike and pseudo-high-resolution MC-ICPMS. Instrumental mass bias is corrected using a 57Fe-58Fe double spike with a spike 58Fe/57Fe ratio of 1.012. Fe isotope analyses are carried out on a Nu Plasma MC-ICPMS with a DSN-100 desolvating nebuliser system. The MC-ICPMS is operated in pseudo-high-resolution mode with a mass resolution of ca. 3000 on all Fe isotopes permitting resolution of Fe isotope peaks from argide interferences. Residual interferences in the form of tails from these Ar-based interferences are corrected for by normalizing data to analyses of bracketing standards of the IRMM-014 standard. Repeated measurement of IRMM-014 yields an external reproducibility of 0.02‰ (2sd, n=26) on δ56Fe. Fe is separated from samples using conventional anion-exchange techniques. Replicate digestions of the JF-2 alkali feldspar standard yield an external reproducibility of 0.025‰ (2sd, n=5). Based on those results, error models predict that precisions of ≤ 0.01‰ (2sd) are attainable for standards and samples by combining multiple measurements of several sample digestions. We will present ultra-precise measurements of an array of international rock standards utilizing these techniques. We have obtained precise stable Fe isotope results on silicate minerals from a range of terrestrial magmatic rocks (basalt to rhyolite) and basaltic meteorites (angrites and eucrites). These results indicate that substantial stable Fe isotope fractionations (δ56Fe = -1.0 to 0.85‰) exist in high-temperature magmatic systems on Earth, which appear to be redox-controlled. Fe2+-dominated minerals like olivine display marked enrichment in light isotopes of Fe (δ56Fe = -0.35 to -0.30‰) compared to the host basaltic melt (δ56Fe = 0.05 to 0.22‰). Conversely, clinopyroxene typically has a stable Fe isotope composition only slightly lower or similar to the host melt. Notably

  7. An Overview of Moessbauer Mineralogy at Gusev Crater, Mars

    NASA Technical Reports Server (NTRS)

    Klingelhoefer, G.; Schroeder, C.; Rodionov, D.; Yen, A.

    2006-01-01

    The Mars Exploration Rover (MER) Spirit landed on the plains of Gusev Crater on 4 January 2004 [1]. The scientific objective of the Moessbauer (MB) spectrometer on Spirit is to provide quantitative information about the distribution of Fe among its oxidation and coordination states, identification of Fe-bearing phases, and relative distribution of Fe among those phases. The speciation and distribution of Fe in Martian rock and soil constrains the primary rock types, redox conditions under which primary minerals crystallized, the extent of alteration and weathering, the type of alteration and weathering products, and the processes and environmental conditions for alteration and weathering.We discuss the Fe-bearing phases detected by Spirit s MB instrument during its first 540 sols of exploration [2,3]. Spirit roved eastward across the plains from its landing site to the Columbia Hills during the first approx.150 sols. Rocks are unweathered to weakly weathered olivine basalt, with olivine, pyroxene (Ol > Px), magnetite (Mt), and minor hematite (Hm) and nanophase ferric oxide (npOx) as their primary Fe-bearing minerals. Soils are generally similar basaltic materials, except that the proportion of npOx is much higher (up to approx.40%). NpOx is an oct-Fe3+ alteration product whose concentration is highest in fine-grained soils and lowest in rock interiors exposed by grinding with the Rock Abrasion Tool (RAT). Spirit explored the lower slopes of the Columbia Hills (West Spur) during sols approx.150-320. West Spur rocks are highly altered, even for interior surfaces exposed by grinding (Fe3+/FeT approx.0.56-0.84). High concentrations of npOx, Hm, and Mt are present. One rock (Clovis) contains significant quantities of goethite (alpha-FeOOH; approx.40% of total Fe). The detection of goethite is very significant because it is a mineralogical marker for aqueous alteration.

  8. 57Fe Mössbauer spectroscopy investigations of iron oxidation states in the Harmattan dust nutrient contribution to West African soils

    NASA Astrophysics Data System (ADS)

    Adetunji, Jacob

    2014-12-01

    A variety of investigations have been carried out on Harmattan dust over many decades demonstrating the continuing importance of the Harmattan dust phenomenon. The investigations have included elemental enrichment factors, mineralogical nutrient input through dust deposition on the soil, meteorological studies, etc. Harmattan dust is important, not only for its impact on radio communication and low visibility in the shipping lanes over the Atlantic, but also on the livelihood and health of people living in countries over which the dust-laden Harmattan wind blows. However, so far, the aspect of nutrient mineral deposition on the soil has not been thoroughly investigated and requires attention, since the majority of people living in West Africa rely heavily on agriculture. It is therefore relevant to know the useful nutrients in the Harmattan dust deposited on soils of the region. This study is therefore aimed at determining the ferric-ferrous ratio of the iron-bearing minerals contained in the Harmattan dust, so their nutritional contribution can be considered. The Mössbauer technique is a powerful tool for studying the ferric-ferrous ratio and has therefore been used, for the first time, to determine the oxidation states of iron in the dust samples. The results of the analysis show that the Harmattan dust is seriously deficient in ferrous iron, which is the more soluble Fe-ion, needed in the soil for healthy crops and plants in general.

  9. Investigation of the Moessbauer Spectrum Quality as a Dependence on the Frequency of the Velocity Signal

    SciTech Connect

    Pechousek, J.

    2010-07-13

    This paper is focused on a quality characterizing the Moessbauer spectra measured for various frequencies of the velocity signal. Standard electromechanical double-loudspeaker drive and digital PID velocity controller were used for calibration spectra measurement in the frequency interval from 4 up to 100 Hz. Several parameters were evaluated for recommendation of the suitable velocity signal frequency.

  10. Moessbauer medium with a hidden nuclear population inversion and negative absorption of gamma quanta

    SciTech Connect

    Rivlin, Lev A

    2011-06-30

    We consider physical foundations of an eventual experiment aimed at observing stimulated gamma-photon emission of long-lived Moessbauer isomers through selective frequency modulation of gamma-resonances establishing hidden population inversion without exceeding the number of excited nuclei over unexcited ones and without additional pumping. The examples of suitable nuclei and numerical estimates of the parameters are presented. (active media)

  11. A Synthetic Single-Site Fe Nitrogenase: High Turnover, Freeze-Quench (57)Fe Mössbauer Data, and a Hydride Resting State.

    PubMed

    Del Castillo, Trevor J; Thompson, Niklas B; Peters, Jonas C

    2016-04-27

    The mechanisms of the few known molecular nitrogen-fixing systems, including nitrogenase enzymes, are of much interest but are not fully understood. We recently reported that Fe-N2 complexes of tetradentate P3(E) ligands (E = B, C) generate catalytic yields of NH3 under an atmosphere of N2 with acid and reductant at low temperatures. Here we show that these Fe catalysts are unexpectedly robust and retain activity after multiple reloadings. Nearly an order of magnitude improvement in yield of NH3 for each Fe catalyst has been realized (up to 64 equiv of NH3 produced per Fe for P3(B) and up to 47 equiv for P3(C)) by increasing acid/reductant loading with highly purified acid. Cyclic voltammetry shows the apparent onset of catalysis at the P3(B)Fe-N2/P3(B)Fe-N2(-) couple and controlled-potential electrolysis of P3(B)Fe(+) at -45 °C demonstrates that electrolytic N2 reduction to NH3 is feasible. Kinetic studies reveal first-order rate dependence on Fe catalyst concentration (P3(B)), consistent with a single-site catalyst model. An isostructural system (P3(Si)) is shown to be appreciably more selective for hydrogen evolution. In situ freeze-quench Mössbauer spectroscopy during turnover reveals an iron-borohydrido-hydride complex as a likely resting state of the P3(B)Fe catalyst system. We postulate that hydrogen-evolving reaction activity may prevent iron hydride formation from poisoning the P3(B)Fe system. This idea may be important to consider in the design of synthetic nitrogenases and may also have broader significance given that intermediate metal hydrides and hydrogen evolution may play a key role in biological nitrogen fixation. PMID:27026402

  12. Correlations between mass activity and physicochemical properties of Fe/N/C catalysts for the ORR in PEM fuel cell via 57Fe Mössbauer spectroscopy and other techniques.

    PubMed

    Kramm, Ulrike I; Lefèvre, Michel; Larouche, Nicholas; Schmeisser, Dieter; Dodelet, Jean-Pol

    2014-01-22

    The aim of this work is to clarify the origin of the enhanced PEM-FC performance of catalysts prepared by the procedures described in Science 2009, 324, 71 and Nat. Commun. 2011, 2, 416. Catalysts were characterized after a first heat treatment in argon at 1050 °C (Ar) and a second heat treatment in ammonia at 950 °C (Ar + NH3). For the NC catalysts a variation of the nitrogen precursor was also implemented. (57)Fe Mössbauer spectroscopy, X-ray photoelectron spectroscopy, neutron activation analysis, and N2 sorption measurements were used to characterize all catalysts. The results were correlated to the mass activity of these catalysts measured at 0.8 V in H2/O2 PEM-FC. It was found that all catalysts contain the same FeN4-like species already found in INRS Standard (Phys. Chem. Chem. Phys. 2012, 14, 11673). Among all FeN4-like species, only D1 sites, assigned to FeN4/C, and D3, assigned to N-FeN2+2 /C sites, were active for the oxygen reduction reaction (ORR). The difference between INRS Standard and the new catalysts is simply that there are many more D1 and D3 sites available in the new catalysts. All (Ar + NH3)-type catalysts have a much larger porosity than Ar-type catalysts, while the maximum number of their active sites is only slightly larger after a second heat treatment in NH3. The large difference in activity between the Ar-type catalysts and the Ar + NH3 ones stems from the availability of the sites to perform ORR, as many sites of the Ar-type catalysts are secluded in the material, while they are available at the surface of the Ar + NH3-type catalysts.

  13. Crystal structure, magnetic properties, and 57Fe Mössbauer spectroscopy of the two-dimensional coordination polymers [M(1,2-bis(1,2,4-triazol-4-yl)ethane)2(NCS)2] (MII = Fe, Co).

    PubMed

    Garcia, Yann; Bravic, Georges; Gieck, Christine; Chasseau, Daniel; Tremel, Wolfgang; Gütlich, Philipp

    2005-12-26

    New coordination polymers of the formula [M(btre)(2)(NCS)(2)] (btre = 1,2-bis(1,2,4-triazol-4-yl)ethane; M(II) = Fe, Co) have been synthesized, and their crystal structures have been determined at 293 K by X-ray analysis. The Fe(II) compound (C(7)H(8)FeN(7)S(2)) crystallizes in the monoclinic space group P2(1)/n, a = 12.439(5) A, b = 8.941(2) A, c = 9.321(3) A, beta = 90.88(2) degrees , V = 1036.6(6) A(3), Z = 2, 3791 reflections [I > 3sigma(I)], R(F) = 0.036, wR2 = 0.123. The Co(II) compound is isostructural to the Fe(II) compound. The crystal structure consists of a 2D sheet in which the metal ions are linked by bis monodentate (N1, N1') 1,2,4-triazole ligands. The structure is stabilized by pi-bond interactions between two adjacent sheets and by S...S interactions. Temperature-dependent SQUID, (57)Fe Mössbauer, and X-ray diffraction measurements indicate that [Fe(btre)(2)(NCS)(2)] retains a HS ground state upon cooling from 293 K down to 8 K. The surprising absence of spin-crossover behavior for this Fe(II)-1,2,4-triazole polymeric coordination compound that has been confirmed by pressure experiments up to approximately 12 kbar and by light irradiation experiments at 10 K is discussed on the basis of its structural features. Insight into the origin of the cooperative effects of the spin transition in [Fe(btr)(2)(NCS)(2)].H(2)O (btr = 4,4'-bis-1,2,4-triazole) is also given thanks to a re-evaluation of its distortion parameters in the high- and low-spin states. PMID:16363841

  14. Hematite at Meridiani Planum and Gusev Crater as identified by the Moessbauer Spectrometer MIMOS II

    NASA Technical Reports Server (NTRS)

    Klingelhoefer, G.; Morris, R. V.; Rodionov, D.; Schroeder, C.; de Souza, P. A.; Yen, A.; Renz, F.; Wdowiak, T.

    2006-01-01

    The Moessbauer (MB) spectrometers on the MER rovers Opportunity and Spirit, which landed on Mars in January 2004, have identified the iron-containing mineral hematite (a-Fe2O3) at both landing sites. On Earth, hematite can occur either by itself or with other iron oxides as massive deposits, in veins , and as particles dispersed through a silicate or other matrix material. Hematite particle size can range from nanophase (superparamagnetic) to multidomain and particle shape ranges from equant to acicular to platy. Fine-grained hematite is red in color and is a pigmenting agent. Coarse-grained hematite can be spectrally neutral (gray) at visible wavelengths. Substitutional impurities, particularly Al, are common in hematite. Chemically pure, coarse-grained, and well-crystalline hematite has a magnetic transition (the Morin transition) at 260 K. Moessbauer spectra, recorded as a function of temperature, provide a way to characterize Martian hematite with respect to some of the physical and chemical characteristics. At Meridiani Planum besides the iron-sulfate mineral jarosite also the Fe-oxide hematite has been identified by the Moessbauer spectrometer, mainly in three distinct types of reservoir: - outcrop matrix material dominated by the mineral jarosite in the MB spectrum, certain basaltic soils, and mm-sized spherules dubbed blueberries. Moessbauer spectra of each reservoir yield a distinct set of hyperfine parameters for hematite, suggesting different degrees of crystallinity and particle size. The hematite found by MB instrument MIMOS II in the outcrop material shows the Morin transition at relatively high temperatures (ca. 250 K) which is an indication of pure and well-crystallized hematite. The source of the hematite in the Blueberries as identified by Moessbauer spectroscopy, and also by MiniTES, is not known. These spherules, covering nearly the whole landing site area (Eagle crater, plains, Endurance crater), may be concretions formed in the outcrop

  15. Investigation of potential analytical methods for redox control of the vitrification process. [Moessbauer

    SciTech Connect

    Goldman, D.S.

    1985-11-01

    An investigation was conducted to evaluate several analytical techniques to measure ferrous/ferric ratios in simulated and radioactive nuclear waste glasses for eventual redox control of the vitrification process. Redox control will minimize the melt foaming that occurs under highly oxidizing conditions and the metal precipitation that occurs under highly reducing conditions. The analytical method selected must have a rapid response for production problems with minimal complexity and analyst involvement. The wet-chemistry, Moessbauer spectroscopy, glass color analysis, and ion chromatography techniques were explored, with particular emphasis being placed on the Moessbauer technique. In general, all of these methods can be used for nonradioactive samples. The Moessbauer method can readily analyze glasses containing uranium and thorium. A shielded container was designed and built to analyze fully radioactive glasses with the Moessbauer spectrometer in a hot cell environment. However, analyses conducted with radioactive waste glasses containing /sup 90/Sr and /sup 137/Cs were unsuccessful, presumably due to background radiation problems caused by the samples. The color of glass powder can be used to analyze the ferrous/ferric ratio for low chromium glasses, but this method may not be as precise as the others. Ion chromatography was only tested on nonradioactive glasses, but this technique appears to have the required precision due to its analysis of both Fe/sup +2/ and Fe/sup +3/ and its anticipated adaptability for radioactivity samples. This development would be similar to procedures already in use for shielded inductively coupled plasma emission (ICP) spectrometry. Development of the ion chromatography method is therefore recommended; conventional wet-chemistry is recommended as a backup procedure.

  16. Hematite at Meridiani Planum and Gusev Crater as identified by the Moessbauer Spectrometer MIMOS II

    NASA Astrophysics Data System (ADS)

    Klingelhoefer, G.; Morris, R. V.; Rodionov, D.; Schroeder, C.; de Souza, P. A.; Yen, A.; Renz, F.; Wdowiak, T.

    2004-12-01

    The Moessbauer (MB) spectrometers on the MER rovers Opportunity and Spirit, which landed on Mars in January 2004, have identified the iron-containing mineral hematite (a-Fe2O3) at both landing sites. On Earth, hematite can occur either by itself or with other iron oxides as massive deposits, in veins , and as particles dispersed through a silicate or other matrix material. Hematite particle size can range from nanophase (superparamagnetic) to multidomain and particle shape ranges from equant to acicular to platy. Fine-grained hematite is red in color and is a pigmenting agent. Coarse-grained hematite can be spectrally neutral (gray) at visible wavelengths. Substitutional impurities, particularly Al, are common in hematite. Chemically pure, coarse-grained, and well-crystalline hematite has a magnetic transition (the Morin transition) at ~260 K. Moessbauer spectra, recorded as a function of temperature, provide a way to characterize Martian hematite with respect to some of the physical and chemical characteristics. At Meridiani Planum besides the iron-sulfate mineral jarosite also the Fe-oxide hematite has been identified by the Moessbauer spectrometer, mainly in three distinct types of reservoir: - outcrop matrix material dominated by the mineral jarosite in the MB spectrum, certain basaltic soils, and mm-sized spherules dubbed blueberries. Moessbauer spectra of each reservoir yield a distinct set of hyperfine parameters for hematite, suggesting different degrees of crystallinity and particle size. The hematite found by MB instrument MIMOS II in the outcrop material shows the Morin transition at relatively high temperatures (ca. 250 K) which is an indication of pure and well-crystallized hematite. The source of the hematite in the `Blueberries' as identified by Moessbauer spectroscopy, and also by MiniTES, is not known. These spherules, covering nearly the whole landing site area (Eagle crater, plains, Endurance crater), may be concretions formed in the outcrop

  17. A new matrix for the ``ageless`` 21.6-keV {sup 151}Eu nuclear gamma ray Moessbauer source

    SciTech Connect

    Wynter, C.I.; Haustein, P.E.; Stadelmaier, H.; Thorpe, A.; Spijkerman, J.J.; Nowik, I.

    1993-03-01

    Moessbauer spectroscopy has been used over the past two decades to advance the study of europium compounds and alloys, primarily utilizing the 21.6-kev gamma ray emitted from beta decaying {sup 151}Sm. This isotope, which has a 87 year half-life, has been used in either a samarium fluoride (SmF{sup 3}) or samarium oxide (Sm{sub 2}O{sub 3}) matrix. We now report a study involving, europium oxalate decahydrate (Eu2(C{sub 2}O{sub 4}){center_dot}10H{sub 2}O), europium fluoride EuF{sub 3} and EuBe{sub l3} as absorbers at known thicknesses. Our data supports the view that Sm{sub 2}(C{sub 2}O{sub 4}){sub 3}{center_dot}H{sub 2}O will provide a better source matrix than either the fluoride or oxide due to the narrower linewidth and comparable ``f`` factor to {sup 151}SmF{sub 3}.

  18. A new matrix for the ageless'' 21. 6-keV [sup 151]Eu nuclear gamma ray Moessbauer source

    SciTech Connect

    Wynter, C.I. . Dept. of Chemistry); Haustein, P.E. ); Stadelmaier, H. ); Thorpe, A. . Dept. of Physics); Spijkerman, J.J. ); Nowik, I.

    1993-01-01

    Moessbauer spectroscopy has been used over the past two decades to advance the study of europium compounds and alloys, primarily utilizing the 21.6-kev gamma ray emitted from beta decaying [sup 151]Sm. This isotope, which has a 87 year half-life, has been used in either a samarium fluoride (SmF[sup 3]) or samarium oxide (Sm[sub 2]O[sub 3]) matrix. We now report a study involving, europium oxalate decahydrate (Eu2(C[sub 2]O[sub 4])[center dot]10H[sub 2]O), europium fluoride EuF[sub 3] and EuBe[sub l3] as absorbers at known thicknesses. Our data supports the view that Sm[sub 2](C[sub 2]O[sub 4])[sub 3][center dot]H[sub 2]O will provide a better source matrix than either the fluoride or oxide due to the narrower linewidth and comparable f'' factor to [sup 151]SmF[sub 3].

  19. Reflectivity (visible and near IR), Moessbauer, static magnetic, and X ray diffraction properties of aluminum-substituted hematites

    NASA Technical Reports Server (NTRS)

    Morris, Richard V.; Schulze, Darrell G.; Lauer, Howard V., Jr.; Agresti, David G.; Shelfer, Tad D.

    1992-01-01

    The effect of substituting iron by aluminum in polymorphs of Fe2O3 and FeOOH on their reflectivity characteristics was investigated by comparing data on visible and NIR reflectivities and on static magnetic, XRD, and Moessbauer properties for a family of aluminum-substituted hematites alpha-(Fe,Al)2O3, with compositions where the values of the Al/(Al+Fe) ratio were up to 0.61. Samples were prepared by oxidation of magnetite, dehydroxylation of goethite, and direct precipitation. The analytical methods used for obtaining diffuse reflectivity spectra (350-2200 nm), Moessbauer spectra, and static magnetic data are those described by Morris et al. (1989).

  20. Combined backscatter Moessbauer spectrometer/x ray fluorescence analyzer (BaMS/XRF) for extraterrestrial surfaces

    NASA Technical Reports Server (NTRS)

    Shelfer, T. D.; Wills, E. L.; Agresti, D. G.; Pimperl, M. M.; Shen, M. H.; Morris, R. V.; Nguyen, T.

    1993-01-01

    We have designed and tested a prototype combined backscatter Moessbauer spectrometer and x-ray fluorescence analyzer (BaMS/XRF). A space qualified instrument based on this design would be suitable for in-situ use on planetary missions to the surfaces of the Moon (Artemis and lunar outpost), Mars (MESUR), asteroids, or other solid solar system objects. The BaMS/XRF instrument is designed to be capable of concurrent sample analyses for the mineralogy of iron-bearing phases and elemental composition without the need for sample preparation.

  1. Mineralogical diversity (spectral reflectance and Moessbauer data) in compositionally similar impact melt rocks from Manicouagan Crater, Canada

    NASA Technical Reports Server (NTRS)

    Morris, R. V.; Bell, J. F., III; Golden, D. C.; Lauer, H. V., Jr.

    1993-01-01

    Meteoritic impacts under oxidizing surface conditions occur on both earth and Mars. Oxidative alteration of impact melt sheets is reported at several terrestrial impact structures including Manicouagan, West Clearwater Lake, and the Ries Basin. A number of studies have advocated that a significant fraction of Martian soil may consist of erosional products of oxidatively altered impact melt sheets. If so, the signature of the Fe-bearing mineralogies formed by the process may be present in visible and near infrared reflectivity data for the Martian surface. Of concern is what mineral assemblages form in impact melt sheets produced under oxidizing conditions and what their spectral signatures are. Spectral and Moessbauer data for 19 powder samples of impact melt rock from Manicouagan Crater are reported. Results show for naturally occurring materials that composite hematite-pyroxene bands have minima in the 910-nm region. Thus many of the anomalous Phobos-2 spectra, characterized by a shallow band minimum in the near-IR whose position varies between approximately 850 and 1000 nm, can be explained by assemblages whose endmembers (hematite and pyroxene) are accepted to be present on Mars. Furthermore, results show that a mineralogically diverse suite of rocks can be generated at essentially constant composition, which implies that variations in Martian surface mineralogy do not necessarily imply variations in chemical composition.

  2. Characterization of magnetite in silico-aluminous fly ash by SEM, TEM, XRD, magnetic susceptibility, and Moessbauer spectroscopy

    SciTech Connect

    Gomes, S.; Francois, M.; Abdelmoula, M.; Refait, P.; Pellissier, C.; Evrard, O.

    1999-11-01

    Spinel magnetite contained in a silico-aluminous fly ash (originating from la Maxe's power plant, near Metz in the east of France) issued from bituminous coal combustion has been studied by scanning and transmission electron microscopy linked with energy dispersive spectroscopy. X-ray diffraction, susceptibility measurements, and Moessbauer spectroscopy. The results show that in this magnetite Mg is strongly substituted for Fe and the chemical formula is closer to MgFe{sub 2}O{sub 4} than Fe{sub 3}O{sub 4}. Magnetite also contains Mn, Ca, and Si elements, but at a lower proportion. The results are compatible with the chemical formula Fe{sub 2.08}Mg{sub 0.75}Mn{sub 0.11}Ca{sub 0.04}Si{sub 0.02}O{sub 4} and crystallochemical formula [Fe{sup 2{minus}}{sub 0.92}Ca{sup 2+}{sub 0.06}Si{sup 4+}{sub 0.02}]{sup tetra}[Fe{sup 3+}Fe{sup 2+}{sub 0.16}Mg{sup 2+}{sub 0.73}Mn{sup 2+}{sub 0.11}]{sup octa}O{sub 4}, showing the cation distribution on octahedral and tetrahedral sites of the spinel structure. The reason Mg element is not incorporated in soluble surface salt and in glass composition of the silico-aluminous fly ashes is now understood.

  3. An East to West Mineralogical Trend in Mars Exploration Rover Spirit Moessbauer Spectra of Home Plate

    NASA Technical Reports Server (NTRS)

    Schroder, C.; Di, K.; Morris, R. V.; Klingelhofer, G.; Li, R.

    2008-01-01

    Home Plate is a light-toned plateau approx.90 m in diameter within the Inner Basin of the Columbia Hills in Gusev crater on Mars. It is the most extensive exposure of layered bedrock encountered by Spirit to date, and it is composed of clastic rocks of moderately altered alkali basalt composition, enriched in some highly volatile elements. Textural observations suggest an explosive origin and geochemical observations favor volcanism, probably a hydrovolcanic explosion [1]. Since it first arrived at Home Plate on sol 744, Spirit has circumnavigated the plateau (Fig. 1) and is now, since sol 1410, resting at its Winter Haven 3 location at the north end of Home Plate. Results: The MER Moessbauer spectrometers determine Fe oxidation states, identify Fe-bearing mineral phases and quantify the distribution of Fe among oxidation states and mineral phases [2]. Moessbauer spectra of Home Plate bedrock were obtained in five different locations from nine different targets (Fig. 1): Barnhill Ace, Posey Manager, and James Cool Papa Bell Stars at the northwest side of Home Plate; Pesapallo, June Emerson, and Elizabeth Emery on the east side; Texas Chili on the south side; Pecan Pie on the west side; and Chanute on the north side.

  4. The miniaturised Moessbauer spectrometer MIMOS II: future developments.

    NASA Astrophysics Data System (ADS)

    Rodionov, D.; Blumers, M.; Klingelhöfer, G.; Bernhardt, B.; Fleischer, I.; Schröder, C.; Morris, R.; Girones Lopez, J.

    2007-08-01

    In January 2004, the first in situ extraterrestrial Mössbauer spectrum was received from the Martian surface. At the present time (May 2007) two Miniaturized Mössbauer Spectrometers (MIMOS II) on board of the two Mars Exploration Rovers "Spirit" and "Opportunity" continue to collect valuable scientific data. Both spectrometers are operational after more than 3 years of work. Originally, the mission was expected to last for 90 days. To date more than 600 spectra were obtained with a total integration time for both rovers exceeding 260 days. The MER mission has proven that Mössbauer spectroscopy is a valuable technique for the in situ exploration of extraterrestrial bodies and the study of Fe-bearing samples. The Mössbauer team at the University of Mainz has accumulated a lot of experience and learned many lessons during last three years. All that makes MIMOS II a feasible choice for the future missions to Mars and other targets. Currently MIMOS II is on the scientific payload of two missions: Phobos Grunt (Russian Space Agency) and ExoMars (European Space Agency). Phobos Grunt is scheduled to launch in 2009. The main goals of the mission are: a) Phobos regolith sample return, b) Phobos in situ study, c) Mars and Phobos remote sensing. MIMOS II will be installed on the arm of a landing module. Currently, we are manufacturing an engineering model for testing purposes. The ESA "ExoMars" mission involves the development of a MER-like rover with more complex scientific payload (Pasteur exobiology instruments, including a drilling system). Its aim is to further characterise the biological environment in preparation for robotic missions and eventually human exploration. Data from the mission will provide invaluable input to the field of exobiology - the study of the origin, the evolution and distribution of life in the universe. The launch date is scheduled for 2013. Like on MER, the MIMOS II instrument will be mounted on a robotic arm. Advanced and improved version of

  5. Interpretation of the Moessbauer Spectra of the Magnetic Nanoparticles in Mouse Spleen

    SciTech Connect

    Chuev, Mikhail A.; Cherepanov, Valery M.; Polikarpov, Mikhail A.; Panchenko, Vladislav Y.; Deyev, Sergey M.; Mischenko, Iliya N.; Nikitin, Maxim P.

    2010-12-02

    We have developed a stochastic model for description of relaxation effects in the system of homogeneously magnetized single-domain particles and applied the model to the analysis of Moessbauer spectra of magnetic nanoparticles (Chemicell ARA) and mouse spleen after i.v. injection into animals. We estimate that the fraction of exogenous iron in nanoparticles in the mouse spleen 3 months after injection was 0.27{+-}0.03. The spectra of the residual nanoparticles in the spleen had almost the same isomer shift but smaller mean hyperfine magnetic field values indicating decrease in the magnetic anisotropy energy (size) of the particles compared to the initial ones in the course of biodegradation. Concentration of ferritin-like iron was about three-fold higher than that in the spleen of untreated animals showing ferritin-like forms in the mouse spleen.

  6. Moessbauer analysis of Lewisville, Texas, archaeological site lignite and hearth samples. Environmental geology notes

    SciTech Connect

    Shiley, R.H.; Hughes, R.E.; Cahill, R.A.; Konopka, K.L.; Hinckley, C.C.

    1985-01-01

    The Lewisville site, located in Denton County on the Trinity River north of Dallas, Texas, was thought to provide evidence of the earliest human activity in the western hemisphere. Radiocarbon dates of 37,000 to 38,000 B.P. determined for the site in the late 1950s conflicted with the presence of a Clovis point, which would fix the age of the site between 11,000 and 11,500 B.P. It was hypothesized (Johnson, 1982) that Clovis people were burning lignite from nearby outcrops: lignite in hearth residues would give older than actual ages by radiocarbon dating. X-ray diffraction and instrumental neutron-activation analysis proved inconclusive; however, Moessbauer spectroscopy indicated that hematite, a pyrite combustion product, was present in the ash. From this evidence the authors conclude that there is some support for the hypothesis.

  7. Moessbauer effect in Eu and EuO to pressures of 31 GPa

    SciTech Connect

    Taylor, R.D.

    1988-01-01

    We report /sup 151/Eu Moessbauer Effect measurements on Eu metal in the range 4 < T < 300 K and P < 12.5 GPa and on EuO for P < 31 GPa. Hydrostatic pressures using argon as the pressurizing medium were obtained in a simple Merrill-Bassett-type diamond anvil cell. Pressures were measured by the ruby fluorescence method. The 160-mCi /sup 151/SmF/sub 3/ source and the absorbers were held at the same temperature. The small sample size (about 8 ..mu..g) and rather large source diameter necessitated counting times of about one day per datum. Raw f-values of about 15% near 100 K reflected the efficient collimation of the 90 Ta 10 W gasket used/1/. 7 refs., 4 figs.

  8. Fe-Bearing Phases Identified by the Moessbauer Spectrometers on the Mars Exploration Rovers: An Overview

    NASA Technical Reports Server (NTRS)

    Morris, R. V.; Klingelhoefer, G.; Rodionov, D.; Yen, A.; Gellert, R.

    2006-01-01

    The twin Mars Exploration Rovers Spirit and Opportunity have explored the martian surface at Gusev Crater (GC) and Meridiani Planum (MP), respectively, for about two Earth years. The Moessbauer (MB) spectrometers on both rovers have analyzed an aggregate of 200 surface targets and have returned to Earth information on the oxidation state of iron, the mineralogical composition of Febearing phases, and the distribution of Fe among oxidation states and phases at the two landing sites [1-7]. To date, 15 component subspectra (10 doublets and 5 sextets) have been identified and most have been assigned to mineralogical compositions. Two subspectra are assigned to phases (jarosite and goethite) that are marker minerals for aqueous processes because they contain hydroxide anion in their structures. In this paper, we give an overview of the Febearing phases identified and their distributions at Gusev crater and Meridiani Planum.

  9. Fe-Bearing Phases Indentified by the Moessbauer Spectrometers on the Mars Exploration Rovers: An Overview

    NASA Technical Reports Server (NTRS)

    Morris, R. V.; Klingelhoefer, G.; Ming, D. W.; Schroeder, C.; Rodionov, D.; Yen, A.; Gellert, R.

    2006-01-01

    The twin Mars Exploration Rovers Spirit and Opportunity have explored the martian surface at Gusev Crater (GC) and Meridiani Planum (MP), respectively, for about two Earth years. The Moessbauer (MB) spectrometers on both rovers have analyzed an aggregate of approx.200 surface targets and have returned to Earth information on the oxidation state of iron, the mineralogical composition of Fe-bearing phases, and the distribution of Fe among oxidation states and phases at the two landing sites [1-7]. To date, 15 component subspectra (10 doublets and 5 sextets) have been identified and most have been assigned to mineralogical compositions. Two subspectra are assigned to phases (jarosite and goethite) that are marker minerals for aqueous processes because they contain hydroxide anion in their structures. In this paper, we give an overview of the Febearing phases identified and their distributions at Gusev crater and Meridiani Planum.

  10. Mineralogy at Gusev Crater and Meridiani Planum from the Moessbauer Spectrometers on the Mars Exploration Rovers

    NASA Technical Reports Server (NTRS)

    Morris, Richard V.; Klingelhoefer, Goestar

    2006-01-01

    The Moessbauer spectrometers on the twin MER rovers Spirit and Opportunity have provided significant new information on the distribution of iron among its oxidation states, the identification of the mineralogical composition of iron-bearing phases, and the distribution of iron among those phases for rock and soil at Gusev Crater and Meridiani Planum. The plains of Gusev Crater are dominated by olivine-bearing basalt (approximately Fo(60)) and Fe(3+)/Fe(total)=0.1 - 0.5. The oxide mineral generally present is magnetite. In contrast, initial results for the Columbia Hills are consistent with the presence of hematite and a ferrous iron phase, possibly pyroxene. Gusev spectra also have a ferric doublet (not jarosite) that is tentatively associated with nano-phase ferric oxide. A wider diversity of material is present at Meridiani Planum. Significantly, jarosite-bearing outcrop is present throughout the region, with good exposures in impact craters such as Eagle and Endurance (Fe(3+)/Fe (total) approx. 0.9). The Moessbauer identification of jarosite (a hydroxyl-bearing sulfate mineral) is evidence for aqueous, acid-sulfate processes on Mars. Hematite is observed within the outcrop matrix and in the spheroidal particles (Blueberries) found within the outcrop and as a surface lag. An isolated rock (Bounce Rock) was the only sample at either landing site whose iron-bearing phase was dominated by pyroxene. The basaltic sand in the central portion of Eagle crater, in the intercrater plains, and between slabs of outcrop at both Eagle and Endurance craters is olivine-bearing basalt. The widespread occurrence of olivine-bearing basalt at both MER landing sites implies that physical, rather than chemical, weathering processes dominate at the surface of contemporary Mars.

  11. Design and Construction of an Autonomous Low-Cost Pulse Height Analyzer and a Single Channel Analyzer for Moessbauer Spectroscopy

    SciTech Connect

    Velasquez, A.A.; Trujillo, J.M.; Morales, A.L.; Tobon, J.E.; Gancedo, J.R.; Reyes, L.

    2005-04-26

    A multichannel analyzer (MCA) and a single channel-analyzer (SCA) for Moessbauer spectrometry application have been designed and built. Both systems include low-cost digital and analog components. A microcontroller manages, either in PHA or MCS mode, the data acquisition, data storage and setting of the pulse discriminator limits. The user can monitor the system from an external PC through the serial port with the RS232 communication protocol. A graphic interface made with the LabVIEW software allows the user to adjust digitally the lower and upper limits of the pulse discriminator, and to visualize as well as save the PHA spectra in a file. The system has been tested using a 57Co radioactive source and several iron compounds, yielding satisfactory results. The low cost of its design, construction and maintenance make this equipment an attractive choice when assembling a Moessbauer spectrometer.

  12. The Role of Iron in the Enhancement of Negative Magnetoresistance in La0.8Sr0.2FexCo1-xO3-z

    SciTech Connect

    Nemeth, Z.; Homonnay, Z.; Vertes, A.; Hakl, J.; Vad, K.; Meszaros, S.; Lackner, B.; Kellner, K.; Gritzner, G.; Greneche, J.M.; Lindbaum, A.

    2005-04-26

    The role of iron in enhancing the magnetoresistance in the compounds La0.8Sr0.2FexCo1-xO3-z was investigated by studying the electronic and magnetic structure of La0.8Sr0.2FexCo1-xO3-z as a function of temperature. For this purpose 57Fe transmission Moessbauer spectroscopy, magnetoresistance, as well as AC and DC magnetization measurements were applied. The detailed study of the temperature dependence of 57Fe Moessbauer parameters gave possibility to explore correlations between the local electronic and magnetic state of iron and the magnetic susceptibility as well as magnetoresistance in La0.8Sr0.2FexCo1-xO3-z. On the basis of the obtained results an attempt was made to explain the exotic magnetic and MR properties of these perovskites.

  13. Moessbauer Effects and Magnetic Properties of Mixed Valent Europium Sulfide, EuPd

    SciTech Connect

    Wakeshima, Makoto; Doi, Yoshihiro; Hinatsu, Yukio

    2001-02-15

    EuPd{sub 3}S{sub 4} with a NaPt{sub 3}O{sub 4}-type structure was investigated by X-ray diffraction, {sup 151}Eu Moessbauer spectroscopy, magnetic susceptibility, and specific heat measurements. In this compound, Eu{sup 2+} and Eu{sup 3+} ions exist in the ratio of ca. 1:1. The Debye temperatures of Eu{sup 2+} and Eu{sup 3+} were determined to be 195 and 220 K, respectively. The isomer shift of Eu{sup 2+} in this EuPd{sub 3}S{sub 4} at 300 K is largest among Eu{sup 2+} sulfides because of the compression effect of the Eu{sup 2+} sites. The temperature dependence of the isomer shifts suggests that a hopping of the electron between Eu{sup 2+} and Eu{sup 3+} occurs in EuPd{sub 3}S{sub 4}. The Eu{sup 2+} ion was found to be in the antiferromagnetic state below 3 K from both the magnetic susceptibility and specific heat measurements.

  14. Iron Mineralogy and Aqueous Alteration on Mars from the MER Moessbauer Spectrometers. Chapter 15

    NASA Technical Reports Server (NTRS)

    Morris, Richard V.; Klingelhoefer, Goestar

    2007-01-01

    The twin Mars Exploration Rovers Spirit (Gusev crater) and Opportunity (Meridiani Planum) used MIMOS II Moessbauer spectrometers to analyze martian surface materials in the first application of extraterrestrial Moessbauer spectroscopy. The instruments acquired spectra that identified the speciation of Fe according to oxidation state, coordination state, and mineralogical composition and provided quantitative information about the distribution of Fe among oxidation states, coordination states, and Fe-bearing phases. A total of 12 unique Fe-bearing phases were identified: Fe(2+) in olivine, pyroxene, and ilmenite; Fe(2+) and Fe(3+) in magnetite and chromite; Fe(3+) in nanophase ferric oxide (npOx), hematite, goethite, jarosite, an unassigned Fe3+ sulfate, and an unassigned Fe(3+) phase associated with jarosite; and Fe(0) in kamacite. Weakly altered basalts at Gusev crater (SO3 = 2.5 +/- 1.4 wt.% and Fe(3+)/Fe(sub T) = 0.24 +/- 0.11) are widespread on the Gusev plains and occur in less abundance on West Spur and Husband Hill in the Columbia Hills. Altered low-S rocks (SO3 = 5.2 +/- 2.0 wt.% and Fe(3+)/Fe(sub T) = 0.63 +/- 0.18) are the most common type of rock in the Columbia Hills. Ilm-bearing, weakly altered basalts were detected only in the Columbia Hills, as was the only occurrence of chromite in an altered low-S rock named Assemblee. Altered high-S rocks (SO3 > 14.2 wt.% and Fe(3+)/Fe(sub T) = 0.83 +/- 0.05) are the outcrop rocks of the ubiquitous Burns formation at Meridiani Planum. Two Fe(0)-bearing rocks at Meridiani Planum (Barberton and Heat Shield Rock) are meteorites. Laguna Class soil is weakly altered (SO3 = 6 +/- 2 wt.% and Fe(3+)/Fe(sub T) = 0.29 +/- 0.08) and widely distributed at both Gusev crater and Meridiani Planum, implying efficient global mixing processes or a global distribution of precursor rocks with comparable Fe mineralogical compositions. Paso Robles Class soil is heavily altered (SO3 approx. 31 wt.% and Fe(3+)/Fe(sub T) = 0.83 +/- 0

  15. Moessbauer Mineralogical Evidence for Aqueous Processes at Gusev Crater and Meridiani Planum

    NASA Astrophysics Data System (ADS)

    Morris, R. V.; Klingelhoefer, G.

    2004-12-01

    The Moessbauer spectrometers on the MER rovers have measured the relative abundances of iron with respect to both oxidation state and iron-bearing phase at Gusev Crater (Spirit rover) and Meridiani Planum (Opportunity rover). The assemblage of phases indicates aqueous alteration processes at both landing sites. Although the rock and soil of the Gusev Crater plains are dominated by Fe(2+) in olivine-bearing basalt (~Fo60), a Fe(3+)-rich component (nanophase ferric oxide, np-Ox) has significant abundance in surface soils (13-28% of total Fe) and in the surface coatings (rinds) of certain rocks (39%) but not in rock interiors exposed by grinding (5-6%). The mode of occurrence of np-Ox implies that it is the product of oxidative alteration of Fe(2+) silicate and oxide phases in the presence of H2O. The ubiquitous presence of sulfur in soil and in rock coatings, as determined by the MER-A APXS instrument, suggests that the alteration occurred under acid-sulfate conditions, so that both hydrolytic and sulfatic reactions are viable. A possible source for the weathering agents is volcanic emanations rich in H2O and SO2. Generally, rocks in the Columbia Hills are significantly more altered than those in the Gusev plains, with a higher proportion of Fe(3+) oxide phases compared to Fe(2+) silicate phases. This mineralogical dichotomy implies a difference in the timing, rate, duration, and/or mechanism of alteration for basaltic material in the Gusev plains compared to basaltic material in the Columbia Hills. It is possible, for example, that the basaltic material in the Columbia Hills underwent aqueous alteration in a paleoclimate that favored nearly complete alteration and that the basaltic material of the Gusev plains will not achieve the degree of alteration exhibited by the Columbia Hills under current martian surface conditions. Because its structure contains the hydroxide anion, the Moessbauer detection of the hydroxide sulfate jarosite (K,Na)Fe3(SO4)2(OH)6 in outcrops

  16. Moessbauer Spectroscopy for Lunar Resource Assessment: Measurement of Mineralogy and Soil Maturity

    NASA Technical Reports Server (NTRS)

    Morris, R. V.; Agresti, D. G.; Shelfer, T. D.; Pimperl, M. M.; Shen, M.-H.; Gibson, M. A.; Wills, E. L.

    1992-01-01

    First-order assessment of lunar soil as a resource includes measurement of its mineralogy and maturity. Soils in which the mineral ilmenite is present in high concentrations are desirable feedstock for the production of oxygen at a lunar base. The maturity of lunar soils is a measure of their relative residence time in the upper 1 mm of the lunar surface. Increasing maturity implies increasing load of solar wind species (e.g., N, H, and He-3), decreasing mean grain size, and increasing glass content. All these physicochemical properties that vary in a regular way with maturity are important parameters for assessing lunar soil as a resource. For example, He-3 can be extracted and potentially used for nuclear fusion. A commonly used index for lunar soil maturity is I(sub s)/FeO, which is the concentration of fine-grained metal determined by ferromagnetic resonance (I(sub s)) normalized to the total iron content (as FeO). I(sub s)/FeO has been measured for virtually every soil returned by the Apollo and Luna missions to the Moon. Because the technique is sensitive to both oxidation state and mineralogy, iron Moessbauer spectroscopy (FeMS) is a viable technique for in situ lunar resource assessment. Its utility for mineralogy is apparent from examination of published FeMS data for lunar samples. From the data published, it can be inferred that FeMS data can also be used to determine soil maturity. The use of FeMS to determine mineralogy and maturity and progress on development of a FeMS instrument for lunar surface use are discussed.

  17. Moessbauer Mineralogical Evidence for Aqueous Processes at Gusev Crater and Meridiani Planum

    NASA Technical Reports Server (NTRS)

    Morris, R. V.; Klingelhoefer, G.

    2006-01-01

    The Moessbauer spectrometers on the MER rovers have measured the relative abundances of iron with respect to both oxidation state and iron-bearing phase at Gusev Crater (Spirit rover) and Meridiani Planum (Opportunity rover). The assemblage of phases indicates aqueous alteration processes at both landing sites. Although the rock and soil of the Gusev Crater plains are dominated by Fe(2+) in olivine-bearing basalt (approx.Fo60), a Fe(3+)-rich component (nanophase ferric oxide, np-Ox) has significant abundance in surface soils (13-28% of total Fe) and in the surface coatings (rinds) of certain rocks (39%) but not in rock interiors exposed by grinding (5-6%). The mode of occurrence of np-Ox implies that it is the product of oxidative alteration of Fe(2+) silicate and oxide phases in the presence of H2O. The ubiquitous presence of sulfur in soil and in rock coatings, as determined by the MER-A APXS instrument, suggests that the alteration occurred under acid-sulfate conditions, so that both hydrolytic and sulfatic reactions are viable. A possible source for the weathering agents is volcanic emanations rich in H2O and SO2. Generally, rocks in the Columbia Hills are significantly more altered than those in the Gusev plains, with a higher proportion of Fe(3+) oxide phases compared to Fe(2+) silicate phases. This mineralogical dichotomy implies a difference in the timing, rate, duration, and/or mechanism of alteration for basaltic material in the Gusev plains compared to basaltic material in the Columbia Hills. It is possible, for example, that the basaltic material in the Columbia Hills underwent aqueous alteration in a paleoclimate that favored nearly complete alteration and that the basaltic material of the Gusev plains will not achieve the degree of alteration exhibited by the Columbia Hills under current martian surface conditions.

  18. Phase analytical studies of industrial copper smelting slags. Part I: Silicate slags

    NASA Astrophysics Data System (ADS)

    Rüffler, R.; Dávalos, J.

    1998-12-01

    The pyrometallurgical extraction of copper from sulfide ore concentrates is determined by the behaviour of the associated iron during smelting. Hence, 57Fe Mössbauer spectroscopy is an attractive tool for studying the phases in silicate slags from German and Chilean smelting plants. Other methods used were ore microscopy, electron microprobe analysis, and X-ray powder diffraction.

  19. Ultra-soft magnetic properties and correlated phase analysis by 57Fe Mössbauer spectroscopy of Fe74Cu0.8Nb2.7Si15.5B7 alloy

    NASA Astrophysics Data System (ADS)

    Manjura Hoque, S.; Liba, S. I.; Anirban, A.; Choudhury, Shamima; Akhter, Shireen

    2016-02-01

    A detailed study of magnetic softness has been performed on FINEMENT type of ribbons by investigating the BH loop with maximum applied field of 960 A/m. The ribbon with the composition of Fe74Cu0.8Nb2.7Si15.5B7 was synthesized by rapid solidification technique and the compositions volume fraction was controlled by changing the annealing condition. Detail phase analysis was performed through X-ray diffraction (XRD), Differential scanning calorimetry (DSC), Vibrating sample magnetometer (VSM) and Mössbauer spectroscopy in order to correlate the ultrasoft magnetic properties with the volume fraction of amorphous and α-Fe(Si) soft nano composites. Bright (BF) and dark field (DF) image with selective area diffraction (SAD) patterns by the transmission electron microscopy (TEM) of the sample annealed for the optimized annealed condition at 853 K for 3 min reveals nanocrystals with an average size between 10-15 nm possessing the bcc structure which matches with the grain size revealed by the X-ray diffraction. Kinetics of crystallization of α-Fe(Si) phases has been determined by DSC curves. Extremely small coercivity of 30.9 A/m and core loss of 2.5 W/Kg for the sample annealed at 853 K for 3 min was found. Similar values for other crystalline conditions were determined by using BH loop tracer with a maximum applied field of around 960 A/m. Mössbauer spectroscopy was used to determine chemical shift, hyperfine field distribution (HFD), and peak width of different phases. The volume fractions of the relative amount of amorphous and crystalline phases are also determined by Mössbauer spectroscopy. High saturation magnetization along with ultrasoft magnetic properties exhibits very high potentials technological applications.

  20. Combined Backscatter Moessbauer Spectrometer and X Ray Fluorescence analyzer (BaMS/XRF) for planetary surface materials

    NASA Technical Reports Server (NTRS)

    Agresti, D. G.; Shelfer, T. D.; Pimperl, M. M.; Wills, E. L.; Morris, R. V.

    1991-01-01

    A backscatter Moessbauer spectrometer (BaMS) with included x ray fluorescence (XRF) capability for the Mars Environment Survey (MESUR) Mission, which has been proposed by NASA for 1998, is being developed. The instrument will also be suitable for other planetary missions such as those to the Moon, asteroids, and other solid solar-system objects. The BaMS would be unique for MESUR in providing information about iron mineralogy in rocks, clays, and other surface materials, including relative proportions of iron-bearing minerals. It requires no sample preparation and can identify all the normal oxidation states of iron (3+, 2+, 0). Thus, BaMS is diagnostic for weathering and other soil-forming processes. Backscatter design allows the addition of XRF elemental analysis with little or no modification. The BaMS/XRF instrument complements the thermal analyzer with evolved gas analyzer (TA-EGA) and the alpha-proton x-ray spectrometer (APXS) proposed (along with BaMS) for geochemical analysis on MESUR.

  1. Moessbauer spectroscopy and magnetic characteristics of Zn{sub 1-x}Co{sub x}Fe{sub 2}O{sub 4} (x = 0-1) nanoparticles

    SciTech Connect

    Ghasemi, Ali; Sepelak, Vladimir; Shirsath, Sagar E.; Liu Xiaoxi; Morisako, Akimitsu

    2011-04-01

    Zn{sub 1-x}Co{sub x}Fe{sub 2}O{sub 4} (x = 0-1 in a step of 0.2) nanoparticles with different range of particle size including 5-10 nm and 200-250 nm have been prepared by sol-gel process. Moessbauer spectra at room temperature indicated that, with increasing cobalt content, there is a transition from paramagnetic to magnetically ordered-ferrimagnetic state. Magnetic properties were measured at 300 and 10 K using a Quantum Design MPMS-5S SQUID magnetometer. It was found that with an increase in cobalt content the saturation magnetization and coercivity increase.

  2. Effect of Cu and Zn Substitutions on MnSb Properties

    SciTech Connect

    Mitsiuk, V. I.; Ryzhkovskii, V. M.; Tkachenka, T. M.

    2008-10-28

    The NiAs-type solid solutions based on manganese antimonide Mn{sub 1.1}Sb with Zn or Cu (up to 10 at % of substituting component) have been studied by {sup 57}Fe Moessbauer spectroscopy. It has been shown that the replacement of the manganese antimonide by Cu or Zn does not appreciably affect the main Moessbauer parameters in comparison to those of the parent compound. Two different values of hyperfine magnetic field at Fe are present in all the samples and can be attributed to the metal atoms located in MeI and MeII positions. The substitution of Cu or Zn for manganese antimonide leads to the redistribution of the metal atoms between two cation sublattices.

  3. Magnetic, ferroelectric, and spin phonon coupling studies of Sr3Co2Fe24O41 multiferroic Z-type hexaferrite

    NASA Astrophysics Data System (ADS)

    Raju, N.; Shravan Kumar Reddy, S.; Ramesh, J.; Gopal Reddy, Ch.; Yadagiri Reddy, P.; Rama Reddy, K.; Sathe, V. G.; Raghavendra Reddy, V.

    2016-08-01

    The magnetic, Raman, ferroelectric, and in-field 57Fe Mössbauer studies of polycrystalline multiferroic Sr3Co2Fe24O41 are reported in this paper. From the magnetization studies, it is observed that the sample is soft magnetic in nature with low temperature magnetic spin transitions like longitudinal to transverse conical structure around 130 K and change in magnetic crystalline anisotropy from conical to planar structure at 250 K. Ferroelectric studies of the sample exhibit the spontaneous polarization at low temperature. Strong spin phonon and spin lattice coupling is observed through low temperature Raman spectroscopy. From the in-field 57Fe Mössbauer spectroscopy, spin up and spin down site occupations of Fe ions are calculated in the unit cell.

  4. Innovative instrumentation for mineralogical and elemental analyses of solid extraterrestrial surfaces: The Backscatter Moessbauer Spectrometer/X Ray Fluorescence analyzer (BaMS/XRF)

    NASA Technical Reports Server (NTRS)

    Shelfer, T. D.; Morris, Richard V.; Nguyen, T.; Agresti, D. G.; Wills, E. L.

    1994-01-01

    We have developed a four-detector research-grade backscatter Moessbauer spectrometer (BaMS) instrument with low resolution x-ray fluorescence analysis (XRF) capability. A flight-qualified instrument based on this design would be suitable for use on missions to the surfaces of solid solar-system objects (Moon, Mars, asteroids, etc.). Target specifications for the flight instrument are as follows: mass less than 500 g; volumes less than 300 cu cm; and power less than 2 W. The BaMS/XRF instrument would provide data on the oxidation state of iron and its distribution among iron-bearing mineralogies and elemental composition information. This data is a primary concern for the characterization of extraterrestrial surface materials.

  5. Zn-exchange and Mössbauer studies on the [Fe-Fe] derivatives of the purple acid Fe(III)-Zn(II)-phosphatase from kidney beans.

    PubMed

    Suerbaum, H; Körner, M; Witzel, H; Althaus, E; Mosel, B D; Müller-Warmuth, W

    1993-05-15

    In order to perform Mössbauer studies, Zn(II) in the Fe(III)-Zn(II) purple acid phosphatase of the red kidney bean has been exchanged by incubating the semiapoenzyme with 57Fe(II). The resulting Fe(III)-57Fe(II) enzyme has 125% activity, compared with that of the Zn(II) enzyme. It can be oxidized by H2O2 or peroxydisulfate to the Fe(III)-57Fe(III) species with a 30-times lower activity. Incubation of the metal-free apoenzyme with 57Fe(II) in the presence of O2 leads to the 57Fe(III)-57Fe(II) species which is stable in dilute solutions, but partially oxidized during the concentration procedure to the 57Fe(III)-57Fe(III) enzyme. Limited reduction of the oxidized enzyme with ascorbate delivers a mixture of the Fe(II)-Fe(II)/Fe(III)-Fe(III) species, but not the mixed valent Fe(III)-Fe(II) species, indicating that after the transfer of the first electron the second electron of the ascorbate radical is immediately transferred to the second Fe(III). The Mössbauer spectra of the oxidized species show at 4.2 K two quadrupole doublets with delta of 0.51 mm/s and 0.53 mm/s and delta E of 1.46 and 0.96 mm/s indicating high spin Fe(III) in two different binding sites, obviously with a higher asymmetry in the chromophoric Fe(III) site. The values are too low for a mu-oxo bridge. The mixed-valent Fe(III)-Fe(II) species shows two quadrupole doublets with delta values of 0.55 mm/s and 1.14 mm/s and delta E values of 1.43 mm/s and 3.01 mm/s at 70 K for high spin Fe(II) and Fe(III), but the signal of the Fe(II) component shows magnetic patterns at 4.2 K indicating a half-integer spin system with antiferromagnetic coupling. The Fe(II)-Fe(II) system exhibits two quadrupole doublets with delta values of 1.18 mm/s and 1.22 mm/s and with delta E values of 3.69 mm/s and 2.68 mm/s again indicating a higher asymmetry in the originally chromophoric Fe(III)-binding site. Addition of phosphate shows only minor differences in the oxidized enzyme and in the mixed valent Fe(III)-Fe(II) system

  6. Zn-exchange and Mössbauer studies on the [Fe-Fe] derivatives of the purple acid Fe(III)-Zn(II)-phosphatase from kidney beans.

    PubMed

    Suerbaum, H; Körner, M; Witzel, H; Althaus, E; Mosel, B D; Müller-Warmuth, W

    1993-05-15

    In order to perform Mössbauer studies, Zn(II) in the Fe(III)-Zn(II) purple acid phosphatase of the red kidney bean has been exchanged by incubating the semiapoenzyme with 57Fe(II). The resulting Fe(III)-57Fe(II) enzyme has 125% activity, compared with that of the Zn(II) enzyme. It can be oxidized by H2O2 or peroxydisulfate to the Fe(III)-57Fe(III) species with a 30-times lower activity. Incubation of the metal-free apoenzyme with 57Fe(II) in the presence of O2 leads to the 57Fe(III)-57Fe(II) species which is stable in dilute solutions, but partially oxidized during the concentration procedure to the 57Fe(III)-57Fe(III) enzyme. Limited reduction of the oxidized enzyme with ascorbate delivers a mixture of the Fe(II)-Fe(II)/Fe(III)-Fe(III) species, but not the mixed valent Fe(III)-Fe(II) species, indicating that after the transfer of the first electron the second electron of the ascorbate radical is immediately transferred to the second Fe(III). The Mössbauer spectra of the oxidized species show at 4.2 K two quadrupole doublets with delta of 0.51 mm/s and 0.53 mm/s and delta E of 1.46 and 0.96 mm/s indicating high spin Fe(III) in two different binding sites, obviously with a higher asymmetry in the chromophoric Fe(III) site. The values are too low for a mu-oxo bridge. The mixed-valent Fe(III)-Fe(II) species shows two quadrupole doublets with delta values of 0.55 mm/s and 1.14 mm/s and delta E values of 1.43 mm/s and 3.01 mm/s at 70 K for high spin Fe(II) and Fe(III), but the signal of the Fe(II) component shows magnetic patterns at 4.2 K indicating a half-integer spin system with antiferromagnetic coupling. The Fe(II)-Fe(II) system exhibits two quadrupole doublets with delta values of 1.18 mm/s and 1.22 mm/s and with delta E values of 3.69 mm/s and 2.68 mm/s again indicating a higher asymmetry in the originally chromophoric Fe(III)-binding site. Addition of phosphate shows only minor differences in the oxidized enzyme and in the mixed valent Fe(III)-Fe(II) system

  7. Mössbauer study on the orientations of the hyperfine interactions at57Fe in [Fe(H2O)6](NH4)2(SO4)2 exposing absorber and57Co:Rh source to high magnetic fields

    NASA Astrophysics Data System (ADS)

    Doerfler, R.

    1984-11-01

    Single crystal Mössbauer spectra of the paramagnetic salt [Fe(H2O)6)(NH4)2(SO4)2 at 4.2 K and in fields up to 5 T yield unique results on the EFG and the effective field H eff at the nucleus if one uses polarized γ-rays. Especially the direction of the effective field is determined uniquely. The ordinary57Co:Rh source is polarized at room temperature in the stray field of that magnet, which produces the field at the position of the absorber. Polarization and thickness of the absorber are taken into account.

  8. Studies on organometallic oxidants: Structure, redox properties, and magnetism of (C sub 5 H sub 5 )VBr sub 3 and (C sub 5 H sub 5 )VI sub 3

    SciTech Connect

    Morse, D.B.; Rauchfuss, T.B.; Wilson, S.R. )

    1991-02-20

    The preparation and properties of CpVBr{sub 3} and CpVI{sub 3} (Cp = {eta}{sup 5}-C{sub 5}H{sub 5}) are described. The compound CpVBr{sub 3} exhibits an E{sub 1/2} of 510 mV (vs Ag/AgCl) and is able to oxidize ferrocene. The salt (Cp{sub 2}Fe)(CpVBr{sub 3}) was characterized by infrared spectroscopy ({nu}{sub CH}(Cp{sub 2}Fe) = 857 cm{sup {minus}1}), {sup 57}Fe Moessbauer spectroscopy at 295 K ({delta}{sub 1} = 0.35, {delta}{sub 2} = 0.421 mm/s) and 150 K, variable-temperature magnetic susceptibility ({mu}{sub eff}(300 K) = 3.75 {mu}{sub B}), and H NMR spectroscopy. While CpVBr{sub 3} is more oxidizing than CpVCl{sub 3}, the authors find that CpVI{sub 3} is less oxidizing (E{sub 1/2} = 425 mV). In solution CpVI{sub 3} exists as two distinct species as shown by H NMR spectroscopy. The structure of CpVI{sub 3} was solved in the orthorhombic space group Pn2{sub 1}a (no. 33, alternate setting) with the lattice constants a = 11.847 (4) {Angstrom}, b = 11.304 (3) {Angstrom}, c = 7.532 (1) {Angstrom}, and Z = 4.

  9. Spectroscopic studies of superconductors. Part B: Tunneling, photoelectron, and other spectra

    SciTech Connect

    Bozovic, I.; Marel, D. van der

    1996-12-31

    Part B is divided into the following sections: (1) tunneling, photoelectron, and other spectra; (2) tunneling spectra: theoretical studies; (3) photoelectron spectra; and (4) other spectra (XAFS, RBS, ESR, Moessbauer, thermoreflectance, etc.). Separate abstracts were prepared for most papers in this volume.

  10. Evidence for pigmentary hematite on Mars based on optical, magnetic, and Moessbauer studies of superparamagnetic (nanocrystalline) hematite

    NASA Technical Reports Server (NTRS)

    Morris, Richard V.; Agresti, David G.; Newcomb, Jeffery A.; Shelfer, Tad D.; Lauer, Howard V., Jr.

    1989-01-01

    Samples containing variable amounts of superparamagnetic hematite (sp-Hm) were prepared by a method in which the sp-Hm particles were dispersed throughout larger particles of silica gel, and the optical and magnetic properties of these samples were compared with those of larger-diameter hematite (bulk-Hm). It is shown that the optical properties of sp-Hm are different from those of bulk-Hm. Implications of the results for mineralogical interpretations of spectral data for the Martian surface and its terrestrial analogues are discussed. It is concluded that features resulting from ferric iron in the Martian spectral data and the results of the Viking magnetic properties experiment are both consistent with hematite present as both sp-Hm and bulk-Hm; the hematite particles most likely occur in pigmentary form, i.e., as particles dispersed throughout the volume of a spectrally neutral material.

  11. Magnetite in Martian Meteorite Mil 03346 and Gusev Adirondack Class Basalt: Moessbauer Evidence for Variability in the Oxidation State of Adirondack Lavas

    NASA Technical Reports Server (NTRS)

    Morris, R. V.; McKay, G. A.; Ming, D. W.; Klingelhoefer, G.; Schroeder, C.; Rodionov, D.; Yen, A.

    2006-01-01

    The Moessbauer spectrometers on the Mars Exploration Rovers Spirit (Gusev crater) and Opportunity (Meridiani Planum) have returned information on the oxidation state of iron, the mineralogical composition of Fe-bearing phases, and the distribution of Fe among oxidation states and phases [1,2,3]. To date, 100 and 85 surface targets have been analyzed by the Spirit and Opportunity spectrometers, respectively. Twelve component subspectra (8 doublets and 4 sextets) have been identified and most have been assigned to mineralogical compositions [4]. Two sextet subspectra result from the opaque and strongly magnetic mineral magnetite (Fe3O4 for the stoichiometric composition), one each for the crystallographic sites occupied by tetrahedrally-coordinated Fe3+ and by octahedrally-coordinated Fe3+ and Fe2+. At Gusev crater, the percentage of total Fe associated with magnetite for rocks ranges from 0 to 35% (Fig. 1) [3]. The range for soils (5 to 12% of total Fe from Mt, with one exception) is narrower. The ubiquitous presence of Mt in soil firmly establishes the phase as the strongly magnetic component in martian soil

  12. Exploration of synchrotron Mossbauer micrscopy with micrometer resolution: forward and a new backscattering modality on natural samples

    SciTech Connect

    Yan, L.; Zhao, J.; Toellner, T.S.; Divan, R.; Xu, S.; Cai, Z.; Boesenberg, J.S.; Freidrich, J.M.; Cramer, S.P.; Alp, E.E.

    2012-01-01

    New aspects of synchrotron Moessbauer microscopy are presented. A 5 {micro}m spatial resolution is achieved, and sub-micrometer resolution is envisioned. Two distinct and unique methods, synchrotron Moessbauer imaging and nuclear resonant incoherent X-ray imaging, are used to resolve spatial distribution of species that are chemically and magnetically distinct from one another. Proof-of-principle experiments were performed on enriched {sup 57}Fe phantoms, and on samples with natural isotopic abundance, such as meteorites.

  13. The 57Fe Mössbauer parameters of pyrite and marcasite with different provenances

    USGS Publications Warehouse

    Evans, B.J.; Johnson, R.G.; Senftle, F.E.; Cecil, C.B.; Dulong, F.

    1982-01-01

    The Mössbauer parameters of pyrite and marcasite exhibit appreciable variations, which bear no simple relationship to the geological environment in which they occur but appear to be selectively influenced by impurities, especially arsenic, in the pyrite lattice. Quantitative and qualitative determinations of pyrite/marcasite mechanical mixtures are straightforward at 298 K and 77 K but do require least-squares computer fittings and are limited to accuracies ranging from ±5 to ±15 per cent by uncertainties in the parameter values of the pure phases. The methodology and results of this investigation are directly applicable to coals for which the presence and relative amounts of pyrite and marcasite could be of considerable genetic significance.

  14. Investigations of Iron Minerals Formed by Dissimilatory Alkaliphilic Bacterium with 57Fe Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Chistyakova, N. I.; Rusakov, V. S.; Shapkin, A. A.; Zhilina, T. N.; Zavarzina, D. G.; Lančok, A.; Kohout, J.

    2010-07-01

    Anaerobic alkaliphilic bacterium of Geoalkalibacter ferrihydriticus type (strain Z-0531), isolated from a bottom sediment sample from the weakly mineralized soda Lake Khadyn, have been analyzed. The strain uses the amorphous Fe(III)-hydroxide (AFH) as an electron acceptor and acetate CH3COO- as an electron donor. Mössbauer investigations of solid phase samples obtained during the process of the bacterium growth were carried out at room temperature, 77.8 K, 4.2 K without and with the presence of an external magnetic field (6 T) applied perpendicular to the γ-bebam.

  15. Effect of uniaxial tensile stress on the isomer shift of 57Fe in fcc stainless steels

    NASA Astrophysics Data System (ADS)

    Ratner, E.; Ron, M.

    1982-05-01

    The electron wave-function response to uniaxial tensile stress in fcc steels (SS310 and SS316) was investigated through the isomer shift of the Mössbauer effect. Stresses up to 12 kbar (the ultimate tensile stress is approximately 14 kbar) were applied at room temperature. The isomer shift changes linearly in these circumstances. It is concluded that, as in the case of hydrostatic pressure, the paramount factor here is the volume strain of the wave functions of 4S electrons.

  16. Application of 57Co emission Mössbauer spectroscopy to studying biocomplexes in frozen solutions

    NASA Astrophysics Data System (ADS)

    Kamnev, A. A.; Kulikov, L. A.; Perfiliev, Yu. D.; Antonyuk, L. P.; Kuzmann, E.; Vértes, A.

    2005-09-01

    Emission Mössbauer spectroscopy with the 57Co isotope was used to study very dilute rapidly frozen aqueous solutions of cobalt(II) complexes with low-molecular-weight biomolecules (aromatic amino acids anthranilic acid and L-tryptophan) and within a sophisticated biopolymer, bacterial glutamine synthetase, a key enzyme of nitrogen metabolism. The appearance of after-effects of the 57Co→57Fe nuclear transformation as well as the coordination properties of the cation and the ligands in the complexes are discussed on the basis of their Mössbauer parameters.

  17. Mössbauer study of novel iron(II)-dioxime complexes with branched alkyl chains

    NASA Astrophysics Data System (ADS)

    Kuzmann, E.; Lengyel, A.; Homonnay, Z.; Várhelyi, Cs.; Klencsár, Z.; Kubuki, S.; Szalay, R.

    2014-04-01

    Novel iron(II) oxime complexes with dimethyl-glyoxime, methyl-ethyl-glyoxime, methyl-isopropyl-glyoxime, [Fe(DioxH)2L2] with and without axial ligands have been synthesized. 57Fe Mössbauer spectroscopy showed different spin states in complexes with short alkyl chain and with branched alkyl chain, respectively. It was shown that the asymmetry observed in the doublet line intensity of iron-bis-glyoximes is due to the texture effect. The effect of back-coordination was also studied in the case of iron-bis-dioxime complexes with branched alkyl chains, having different axial ligands.

  18. Mössbauer study of EUROFER and VVER steel reactor materials

    NASA Astrophysics Data System (ADS)

    Kuzmann, E.; Horváth, Á.; Alves, L.; Silva, J. F.; Gomes, U.; Souza, C.; Homonnay, Z.

    2013-04-01

    57Fe Mössbauer spectroscopy and X-ray diffractometry were used to study EUROFER or VVER ferritic reactor steels mechanically alloyed with TaC or NbC. Significant changes were found in the Mössbauer spectra and in the corresponding hyperfine field distributions between the ball milled pure steel and that alloyed with TaC or NbC. Spectral differences were also found in the case of use of same carbides with different origin, too. The observed spectral changes as an effect of ball milling of the reactor material steels with carbides can be associated with change in short range order of the constituents of steel.

  19. Mössbauer study of iron uptake in cucumber root

    NASA Astrophysics Data System (ADS)

    Kovács, K.; Kuzmann, E.; Fodor, F.; Vértes, A.; Kamnev, A. A.

    2005-09-01

    57Fe Mössbauer spectroscopy was used to study the uptake and distribution of iron in the root of cucumber plants grown in iron-deficient modified Hoagland nutrient solution and put into iron-containing solution with 10 μM Fe citrate enriched with 57Fe (90%) only before harvesting. The Mössbauer spectra of the frozen roots exhibited two Fe3+ components with typical average Mössbauer parameters of δ = 0.5 mm s-1, Δ = 0.46 mm s-1 and δ = 0.5 mm s-1, Δ = 1.2 mm s-1 at 78 K and the presence of an Fe2+ doublet, assigned to the ferrous hexaaqua complex. This finding gives a direct evidence for the existence of Fe2+ ions produced via root-associated reduction according to the mechanism proposed for iron uptake for dicotyledonous plants. Monotonous changes in the relative content of the components were found with the time period of iron supply. The Mössbauer results are interpreted in terms of iron uptake and transport through the cell wall and membranes.

  20. Low Temperature Study of Mechanically Alloyed EuFeO3

    NASA Astrophysics Data System (ADS)

    Khatiwada, Suman; Seifu, Dereje

    2008-03-01

    Rare-earth (R) and transition metal (T) perovskite Oxides RTO3 are of great interest in Physics, besides potential applications in variety of devices. Here, we present study of EuFeO3 synthesized by mechanical alloying. The Mössbauer measurement on EuFeO3 is one of the rare cases where both the R and the T sites are probed in the same compound. Room temperature Mössbauer study is already reported [1], here we report low temperature Mössbauer measurements. Measurements indicate that hyperfine magnetic field increased with decreasing temperature. The ^57Fe Mössbauer spectra depicts that there is only a magnetic sextet at 20K implying pure ferromagnetic state. As temperature increased two non-magnetic states appeared and their propensity increased with temperature. The ^151Eu Mössbauer measurements show that the line width at half maxima has a peak between 50K and 100K. [1] Seifu, D., Takacs, L., Kebede, A., ``^151Eu and ^57Fe Mössbauer study of mechanically alloyed EuFeO3.'' J. of Mag. and Mag. Matt., 302, pp 479 -- 483, 2006.

  1. Mossbauer Studies of Some Iron

    NASA Astrophysics Data System (ADS)

    Boyd, Darwin Lee

    ^{57}Fe Mossbauer spectroscopy was used to investigate several iron(III) spin crossover systems as well as a cold cholesteric liquid crystal. Tris thioseleno- and tris diselenocarbamates were found to be similar to their corresponding tris monothio and tris dithio complexes, showing increasing magnetic moment with increasing isomer shift and decreasing magnetic moment with increasing quadrupole splitting. These observations indicate that the tris thioseleno- and tris diselenocarbamates are, like their dithio analogs, spin crossover systems. Several mixed ligand thioseleno complexes were also studied and found to be similar to the corresponding dithio complexes. A possible trihydrate of Fe(S_2CN(CH _2CH_2OH) _2)_3 was investigated. Repeated attempts to reproduce a recently published four line Mossbauer spectrum for the trihydrate failed. It was concluded that the published methods actually result in the anhydrous complex. Heating of this complex in accordance with the published methods to produce the anhydrous complex resulted in decomposition. Anhydrous preparations of Fe(S_2CN(CH _2CH_2OH) _2)_3 when recrystallized from methanol without heating produced four line Mossbauer spectra at low temperatures. The temperature dependencies of the isomer shift, quadrupole splitting, and peak area indicate that, in this case, the interconversion rate between the two spin states has slowed to below the inverse of the Mossbauer time scale. This slowing is believed to be caused by partial solvation by small, nonstoichiometric, quantities of methanol. Cholesterol-2-(2-ethoxy ethoxy) ethyl carbonate was investigated via Mossbauer spectroscopy by dissolving into it 0.16wt% ^{57 }Fe enriched 1,1^' -diacetylferrocene. A glass transition temperature of 177 K and a Mossbauer Debye temperature of 32.7 K were measured. An increase in the average half width of the resonance lines above the glass transition temperature indicates the onset of diffusion in the supercooled liquid. A lack of

  2. Setting temperature effect in polycrystalline exchange-biased IrMn/CoFe bilayers

    SciTech Connect

    Fernandez-Outon, L. E.; Araujo Filho, M. S.; Araujo, R. E.; Ardisson, J. D.; Macedo, W. A. A.

    2013-05-07

    We study the effect of atomic interdiffusion on the exchange bias of polycrystalline IrMn/({sup 57}Fe + CoFe) multilayers due to the thermal setting process of exchange coupling during field annealing. Depth-resolved {sup 57}Fe conversion electron Moessbauer spectroscopy was used to quantify atomic interdiffusion. Vibrating sample magnetometry was used to monitor the variation of exchange bias and magnetisation. It was found that interface sharpness is only affected above {approx}350 Degree-Sign C. Three different stages for the setting of exchange bias can be inferred from our results. At the lower setting temperatures (up to 350 Degree-Sign C), the effect of field annealing involves alignment of spins and interfacial coupling due to the setting of both antiferromagnetic (AF) bulk and interface without significant interdiffusion. At a second stage (350-450 Degree-Sign C), where AF ordering dominates over diffusion effects, atomic migration and increased setting of AF spins co-exist to produce a peak in exchange bias field and coercivity. On a third stage (>450 Degree-Sign C), severe chemical intermixing reduces significantly the F/AF coupling.

  3. Bricks in historical buildings of Toledo City: characterisation and restoration

    SciTech Connect

    Lopez-Arce, Paula; Garcia-Guinea, Javier; Gracia, Mercedes; Obis, Joaquin

    2003-01-15

    Two different types of ancient bricks (12th to 14th centuries) collected from historical buildings of Toledo (Spain) were characterised by optical microscopy, scanning electron microscopy/energy-dispersive X-ray spectrometers (SEM/EDS), electron probe microanalysis (EM), X-ray diffraction (XRD), differential thermal analysis (DTA) and {sup 57}Fe-Moessbauer spectroscopy. Physical properties such as water absorption and suction, porosity, density and compression strength were also determined. Several minerals found in the brick matrix, such as garnet, let us infer raw material sources; calcite, dolomite, illite and neoformed gehlenite and diopside phases, on temperature reached in firing; secondary calcite, on first cooling scenarios; and manganese micronodules, on late pollution environments. XRD and DTA of original and refired samples supply information about firing temperatures. Additional data on firing conditions and type of the original clay are provided by the Moessbauer study. Physical properties of both types of bricks were compared and correlated with raw materials and fabric and firing technology employed. The physicochemical characterisation of these bricks provides valuable data for restoration purposes to formulate new specific bricks using neighbouring raw materials.

  4. Magnetic dilution of the iron sublattice in CoFe{sub 2-x}Sc{sub x}O{sub 4} (0{<=}x{<=}1)

    SciTech Connect

    Lefevre, C.; Roulland, F.; Viart, N.; Greneche, J.M.; Pourroy, G.

    2010-11-15

    Substitution of Fe for Sc in CoFe{sub 2}O{sub 4} spinel structure is presented. All CoFe{sub 2-x}Sc{sub x}O{sub 4} compounds crystallize in the spinel type structure (space group Fd3-bar m). By using X-ray diffraction studies, magnetic measurements and in-field {sup 57}Fe Moessbauer spectrometry, the limit of substitution has been determined to be equal to x=0.56. An increase in the cell parameter and the strains and a decrease in the apparent crystallites size are observed. For x>0.3, a partial oxidation of cobalt is evidenced and Co{sup 3+} is stabilized in the structure. A ferromagnetic behavior has been observed for all investigated compounds. As x increases, the Curie temperature and the hyperfine fields decrease. Following the Stephenson model, the diminution of T{sub C} is ascribed to a decrease of the main J{sub AB} interaction. -- Graphical abstract: Evolution of the cell parameters, the magnetic properties and the Moessbauer spectra in CoFe{sub 2-r}Sc{sub r}O{sub 4} (0{<=}r{<=}1). Display Omitted

  5. Resonant nuclear scattering of synchrotron radiation: Detector development and specular scattering from a thin layer of {sup 57}Fe

    SciTech Connect

    Baron, A.Q.R.

    1995-04-01

    This thesis explores resonant nudear scattering of synchrotron radiation. An introductory chapter describes some useful concepts, such as speedup and coherent enhancement, in the context of some basic physical principles. Methods of producing highly monochromatic synchrotron beams usmg either electronic or nuclear scattering are also discussed. The body of the thesis concentrates on detector development and specular scattering from iynthetic layered materials. A detector employing n-dcrochannel plate electron multipliers is shown to have good ({approximately}50%) effidency for detecting 14.4 key x-rays incident at small ({approximately}0.5 degree) grazing angles onto Au or CsI photocathodes. However, being complicated to use, it was replaced with a large area (>=lan2) avalanche photodiode (APD) detector. The APD`s are simpler to use and have comparable (30--70%) efficiencies at 14.4 key, subnanosecond time resolution, large dynan-dc range (usable at rates up to {approximately}10{sup 8} photons/second) and low (<{approximately}0.01 cts/sec) background rates. Maxwell`s equations are used to derive the specular x-ray reflectivity of layered materials with resonant transitions and complex polarization dependencies. The effects of interfadal roughness are treated with some care, and the distorted wave Born approximation (DWBA) used to describe electronic scattering is generalized to the nuclear case. The implications of the theory are discussed in the context of grazing incidence measurements with emphasis on the kinematic and dynamical aspects of the scattering.

  6. Cation distribution in Ni–Cu–Zn nanoferrites from {sup 57}Fe in-field Mössbauer spectra

    SciTech Connect

    Prameela, P.; Kumar, A. Mahesh; Choudary, G.S.V.R.K.; Rao, K.H.; Reddy, V.R.

    2014-11-15

    Highlights: • Occupancy of copper ions at about 20% towards tetrahedral sites. • Distribution is proposed on the basis of % of Fe ions at both A and B sites. • Distribution is checked by estimating the theoretical lattice constant values. - Abstract: The nanoparticles of Ni{sub 1−x}Cu{sub x}Zn{sub 0.35}Fe{sub 2}O{sub 4} were synthesized by sol–gel method using polyvinyl alcohol as a chelating agent. X-ray diffraction patterns of all the samples confirmed the single phase spinel structure. The site occupancy of copper in the nanosized nickel–zinc ferrite spinels was investigated with the help of in-field Mössbauer spectroscopy. Cation distribution for the whole series of compositions was proposed by considering the amounts of iron ions present at both tetrahedral and octahedral interstitial sites in the spinel lattice. Confirmation of the proposed distributions was done by estimating quantitatively the lattice parameters for these compositions and comparing their values with those of the experimentally observed ones.

  7. Moessbauer Mineralogy of Rock, Soil, and Dust at Gusev Crater, Mars: Spirit's Journey through Weakly Altered Olivine Basalt on the Plains and Pervasively Altered Basalt in the Columbia Hills

    NASA Technical Reports Server (NTRS)

    Morris, R. V.; Klingelhoefer, G.; Schroeder, C.; Rodionov, D. S.; Yen, A.; Ming, D. W.; deSouza, P. A., Jr.; Fleischer, I.; Wdowiak, T.; Gellert, R.; Bernhardt, B.; Evlanov, E. N.; Zubkov, B.; Foh, J.; Bonnes, U.; Kankeleit, E.; Guetlich, P.; Renz, F.; Squyres, S. W.; Arvidson, R. E.

    2006-01-01

    The Moessbauer spectrometer on Spirit measured the oxidation state of Fe, identified Fe-bearing phases, and measured relative abundances of Fe among those phases for surface materials on the plains and in the Columbia Hills of Gusev crater. Eight Fe-bearing phases were identified: olivine, pyroxene, ilmenite, magnetite, nanophase ferric oxide (npOx), hematite, goethite, and a Fe(3+)-sulfate. Adirondack basaltic rocks on the plains are nearly unaltered (Fe(3+)/Fe(sub T)<0.2) with Fe from olivine, pyroxene (Ol>Px), and minor npOx and magnetite. Columbia Hills basaltic rocks are nearly unaltered (Peace and Backstay), moderately altered (WoolyPatch, Wishstone, and Keystone), and pervasively altered (e.g., Clovis, Uchben, Watchtower, Keel, and Paros with Fe(3+)/Fe(sub T) approx.0.6-0.9). Fe from pyroxene is greater than Fe from olivine (Ol sometimes absent), and Fe(2+) from Ol+Px is 40-49% and 9-24% for moderately and pervasively altered materials, respectively. Ilmenite (Fe from Ilm approx.3-6%) is present in Backstay, Wishstone, Keystone, and related rocks along with magnetite (Fe from Mt approx. 10-15%). Remaining Fe is present as npOx, hematite, and goethite in variable proportions. Clovis has the highest goethite content (Fe from Gt=40%). Goethite (alpha-FeOOH) is mineralogical evidence for aqueous processes because it has structural hydroxide and is formed under aqueous conditions. Relatively unaltered basaltic soils (Fe(3+)/Fe(sub T) approx. 0.3) occur throughout Gusev crater (approx. 60-80% Fe from Ol+Px, approx. 10-30% from npOx, and approx. 10% from Mt). PasoRobles soil in the Columbia Hills has a unique occurrence of high concentrations of Fe(3+)-sulfate (approx. 65% of Fe). Magnetite is identified as a strongly magnetic phase in Martian soil and dust.

  8. Atomic-Scale Structure of the Tin DX Center and Other Related Defects in Aluminum Gallium Arsenide Semiconductors Using Moessbauer Spectroscopy.

    NASA Astrophysics Data System (ADS)

    Greco, Luigi Alessandro

    The DX center in III-V alloys has limited the use of these materials for electronic devices since the defect acts as an electron trap. To be able to control or eliminate the DX center, its atomic scale structure should be understood. Mossbauer spectroscopy has proven to be a valuable technique in probing the atomic-scale structure of certain atomic species. The dopant studied here is ^{119}Sn. The thermal diffusion of Sn in Al_ {rm x}Ga_{rm 1-x }As using different temperatures, times, sample geometries and As_4 overpressures in evacuated and sealed fused silica ampoules was studied by x-ray diffraction (XRD), secondary ion mass spectroscopy and electrochemical capacitance versus voltage measurements. The AlGaAs surfaces decomposed into various Sn, Si, Ga and As oxides when an As_4 overpressure was introduced during annealing. However, annealing under ambient As_4 and furnace cooling eliminated surface decomposition although the Sn diffusion depth was less than that for a 0.5 atm As_4 overpressure. SiO_{rm x} and Si_{rm x }N_{rm y} RF-sputtered thin film capping layers deposited on AlGaAs were studied by XRD and Auger electron spectroscopy. For the annealed SiO_{rm x} films the AlGaAs surface was preserved, independent of the cooling technique used. Mossbauer spectroscopy was conducted on ^{rm 119m} Sn-implanted Al_ {rm x } Ga_{rm 1-x} As (x = 0.22 and 0.25) used for the source experiments and ^{119}Sn-doped Al _{rm x}Ga _{rm 1-x}As (x = 0.15, N _{rm Sn} ~2 times 10 ^{18} cm^{ -3}) for the absorber experiment. The source samples were capped with 120 nm of SiO_ {rm x} to preserve the surface during the systematic study of annealing temperature versus site occupation and electrical activation via Mossbauer spectroscopy at 76 K and 4 K in the dark and in the light (to observe persistent photoconductivity (PPC) due to the DX center). For all of the annealing conditions used the x = 0.22 sample showed little evidence of PPC possibly due to compensating defects and

  9. Fe-57 Mössbauer Study of the Murrili Ordinary Chondrite

    NASA Astrophysics Data System (ADS)

    Cadogan, J. M.; Bland, P. A.; Benedix, G. K.; Towner, M. C.; Sansom, E. K.; Devillepoix, H.; Howie, R. M.; Paxman, J. P.; Cupak, M.; Cox, M. A.; Jansen-Sturgeon, T.; Stuart, D.; Strangway, D.

    2016-08-01

    The Murrili meteorite fell in Lake Eyre South, South Australia, after being imaged and located by the Desert Fireball Network. It displays an unusual heterogeneous weathering throughout the stone, here quantified using 57Fe Mössbauer spectroscopy.

  10. Overdoped to underdoped Y{sub 0.8}Ca{sub 0.2}Ba{sub 2}Cu{sub 3}O{sub x}: {sup 170}Yb{sup 3+} Moessbauer probe measurements of electronic states and local Cu(2) magnetic order

    SciTech Connect

    Hodges, J.A.; Bonville, P.; Forget, A.

    1999-11-01

    The authors have used paramagnetic {sup 170}Yb{sup 3+} Moessbauer probes to examine two related properties of Y{sub 0.8}Ca{sub 0.2}Ba{sub 2}Cu{sub 3}O{sub x} as a function of the doping level. First, by measuring the low temperature thermal dependence of 1/T{sub 1}{sup (el)} of the probes in overdoped samples, they obtain information concerning the density of states below {Tc}. Second, by measuring the internal (molecular) field appearing on the probes in underdoped samples, they examine the fluctuating short range correlated Cu(2) magnetic order which is progressively introduced a the doping level is reduced. This magnetic order microscopically cohabits with superconductivity.

  11. Mössbauer study of the effect of pH on Fe valence in iron-polygalacturonate as a medicine for human anaemia

    NASA Astrophysics Data System (ADS)

    Kuzmann, E.; Garg, V. K.; de Oliveira, A. C.; Klencsár, Z.; Szentmihályi, K.; Fodor, J.; May, Z.; Homonnay, Z.

    2015-02-01

    Iron-polygalacturonate complexes have been synthesized from polygalacturonic acid by applying a novel preparation method in order to develop medicine suitable for the effective iron supplementation of the human body in the case of anemia. Since the iron uptake depends on the oxidation state of iron, 57Fe Mössbauer spectroscopy was used to study the occurrence of different valence states in the iron-polygalacturonate complexes prepared under different circumstances. The Mössbauer-spectra indicated the presence of iron both in FeII and FeIII states in the investigated iron-polygalacturonate compounds, the occurrence of which varied with the preparation parameters. A correlation of the relative occurrence of iron valence states with the pH has been found. The relative occurrence of FeIII was found to increase with increasing pH. The knowledge of this correlation can help find optimum preparation conditions of iron-polygalacturonates to cure human anemia.

  12. Moessbauer spectroscopy of the SNC meteorite Zagami

    NASA Technical Reports Server (NTRS)

    Agerkvist, D. P.; Vistisen, L.

    1993-01-01

    We have performed Mossbauer spectroscopy on two different pieces of the meteorite Zagami belonging to the group of SNC meteorites. In one of the samples we found a substantial amount of olivine inter grown with one kind of pyroxene, and also another kind of pyroxene very similar to the pyroxene in the other sample we examined. Both samples showed less than 1 percent of Fe(3+) in the silicate phase. The group of SNC meteorites called shergottites, to which Zagami belongs, are achondrites whose texture, mineralogy and composition resembles those of terrestrial diabases. The results from the investigation are presented.

  13. Charge Transfer in FeOCl Intercalation Compounds and its Pressure Dependence: An X-ray Spectroscopic Study

    SciTech Connect

    I Jarrige; Y Cai; S Shieh; H Ishii; N Hiraoka; S Karna; W Li

    2011-12-31

    We present a study of charge transfer in Na-intercalated FeOCl and polyaniline-intercalated FeOCl using high-resolution x-ray absorption spectroscopy and resonant x-ray emission spectroscopy at the Fe-K edge. By comparing the experimental data with ab initio simulations, we are able to unambiguously distinguish the spectral changes which appear due to intercalation into those of electronic origin and those of structural origin. For both systems, we find that about 25% of the Fe sites are reduced to Fe{sup 2+} via charge transfer between FeOCl and the intercalate. This is about twice as large as the Fe{sup 2+} fraction reported in studies using Moessbauer spectroscopy. This discrepancy is ascribed to the fact that the charge transfer occurs on the same time scale as the Moessbauer effect itself. Our result suggests that every intercalated atom or molecule is involved in the charge-transfer process, thus making this process a prerequisite for intercalation. The Fe{sup 2+} fraction is found to increase with pressure for polyaniline-FeOCl, hinting at an enhancement of the conductivity in the FeOCl intercalation compounds under pressure.

  14. Charge transfer in FeOCl intercalation compounds and its pressure dependence: An x-ray spectroscopic study

    SciTech Connect

    Jarrige, I.; Cai, Y. Q.; Shieh, S. R.; Ishii, H.; Hiraoka, N.; Karna, S.; Li, W.-H.

    2010-10-15

    We present a study of charge transfer in Na-intercalated FeOCl and polyaniline-intercalated FeOCl using high-resolution x-ray absorption spectroscopy and resonant x-ray emission spectroscopy at the Fe K edge. By comparing the experimental data with ab initio simulations, we are able to unambiguously distinguish the spectral changes which appear due to intercalation into those of electronic origin and those of structural origin. For both systems, we find that about 25% of the Fe sites are reduced to Fe{sup 2+} via charge transfer between FeOCl and the intercalate. This is about twice as large as the Fe{sup 2+} fraction reported in studies using Moessbauer spectroscopy. This discrepancy is ascribed to the fact that the charge transfer occurs on the same time scale as the Moessbauer effect itself. Our result suggests that every intercalated atom or molecule is involved in the charge-transfer process, thus making this process a prerequisite for intercalation. The Fe{sup 2+} fraction is found to increase with pressure for polyaniline-FeOCl, hinting at an enhancement of the conductivity in the FeOCl intercalation compounds under pressure.

  15. Nuclear dynamical diffraction using synchrotron radiation

    SciTech Connect

    Brown, D.E.

    1993-05-01

    The scattering of synchrotron radiation by nuclei is extensively explored in this thesis. From the multipole electric field expansion resulting from time-dependent nonrelativistic perturbation theory, a dynamical scattering theory is constructed. This theory is shown, in the many particle limit, to be equivalent to the semi-classical approach where a quantum mechanical scattering amplitude is used in the Maxwell inhomogeneous wave equation. The Moessbauer specimen whose low-lying energy levels were probed is a ferromagnetic lattice of {sup 57}Fe embedded in a yttrium iron garnet (YIG) crystal matrix. The hyperfine fields in YIG thin films were studied at low and room temperature using time-resolved quantum beat spectroscopy. Nuclear hyperfine structure quantum beats were measured using a fast plastic scintillator coincidence photodetector and associated electronics having a time resolution of 2.5 nsec. The variation of the quantum beat patterns near the Bragg [0 0 2] diffraction peak gave a Lamb-Moessbauer factor of 8.2{plus_minus}0.4. Exploring characteristic dynamical features in the higher order YIG [0 0 10] reflection revealed that one of the YIG crystals had bifurcated into two different layers. The dynamics of nuclear superradiance was explored. This phenomenon includes the radiative speedup exhibited by a collective state of particles, and, in striking concurrence, resonance frequency shifts. A speedup of a factor of 4 in the total decay rate and a beat frequency shift of 1{1/2} natural resonance linewidths were observed. Nuclear resonance scattering was also found to be a useful way of performing angular interferometry experiments, and it was used to observe the phase shift of a rotated quantum state. On the whole, nuclear dynamical diffraction theory has superbly explained many of the fascinating features of resonant magnetic dipole radiation scattered by a lattice of nuclei.

  16. Magnetic measurements of the transuranium elements and charge state characterization of actinides in monazite. Progress report

    SciTech Connect

    Huray, P. G.

    1980-01-01

    A micromagnetic susceptometer for the purpose of measuring extremely small sample quantities (on the microgram level) was designed, constructed, and calibrated in previous years. (The 1979 progress report gives details of its operation.) This device has operated without significant downtime in this funding period, and much progress has been made in the magnetic characterization of elements beyond Am in the periodic table. This program has roughly doubled man's knowledge of magnetism in Cm, Bk, and Cf, and includes the only Es magnetic measurements to date. The incorporation of an automatic data collection system in this period has made analysis much more accurate, and has allowed quicker turnaround of compounds and metals for study. Results obtained for the compounds and metals studied this year are summarized. The lanthanide orthophosphates are being investigated as an alternate means of primary containment for high-level actinide wastes. Researchers at the Oak Ridge National Laboratory are involved in preparation of actinide-doped compounds for all of the lanthanide transition series (La through Lu) for a study of leaching characteristics and E.S.R. classification. To aid this study the charge state of /sup 237/Np or /sup 57/Fe has been identified, either in the as-prepared compounds or following radioactive decay of /sup 241/Am via the Moessbauer Effect. The final charge state will be an influential variable in the immobilization characteristics of the waste products stored in this synthetic monazite form. 10 figures, 1 table. (RWR)

  17. ⁵⁷Fe polarization-dependent synchrotron Mössbauer spectroscopy using a diamond phase plate and an iron borate nuclear Bragg monochromator.

    PubMed

    Mitsui, Takaya; Imai, Yasuhiko; Masuda, Ryo; Seto, Makoto; Mibu, Ko

    2015-03-01

    Energy-domain (57)Fe polarization-dependent synchrotron radiation Mössbauer spectroscopy was developed by using a diamond X-ray phase plate and an iron borate nuclear Bragg monochromator. The former controls the polarization of the incident synchrotron radiation X-rays and the latter filters the (57)Fe-Mössbauer radiation with a narrow bandwidth of ∼3.4 Γ0 (Γ0 ≃ 4.7 neV: natural linewidth of the (57)Fe nucleus) from the broadband synchrotron radiation. The developed nuclear diffraction optics allowed (57)Fe-Mössbauer studies to be performed with various polarization states, i.e. linear polarization, circular polarization and non-polarization. In this paper, the spectrometer system, beam characterization, performance-test experiments and a grazing-incidence Mössbauer measurement of an isotope-enriched ((57)Fe: 95%) iron thin film are described. PMID:25723944

  18. EPR Spectroscopic Studies of [FeFe]-Hydrogenase Maturation

    PubMed Central

    Suess, Daniel L. M.

    2015-01-01

    Proton reduction and H2 oxidation are key elementary reactions for solar fuel production. Hydrogenases interconvert H+ and H2 with remarkable efficiency and have therefore received much attention in this context. For [FeFe]-hydrogenases, catalysis occurs at a unique cofactor called the H-cluster. In this article, we discuss ways in which EPR spectroscopy has elucidated aspects of the bioassembly of the H-cluster, with a focus on four case studies: EPR spectroscopic identification of a radical en route to the CO and CN− ligands of the H-cluster, tracing 57Fe from the maturase HydG into the H-cluster, characterization of the auxiliary Fe–S cluster in HydG, and isotopic labeling of the CN− ligands of HydA for electronic structure studies of its Hox state. Advances in cell-free maturation protocols have enabled several of these mechanistic studies, and understanding H-cluster maturation may in turn provide insights leading to improvements in hydrogenase production for biotechnological applications. PMID:26508821

  19. In-beam Mössbauer spectroscopy of (57)Fe/(57)Mn in MgO and NaF at Heavy-Ion Medical Accelerator in Chiba.

    PubMed

    Kubo, M K; Kobayashi, Y; Yamada, Y; Mihara, M; Nagatomo, T; Sato, W; Miyazaki, J; Sato, S; Kitagawa, A

    2014-02-01

    Development of efficient ion supply of (58)Fe from (58)Fe(C5H5)2, and quick switching between therapy and material science at the Heavy-Ion Medical Accelerator in Chiba realized a new (57)Mn in-beam emission Mössbauer spectroscopy measurement system. Application to simple binary chemical compounds, MgO and NaF, proved the usefulness of the system to probe chemical and physical behaviors of trace impurities in solids. Annealing of lattice defects produced by the implantation and β-decay of (57)Mn and/or γ-ray emission recoil was observed by a local probe.

  20. Mössbauer spectra study on Xiu-Yan Jade

    NASA Astrophysics Data System (ADS)

    Qiu, Zhaoming; Rang, Mei; Huang, Junjie

    1992-04-01

    Having beautiful colours and fine features, Xiu-Yan Jade is famous in the world. Mineralogically, Xiu-Yan Jade is serpentine jade. XRD, IR and TEM study indicate that the jade consists mainly of antigorite (m{Mg3(1-1/m)[Si2O5](OH)1+3(1-2/m)}) with a minor amount of chrysotile. Two favourite samples (PXA, PX1-t) are chosen for research on57Fe Mössbauer spectra. Two sets of quadrupole doublets are obtained from the spectra, The parameters of two samples, 1. 124 mm/s and 1. 119 mm/s of I. S. and 2. 732mm/s and 2. 716mm/s of Q. S. for Fe2+ in the octahedral and 0. 364mm/s and 0. 351mm/s of I. S. 0. 632 and 0. 546mm/s of Q. S. for Fe3+ in the octahedral, are only antigorite. Studies indicate that: (1) iron—ion in antigorite enters the lattice as impurity: (2)Fe2+ and Fe3+ substitute for Mg in the coordination octahedron: and (3) the colour of jade is related to content of Fe, and Fe3+/Fe2+≤1 is favourite for colour—forming.

  1. Magnetic Phase-Transition Studies of Novel Hexagonal Ferrites

    NASA Astrophysics Data System (ADS)

    Holden, Marjorie Letitia; Ravi, Natarajan

    2002-03-01

    Ferrites, a unique class of compounds, have been widely used in a variety of technological applications due to interesting electrical and magnetic properties. A study of the magnetic properties of spinel ferrites with general formula AB_2O4 and perovskites with general formula ABO3 (where A and B represent different cations) has been initiated in our laboratory. The orthorhombic space group and the unit cell dimensions for CaFe_2O4 as determined by the X-ray diffraction data indicate the purity of the compound. In addition, room temperature ^57Fe Mössbauer spectroscopic measurements show a quadrupole doublet in agreement with the literature. A phase transition study of the hexagonal antiferromagnetic compounds such as CaBaFe_(1-x)4Al_xO8 is planned. Preparation, characterization by X-ray, and Mössbauer spectroscopy of these hexagonal ferrites are currently underway. For the Al^3+ substituted systems, distribution of internal magnetic field at the nucleus is modeled by using a binomial distribution. The preparation procedure (both ceramic and wet methods), detailed analysis of the spectroscopic data, and modeling aspects will be presented.

  2. Insights into iron sources and pathways in the Amazon River provided by isotopic and spectroscopic studies

    NASA Astrophysics Data System (ADS)

    Mulholland, Daniel Santos; Poitrasson, Franck; Boaventura, Geraldo Resende; Allard, Thierry; Vieira, Lucieth Cruz; Santos, Roberto Ventura; Mancini, Luiz; Seyler, Patrick

    2015-02-01

    The present study investigated the weathering and transport mechanisms of Fe in the Amazon River. A particular emphasis was placed on Fe partitioning, speciation, and isotopic fractionation in the contrasting waters of the Solimões and Negro rivers and their mixing zone at the beginning of the Amazon River. Samples collected in the end-member rivers and thirteen sites distributed throughout the mixing zone were processed through frontal vacuum filtration and tangential-flow ultrafiltration to separate the different suspended solid fractions, i.e., particulate (P > 0.45 μm and P > 0.22 μm), colloidal (0.22 μm > C > 5 kDa) and truly dissolved elements (TD < 5 kDa). The Fe isotopic composition and electron paramagnetic resonance (EPR) species were measured on these different pore-sized fractions. The acidic and organo-Fe-rich waters of the Negro River displayed dissolved and colloidal fractions enriched in heavy isotopes (∼1.2‰, in δ57Fe values relative to IRMM-14), while the particulate fractions yielded light isotopic compositions of -0.344‰ for P > 0.22 μm and -0.104‰ for P > 0.45 μm fractions). The mineral particulate-rich waters of the Solimões River had dissolved and colloidal fractions with light isotopic composition (-0.532‰ and -0.176‰, respectively), whereas the particulate fractions yielded δ57Fe values close to those of the continental crust (i.e., -0.029‰ for P > 0.22 μm and 0.028‰ for P > 0.45 μm). Ten kilometers downstream from the Negro and Solimões junction, the concentrations of colloidal and dissolved Fe species deviate markedly from conservative mixing. A maximum Fe loss of 43 μg/L (i.e., 50% of the dissolved and colloidal Fe) is observed 110 km downstream from the rivers junction. The contrasting Negro and Solimões Rivers isotopic compositions along the pore-sized water fractions is attributable to the biogeochemical processes involving different types of upland soils and parental materials. For instance, the isotopic

  3. Techniques for inelastic x-ray scattering with {mu}eV resolution.

    SciTech Connect

    Rohlsberger, R.

    1998-10-23

    We introduce a novel type of spectrometer that provides a {micro}eV bandpass together with a tunability over a few meV. The technique relies on nuclear resonant scattering (Moessbauer effect) of synchrotrons radiation at the 14.4-keV resonance of {sup 57}Fe. Energy tuning is achieved by the Doppler effect in high speed rotary motion. The resonantly scattered monochromatic radiation is extracted by a polarization filtering technique or by spatial separation due to the ''nuclear lighthouse effect''.

  4. Novel rhenium gasket design for nuclear resonant inelastic x-ray scattering at high pressure

    SciTech Connect

    Tanis, Elizabeth A.; Giefers, Hubertus; Nicol, Malcolm F.

    2008-02-15

    For the first time, a highly absorbing element, rhenium, has been proven to be a strong, reliable, and safe gasket material for achieving high pressure in nuclear resonant inelastic x-ray scattering (NRIXS) experiments. Rhenium foil was cut into rectangular slices and in order to reduce absorption, the elevated imprint due to preindenting of the gasket is removed using electrical discharge machining. By utilizing this novel gasket design, transmission losses were mitigated while performing NRIXS experiments conducted on the {sup 119}Sn and {sup 57}Fe Moessbauer isotopes.

  5. Study of the surface chemistry and morphology of single walled carbon nanotube-magnetite composites

    SciTech Connect

    Marquez-Linares, F.; Uwakweh, O.N.C.; Lopez, N.; Chavez, E.; Polanco, R.; Morant, C.; Sanz, J.M.; Elizalde, E.; Neira, C.; Nieto, S.; Roque-Malherbe, R.

    2011-03-15

    The study of the morphologies of the single walled carbon nanotube (SWCNT), magnetite nanoparticles (MNP), and the composite based on them was carried with combined X-ray diffraction (XRD), Raman spectroscopy (RS), scanning electron microscopy (SEM), field emission scanning electron microscopy (FESEM) and high resolution transmission electron microscopy (HRTEM). These techniques together with thermogravimetric analyses (TGA) and diffuse reflectance infrared transform spectroscopy (DRIFTS) confirmed the production of pure single phases, and that the composite material consisted of MNP attached to the outer surface of the SWCNT. The Moessbauer spectroscopy (MS) research showed the presence of a large quantity of Lewis acid sites in the highly dispersed magnetite particles supported on the SWCNT outer surface. The DRIFTS carbon dioxide adsorption study of the composites revealed significant adsorption of carbon dioxide, fundamentally in the Lewis acid sites. Then, the Lewis acid sites were observed to be catalytically active. Further, the electron exchange between the Lewis acid sites and the basic or amphoteric adsorbed molecules could influence the magnetic properties of the magnetite. Consequently, together with this first ever use of MS in the study of Lewis acid sites, this investigation revealed the potential of the composites for catalytic and sensors applications. -- Graphical abstract: A large amount of Lewis acid sites were found in the highly dispersed magnetite which is supported on the SWCNT outer surface. Display Omitted Research highlights: {yields} The obtained materials were completely characterized with XRD, Raman and SEM-TEM. {yields} DRIFT, TGA and adsorption of the composites allowed understand the material formation. {yields} This is the first report of a study of Lewis sites by Moessbauer spectroscopy.

  6. Recent advances in biosynthetic modeling of nitric oxide reductases and insights gained from nuclear resonance vibrational and other spectroscopic studies.

    PubMed

    Chakraborty, Saumen; Reed, Julian; Sage, J Timothy; Branagan, Nicole C; Petrik, Igor D; Miner, Kyle D; Hu, Michael Y; Zhao, Jiyong; Alp, E Ercan; Lu, Yi

    2015-10-01

    This Forum Article focuses on recent advances in structural and spectroscopic studies of biosynthetic models of nitric oxide reductases (NORs). NORs are complex metalloenzymes found in the denitrification pathway of Earth's nitrogen cycle where they catalyze the proton-dependent two-electron reduction of nitric oxide (NO) to nitrous oxide (N2O). While much progress has been made in biochemical and biophysical studies of native NORs and their variants, a clear mechanistic understanding of this important metalloenzyme related to its function is still elusive. We report herein UV-vis and nuclear resonance vibrational spectroscopy (NRVS) studies of mononitrosylated intermediates of the NOR reaction of a biosynthetic model. The ability to selectively substitute metals at either heme or nonheme metal sites allows the introduction of independent (57)Fe probe atoms at either site, as well as allowing the preparation of analogues of stable reaction intermediates by replacing either metal with a redox inactive metal. Together with previous structural and spectroscopic results, we summarize insights gained from studying these biosynthetic models toward understanding structural features responsible for the NOR activity and its mechanism. The outlook on NOR modeling is also discussed, with an emphasis on the design of models capable of catalytic turnovers designed based on close mimics of the secondary coordination sphere of native NORs.

  7. Recent Advances in Biosynthetic Modeling of Nitric Oxide Reductases and Insights Gained from Nuclear Resonance Vibrational and Other Spectroscopic Studies

    PubMed Central

    2015-01-01

    This Forum Article focuses on recent advances in structural and spectroscopic studies of biosynthetic models of nitric oxide reductases (NORs). NORs are complex metalloenzymes found in the denitrification pathway of Earth’s nitrogen cycle where they catalyze the proton-dependent two-electron reduction of nitric oxide (NO) to nitrous oxide (N2O). While much progress has been made in biochemical and biophysical studies of native NORs and their variants, a clear mechanistic understanding of this important metalloenzyme related to its function is still elusive. We report herein UV–vis and nuclear resonance vibrational spectroscopy (NRVS) studies of mononitrosylated intermediates of the NOR reaction of a biosynthetic model. The ability to selectively substitute metals at either heme or nonheme metal sites allows the introduction of independent 57Fe probe atoms at either site, as well as allowing the preparation of analogues of stable reaction intermediates by replacing either metal with a redox inactive metal. Together with previous structural and spectroscopic results, we summarize insights gained from studying these biosynthetic models toward understanding structural features responsible for the NOR activity and its mechanism. The outlook on NOR modeling is also discussed, with an emphasis on the design of models capable of catalytic turnovers designed based on close mimics of the secondary coordination sphere of native NORs. PMID:26274098

  8. MSATT Workshop on Innovative Instrumentation for the In Situ Study of Atmosphere-Surface Interactions on Mars

    NASA Technical Reports Server (NTRS)

    Fegley, Bruce, Jr. (Editor); Waenke, Heinrich (Editor)

    1992-01-01

    Papers accepted for the Mars Surface and Atmosphere Through Time (MSATT) Workshop on Innovative Instruments for the In Situ Study of Atmosphere-Surface Interaction of Mars, 8-9 Oct. 1992 in Mainz, Germany are included. Topics covered include: a backscatter Moessbauer spectrometer (BaMS) for use on Mars; database of proposed payloads and instruments for SEI missions; determination of martian soil mineralogy and water content using the Thermal Analyzer for Planetary Soils (TAPS); in situ identification of the martian surface material and its interaction with the martian atmosphere using DTA/GC; mass spectrometer-pyrolysis experiment for atmospheric and soil sample analysis on the surface of Mars; and optical luminescence spectroscopy as a probe of the surface mineralogy of Mars.

  9. Effect of He+ irradiation on Fe-Cr alloys: Mössbauer-effect study

    NASA Astrophysics Data System (ADS)

    Dubiel, S. M.; Cieślak, J.; Reuther, H.

    2013-03-01

    Effect of He ions irradiation on three model Fe100-xCrx alloys (x = 5.8, 10.75 and 15.15) was investigated with the conversion electron Mössbauer spectroscopy. The study of the alloys irradiated with 25 keV ions revealed that the strongest effect occured in the Fe84.85Cr15.15 sample where an inversion of a short-range-order (SRO) parameter was found. Consequently, the investigation of the influence of the irradiation dose, D, was carried out on the chromium - most concentrated sample showing that the average hyperfine field, , the average angle between the normal to the sample's surface and the magnetization vector, <θ>, as well as the actual distribution of Fe/Cr atoms, as expressed by SRO parameters, strongly depend on D. In particular: (a) increases with D, and its maximum increase corresponds to a decrease of Cr content within the two-shell volume around the probe 57Fe nuclei by ˜2.3 at%, <⊝> decreases by ˜13° at maximum, (c) SRO-parameter averaged over the two-shell volume increases with D from weakly negative value (indicative of Cr atoms ordering) to weakly positive value (indicative of Cr atoms clustering). The inversion takes place at D ≈ 7 dpa.

  10. New iron tetrazolate frameworks: synthesis, temperature effect, thermal behaviour, Mössbauer and magnetic studies.

    PubMed

    Pimenta, Vanessa; Le, Quang Hoang Hanh; Clark, Lucy; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Dujardin, Gilles; Lightfoot, Philip; Maisonneuve, Vincent

    2015-05-01

    The exploration of the FeF3/FeF2-Hamtetraz-HF system in dimethylformamide by solvothermal synthesis evidences two isostructural 3D hybrid fluoroferrates. They are prepared from the same starting mixture at two different synthesis temperatures: 120 °C for [Hdma]·(Fe4(II)Fe(III)F8(H2O)2(amtetraz)4) () and 140 °C for [Hdma]1.5·(Fe4.5(II)Fe0.5(III)F7(H2O)(HCOO)(amtetraz)4) (). Both compounds are characterized by single crystal X-ray diffraction, X-ray thermodiffraction, TGA analysis, Mössbauer spectrometry and SQUID magnetometry. They crystallize in the monoclinic system and are built from two distinct chains connected by aminotetrazolate anions. The first chain ∞(Fe(II)FN4) is common to and and can be found in numerous fluorides. In the second chain ∞(Fe3X12) (X = F, N, O), iron cations adopt both valence states Fe(ii)/Fe(iii). The hydrolysis of DMF implies the formation of a [Hdma](+) cation and a (HCOO)(-) anion. The presence of Fe(3+) in both phases is evidenced by (57)Fe Mössbauer spectrometry. The magnetic properties are studied and two transitions from a paramagnetic regime to a long range ordered state below 30 K and 5 K are identified.

  11. Mössbauer Study of Graphite-Containing Iron Oxide Nanoparticles

    NASA Astrophysics Data System (ADS)

    Sorescu, Monica; Trotta, Richard

    2016-03-01

    Graphite-doped hematite and magnetite nanoparticles systems (~50 nm) were prepared by mechanochemical activation for milling times ranging from 2 to 12 hours. Their structural and magnetic properties were studied by 57Fe Mössbauer spectroscopy. The spectra corresponding to the hematite milled samples were analyzed by considering two sextets, corresponding to the incorporation of carbon atoms into the iron oxide structure. For ball-milling time of 12 hours a quadrupole split doublet has been added, representing the contribution of ultrafine particles. The Mössbauer spectra of graphite-doped magnetite were resolved considering a sextet and a magnetic hyperfine field distribution, corresponding to the tetrahedral and octahedral sublattices of magnetite, respectively. A quadrupole split doublet was incorporated in the fitting of the 12-hour milled sample. The recoilless fraction for all samples was determined using our previously developed dual absorber method. It was found that the recoilless fraction of the graphite-doped hematite nanoparticles decreases as function of ball-milling time. The f factor of graphite-containing magnetite nanoparticles for the tetrahedral sites stays constant, while that of the octahedral sublattice decreases as function of ball-milling time. These findings reinforce the idea that carbon atoms exhibit preference for the octahedral sites of magnetite.

  12. Iron absorption in raw and cooked bananas: a field study using stable isotopes in women

    PubMed Central

    García, Olga P.; Martínez, Mara; Romano, Diana; Camacho, Mariela; de Moura, Fabiana F.; Abrams, Steve A.; Khanna, Harjeet K.; Dale, James L.; Rosado, Jorge L.

    2015-01-01

    Background Banana is a staple food in many regions with high iron deficiency and may be a potential vehicle for iron fortification. However, iron absorption from bananas is not known. Objective The objective of this study was to evaluate total iron absorption from raw and cooked bananas. Design Thirty women (34.9±6.6 years) from rural Mexico were randomly assigned to one of two groups each consuming: 1) 480 g/day of raw banana for 6 days, or 2) 500 g/day of cooked banana for 4 days. Iron absorption was measured after extrinsically labeling with 2 mg of 58Fe and a reference dose of 6 mg 57Fe; analysis was done using ICP-MS. Results Iron content in cooked bananas was significantly higher than raw bananas (0.53 mg/100 g bananas vs. 0.33 mg/100 mg bananas, respectively) (p<0.001). Percent iron absorption was significantly higher in raw bananas (49.3±21.3%) compared with cooked banana (33.9±16.2%) (p=0.035). Total amount of iron absorbed from raw and cooked bananas was similar (0.77±0.33 mg vs. 0.86±0.41 mg, respectively). Conclusion Total amount of absorbed iron is similar between cooked and raw bananas. The banana matrix does not affect iron absorption and is therefore a potential effective target for genetic modification for iron biofortification. PMID:25660254

  13. Early Pottery Making in Northern Coastal Peru. Part I: Mössbauer Study of Clays

    NASA Astrophysics Data System (ADS)

    Shimada, I.; Häusler, W.; Hutzelmann, T.; Wagner, U.

    2003-09-01

    We report on an investigation of several ancient clays which were used for pottery making in northern coastal Peru at a kiln site from the Formative period (ca. 2000-800 BC) in the Poma Canal and at a Middle Sicán pottery workshop in use between ca. AD 950 and 1050 at Huaca Sialupe in the lower La Leche valley. Neutron activation analysis, 57Fe Mössbauer spectroscopy and X-ray diffraction were used for the characterisation of the clays. The changes that occur in iron-bearing compounds in the clays depending on the kiln atmosphere and on the maximum firing temperature were studied by Mössbauer spectroscopy and X-ray diffraction. Laboratory firing series under varying controlled conditions were performed to obtain a basic understanding of the different reactions taking place in the clays during firing. The results can be used as models in the interpretation of the Mössbauer spectra observed in ancient ceramics from the same context.

  14. Fe and Cu isotope fractionation between chalcopyrite and dissolved metal species during hydrothermal recrystallization: An experimental study at 350°C and 500 bars

    NASA Astrophysics Data System (ADS)

    Syverson, D. D.; Luhmann, A. J.; Tan, C.; Borrok, D. M.; Ding, K.; Seyfried, W. E., Jr.

    2015-12-01

    The equilibrium Fe and Cu isotope fractionation factor between chalcopyrite and dissolved metal species was determined under hydrothermal conditions at 350°C and 500 bars. The experiments took advantage of gold-cell reaction technology, allowing time-series sampling of solution during the hydrothermal recrystallization of chalcopyrite over 3000 hours. One of the recrystallization experiments utilized an anomalous 57Fe spike in solution to quantify the degree and rate of isotopic exchange towards equilibrium between mineral and fluid reservoirs. The time-series 57Fe spike data suggests that chalcopyrite exchanges rapidly with dissolved Fe and Cu in solution and the isotopic fractionation between each metal-bearing reservoir throughout reaction progress, upon dissolution and recrystallization, represents close to equilibrium conditions. The isotope data indicate that the equilibrium fractionation between chalcopyrite and dissolved Fe and Cu at 350°C, Δ56FeCpy-Fe(aq), is 0.129±0.171‰ and Δ65CuCpy-Fe(aq), is -0.201±0.341‰ (2σ), and are in good agreement with recent theoretical equilibrium predictions. Comparison of the experimental data from this study with conjugate chalcopyrite and dissolved Fe and Cu pairs from a variety of hydrothermal systems along the mid-ocean ridge system indicates that chalcopyrite precipitates and recrystallizes at isotopic equilibrium with the fluid during cooling upon ascent to the seafloor. The rapid exchange between the mineral and fluid metal-reservoirs suggests that chalcopyrite effectively records the isotopic composition of the coexisting hydrothermal fluid during the evolution of hydrothermal systems. In addition, the pyrite-chalcopyrite equilibrium Fe isotope fractionation, Δ56FePyr-Cpy, at 350°C is quantified by combination of pyrite-Fe2+(aq) equilibrium fractionation data from Syverson et al., [2013] with chalcopyrite-Fe2+(aq) from this study, resulting in a fractionation of 0.861±0.337‰ (2σ). The empirical

  15. H-bonding scheme and cation partitioning in axinite: a single-crystal neutron diffraction and Mössbauer spectroscopic study

    NASA Astrophysics Data System (ADS)

    Gatta, G. Diego; Redhammer, Günther J.; Guastoni, Alessandro; Guastella, Giorgio; Meven, Martin; Pavese, Alessandro

    2016-05-01

    The crystal chemistry of a ferroaxinite from Colebrook Hill, Rosebery district, Tasmania, Australia, was investigated by electron microprobe analysis in wavelength-dispersive mode, inductively coupled plasma-atomic emission spectroscopy (ICP-AES), 57Fe Mössbauer spectroscopy and single-crystal neutron diffraction at 293 K. The chemical formula obtained on the basis of the ICP-AES data is the following: ^{X1,X2} {{Ca}}_{4.03} Y ( {{{Mn}}_{0.42} {{Mg}}_{0.23} {{Fe}}^{2 + }_{1.39} } )_{Σ 2.04} ^{Z1,Z2} ( {{{Fe}}^{3 + }_{0.15} {{Al}}_{3.55} {{Ti}}_{0.12} } )_{Σ 3.82} ^{T1,T2,T3,T4} ( {{{Ti}}_{0.03} {{Si}}_{7.97} } )_{Σ 8} ^{T5} {{B}}_{1.96} {{O}}_{30} ( {{OH}} )_{2.18} . The 57Fe Mössbauer spectrum shows unambiguously the occurrence of Fe2+ and Fe3+ in octahedral coordination only, with Fe2+/Fe3+ = 9:1. The neutron structure refinement provides a structure model in general agreement with the previous experimental findings: the tetrahedral T1, T2, T3 and T4 sites are fully occupied by Si, whereas the T5 site is fully occupied by B, with no evidence of Si at the T5, or Al or Fe3+ at the T1- T5 sites. The structural and chemical data of this study suggest that the amount of B in ferroaxinite is that expected from the ideal stoichiometry: 2 a.p.f.u. (for 32 O). The atomic distribution among the X1, X2, Y, Z1 and Z2 sites obtained by neutron structure refinement is in good agreement with that based on the ICP-AES data. For the first time, an unambiguous localization of the H site is obtained, which forms a hydroxyl group with the oxygen atom at the O16 site as donor. The H-bonding scheme in axinite structure is now fully described: the O16- H distance (corrected for riding motion effect) is 0.991(1) Å and an asymmetric bifurcated bonding configuration occurs, with O5 and O13 as acceptors [i.e. with O16··· O5 = 3.096(1) Å, H··· O5 = 2.450(1) Å and O16- H··· O5 = 123.9(1)°; O16··· O13 = 2.777(1) Å, H··· O13 = 1.914(1) Å and O16- H··· O13 = 146

  16. Unusual 5f magnetism in the U2Fe3Ge ternary Laves phase: a single crystal study

    NASA Astrophysics Data System (ADS)

    Henriques, M. S.; Gorbunov, D. I.; Waerenborgh, J. C.; Havela, L.; Shick, A. B.; Diviš, M.; Andreev, A. V.; Gonçalves, A. P.

    2013-02-01

    Magnetic properties of the intermetallic compound U2Fe3Ge were studied on a single crystal. The compound crystallizes in the hexagonal Mg2Cu3Si structure, an ordered variant of the MgZn2 Laves structure (C14). U2Fe3Ge displays ferromagnetic order below the Curie temperature TC = 55 K and presents an exception to the Hill rule, as the nearest inter-uranium distances do not exceed 3.2 Å. Magnetic moments lie in the basal plane of the hexagonal lattice, with the spontaneous magnetic moment Ms = 1.0 μB/f.u. at T = 2 K. No anisotropy within the basal plane is detected. In contrast to typical U-based intermetallics, U2Fe3Ge exhibits very low magnetic anisotropy, whose field does not exceed 10 T. The dominance of U in the magnetism of U2Fe3Ge is suggested by the 57Fe Mössbauer spectroscopy study, which indicates very low or even zero Fe moments. Electronic structure calculations are in agreement with the observed easy-plane anisotropy but fail to explain the lack of an Fe contribution to the magnetism of U2Fe3Ge.

  17. Mössbauer and calorimetric studies of portland cement hydration in the presence of black gram pulse

    NASA Astrophysics Data System (ADS)

    Rai, Sarita; Kurian, Sajith; Dwivedi, V. N.; Das, S. S.; Singh, N. B.; Gajbhiye, N. S.

    2009-01-01

    Effect of different concentrations of naturally occurring admixture in the form of fine powder of black gram pulse (BGP) on the hydration of Portland cement was studied by isothermal calorimetry and 57Fe Mössbauer spectroscopy. The spectra were recorded for anhydrous cement and the hydration products at room temperature and 77 K. In the presence of BGP, the spectra showed superparamagnetic doublets at room temperature and the sextet at 77 K, due to the presence of fine particles of iron containing component. Mössbauer studies of hydration products confirmed the formation of nanosize hydration products containing Fe3 + . The isomer shift ( δ) and the quadrupole splitting (Δ E Q) values of C4AF in the cement confirmed iron in an octahedral and tetrahedral environment with +3 oxidation state. The high value of quadrupole splitting showed the high asymmetry of the electron environment around the iron atom. The overall mechanism of the hydration of cement in presence of BGP is discussed.

  18. Iron-rich Oxides at the Core-mantle Boundary

    NASA Astrophysics Data System (ADS)

    Wicks, J. K.; Jackson, J. M.; Sturhahn, W.; Bower, D. J.; Zhuravlev, K. K.; Prakapenka, V.

    2013-12-01

    Seismic observations near the base of the core-mantle boundary (CMB) have detected 5-20 km thick patches in which the seismic wave velocities are reduced by up to 30%. These ultra-low velocity zones (ULVZs) have been interpreted as aggregates of partially molten material (e.g. Williams and Garnero 1996, Hernlund and Jellinek, 2010) or as solid, iron-enriched residues (e.g. Knittle and Jeanloz, 1991; Mao et al., 2006; Wicks et al., 2010), typically based on proposed sources of velocity reduction. The stabilities of these structure types have been explored through dynamic models that have assembled a relationship between ULVZ stability and density (Hernlund and Tackley, 2007; Bower et al., 2010). Now, to constrain the chemistry and mineralogy of ULVZs, more information is needed on the relationship between density and sound velocity of candidate phases. We present the pressure-volume-temperature equation of state of (Mg0.06 57Fe0.94)O determined up to pressures of 120 GPa and temperatures of 2000 K. Volume was measured with X-ray diffraction at beamline 13-ID-D of the Advanced Photon Source (APS), where high pressures and temperatures are achieved in a diamond anvil cell with in-situ laser heating. Sample assemblies were prepared using dehydrated NaCl as an insulator and neon as a pressure transmitting medium. We present results with and without iron as a buffer and thermal pressure gauge. We have also determined the room temperature Debye velocity (VD) of (Mg0.06 57Fe0.94)O using nuclear resonant inelastic x-ray scattering and in-situ X-ray diffraction, up to 80 GPa at 3-ID-B of the APS. The effect of the electronic environment of the iron sites on the velocities was tracked in-situ using synchrotron Moessbauer spectroscopy. Using our measured equation of state, the seismically relevant compressional (VP) and shear (VS) wave velocities were calculated from the Debye velocities. We combine these studies with a simple mixing model to predict the properties of a solid

  19. Mössbauer studies of the peculiar magnetism in parent compounds of the iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Jasek, A. K.; Komędera, K.; Błachowski, A.; Ruebenbauer, K.; Żukrowski, J.; Bukowski, Z.; Karpinski, J.

    2015-02-01

    A review of the magnetism in the parent compounds of the iron-based superconductors is given based on the transmission Mössbauer spectroscopy of 57Fe and 151Eu. It was found that the 3d magnetism is of the itinerant character with varying admixture of the spin-polarized covalent bonds. For the '122' compounds, a longitudinal spin density wave (SDW) develops. In the case of the EuFe2As2, a divalent europium arranges in an anti-ferromagnetical order at a much lower temperature as compared with the onset of SDW. These two magnetic systems remain almost uncoupled one to another. For the non-stoichiometric Fe1+xTe parent of the '11' family, one has a transversal SDW and magnetic order of the interstitial iron with relatively high and localized magnetic moments. These two systems are strongly coupled one to another. For the 'grand parent' of the iron-based superconductors FeAs, one observes two mutually orthogonal phase-related transversal SDW on the iron sites. There are two sets of such spin arrangements due to two crystallographic iron sites. The FeAs exhibits the highest covalency among the compounds studied, but it has still a metallic character. A contribution to XVI National Conference on Superconductivity, Zakopane, Poland, 7-12 October 2013.

  20. Studies of iron impurities in YxPr1-xBa2Cu3O7-delta

    NASA Technical Reports Server (NTRS)

    Swartzendruber, L. J.; Bennett, L. H.; Ritter, J.; Rubinstein, M.; Harford, M. Z.

    1990-01-01

    Pr is the only rare earth which, when substituted for Y in YBa2Cu3O7, significantly alters the superconducting transition temperature T(sub c) without changing the crystal structure. For YxPr1-xBa2Cu3O7-delta with delta approx. equal to 0, T(sub c) is reduced rapidly as x is increased, reaching zero for x about 0.5. For x above 0.5 the compound is antiferromagnetic with a Neel temperature that increases with increasing x, rising to above room temperature for x near 1. A similar behavior is observed when the oxygen deficit delta is increased from zero to 1 with x=0. For the case of Pr substitution, the drop in T(sub c) is believed due to magnetic interactions. For the case of varying delta with x=0, the drop can be attributed to a combination of magnetic interactions, band filling, and changes in crystal structure. To study these effects, the Mossbauer effect of 57 Fe atoms substituted for the Cu atoms has been observed as a function of delta, x, and temperature. The observed spectra are all well described by a two quadrupole-split pairs, a central singlet, and a six-line magnetic hyperfine field pattern. For several Pr compositions both delta and temperature were varied, and the results support the hypothesis that a magnetic interaction exists between the Fe in the Cu lattice and the substitutional Pr atoms.

  1. Constraining the origins of the magnetism of lepidocrocite (γ-FeOOH): a Mössbauer and magnetisation study

    NASA Astrophysics Data System (ADS)

    Guyodo, Yohan; Bonville, Pierre; Till, Jessica; Ona-Nguema, Georges; Lagroix, France; Menguy, Nicolas

    2016-03-01

    Lepidocrocite, a widespread environmentally relevant iron oxyhydroxide, has been investigated for decades using 57Fe Mössbauer spectroscopy and magnetic measurements. However, a coherent and comprehensive interpretation of all the data is still lacking due to seemingly contradictory interpretations. On one hand, temperature dependence of magnetic susceptibility and Mössbauer spectra resemble those of superparamagnetic nanoparticles with diameters less than 10 nm even though physically particles are lath-shaped with lengths on the order of 100-300 nm. On the other hand, in-field Mössbauer spectra show that lepidocrocite is an antiferromagnet and becomes paramagnetic above 50-70 K, a temperature close to the blocking temperature deduced from susceptibility data. The present study investigates a well-characterized synthetic sample of lepidocrocite, includes modelling of Mössbauer spectra and dc and ac magnetization data, and proposes a solution to this paradox. The new data are coherent with the presence of two entities in lepidocrocite: a bulk antiferromagnetic matrix and sparse ferrimagnetic nanosized inclusions (d = 3.4 nm), akin to maghemite, embedded within. The presence of nanosized ferrimagnetic inclusions is confirmed for the first time by Mössbauer spectroscopy.

  2. Very high pressure Moessbauer spectroscopy using diamond anvil cells

    SciTech Connect

    Pasternak, M.P.; Taylor, R.D.

    1988-01-01

    The technique of generating very high pressure by means of Diamond Anvil Cells (DAC) for Mossbauer Effect applications is outlined. A comprehensive description is presented of the principles of DAC, modification for the use in M/umlt o/ssbauer Spectroscopy (MS), the Merrill--Bassett and Bassett cells, of pressure measurements, of gasketing and collimation, and of hydrostatic media. Examples of /sup 151/Eu, /sup 119/Sn and /sup 129/I are given showing the feasibility of DAC applications in MS. Other isotopes with potential use for high pressure MS using DAC are suggested. 27 refs., 9 figs.

  3. An overview of Moessbauer mineralogy at Gusev crater, Mars

    NASA Astrophysics Data System (ADS)

    Morris, R.; Klingelhoefer, G.; Schroeder, C.; Rodionov, D.; Yen, A.; Ming, D.

    The Mars Exploration Rover MER Spirit landed on the plains of Gusev Crater on 4 January 2004 1 The scientific objective of the M o ssbauer MB spectrometer on Spirit is to provide quantitative information about the distribution of Fe among its oxidation and coordination states identification of Fe-bearing phases and relative distribution of Fe among those phases The speciation and distribution of Fe in Martian rock and soil constrains the primary rock types redox conditions under which primary minerals crystallized the extent of alteration and weathering the type of alteration and weathering products and the processes and environmental conditions for alteration and weathering We discuss the Fe-bearing phases detected by Spirit s MB instrument during its first 540 sols of exploration 2 3 Spirit roved eastward across the plains from its landing site to the Columbia Hills during the first sim 150 sols Rocks are unweathered to weakly weathered olivine basalt with olivine pyroxene Ol Px magnetite Mt and minor hematite Hm and nanophase ferric oxide npOx as their primary Fe-bearing minerals Soils are generally similar basaltic materials except that the proportion of npOx is much higher up to sim 40 NpOx is an oct-Fe 3 alteration product whose concentration is highest in fine-grained soils and lowest in rock interiors exposed by grinding with the Rock Abrasion Tool RAT Spirit explored the lower slopes of the Columbia Hills West Spur during sols sim 150-320 West Spur rocks are highly altered even

  4. Moessbauer spectra of ferrite catalysts used in oxidative dehydrogenation

    NASA Technical Reports Server (NTRS)

    Cares, W. R.; Hightower, J. W.

    1971-01-01

    Room temperature Mossbauer spectroscopy was used to examine bulk changes which occur in low surface area CoFe2O4 and CuFe2O4 catalysts as a result of contact with various mixtures of trans-2-butene and O2 during oxidative dehydrogenation reactions at about 420 C. So long as there was at least some O2 in the gas phase, the CoFe2O4 spectrum was essentially unchanged. However, the spectrum changed from a random spinel in the oxidized state to an inverse spinel as it was reduced by oxide ion removal. The steady state catalyst lies very near the fully oxidized state. More dramatic solid state changes occurred as the CuFe2O4 underwent reduction. Under severe reduction, the ferrite was transformed into Cu and Fe3O4, but it could be reversibly recovered by oxidation. An intense doublet located near zero velocity persisted in all spectra of CuFe2O4 regardless of the state of reduction.

  5. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    SciTech Connect

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-08-10

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.

  6. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-08-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique `wagging' mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe-CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe-H moieties in other important natural and synthetic catalysts.

  7. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    PubMed Central

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-01-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging' mode involving H− motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H− binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts. PMID:26259066

  8. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    DOE PAGESBeta

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; et al

    2015-08-10

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate amore » low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.« less

  9. Ferric ion (hydr)oxo clusters in the "Venus flytrap" cleft of FbpA: Mössbauer, calorimetric and mass spectrometric studies.

    PubMed

    Mukherjee, Arindam; Bilton, Paul R; Mackay, Logan; Janoschka, Adam; Zhu, Haizhong; Rea, Dean; Langridge-Smith, Pat R R; Campopiano, Dominic J; Teschner, Thomas; Trautwein, Alfred X; Schünemann, Volker; Sadler, Peter J

    2012-04-01

    Isothermal calorimetric studies of the binding of iron(III) citrate to ferric ion binding protein from Neisseria gonorrhoeae suggested the complexation of a tetranuclear iron(III) cluster as a single step binding event (apparent binding constant K(app) (ITC) = 6.0(5) × 10(5) M(-1)). High-resolution Fourier transform ion cyclotron resonance mass spectrometric data supported the binding of a tetranuclear oxo(hydroxo) iron(III) cluster of formula [Fe(4)O(2)(OH)(4)(H(2)O)(cit)](+) in the interdomain binding cleft of FbpA. The mutant H9Y-nFbpA showed a twofold increase in the apparent binding constant [K(app) (ITC) = 1.1(7) × 10(6) M(-1)] for the tetranuclear iron(III) cluster compared to the wild-type protein. Mössbauer spectra of Escherichia coli cells overexpressing FbpA and cultured in the presence of added (57)Fe citrate were indicative of the presence of dinuclear and polynuclear clusters. FbpA therefore appears to have a strong affinity for iron clusters in iron-rich environments, a property which might endow the protein with new biological functions. PMID:22349975

  10. Magnetic properties of neodynium atoms in Nd-Fe multilayers studied by magnetic x-ray dichroism on Nd LII and Fe K edges

    NASA Astrophysics Data System (ADS)

    Baudelet, F.; Dartyge, E.; Fontaine, A.; Brouder, C.; Krill, G.; Kappler, J. P.; Piecuch, M.

    1991-03-01

    In this paper we present an experimental investigation of the magnetic properties of metallic multilayers (here Nd-Fe) by magnetic x-ray dichroism (MXD). The magnetic absorption cross sections have been measured, using a dispersive optics, on both the LII edge of Nd and the K edge of Fe in several Nd-Fe multilayers (Λ~=40-100 Å), for temperatures ranging from 77 to 300 K. We will show that the intensity of the magnetic absorption can be roughly correlated to the ordered magnetic moments present either on Nd or Fe, and thus the MXD allows direct information to be obtained on the local magnetic properties on a given atom. Moreover, by performing systematic studies as a function of the modulation length Λ, we discuss the efficiency of such experiments to yield direct information about the magnetic properties of the interfaces themselves. MXD experiments also give the sense of the coupling (ferromagnetic in the present case) between the magnetic moments of Nd and Fe in those systems. MXD results are compared to those given by bulk magnetization measurements and Mössbauer experiments on 57Fe.

  11. Study of radiation-induced processes in a layered Be-Fe-Be system subjected to ion irradiation and subsequent isochronous annealings

    NASA Astrophysics Data System (ADS)

    Ozernoy, A. N.; Vereshchak, M. F.; Manakova, I. A.; Kadyrzhanov, K. K.; Rusakov, V. S.

    2014-08-01

    The method of Mössbauer spectroscopy at 57Fe nuclei was used to study the structure and phase state of a three-layered Be-Fe-Be system after irradiation with helium and krypton ions and subsequent isochronous annealings. Before the irradiation, the samples represented a layered system (stable to a temperature of 650°C), the middle layer of which was predominantly an α-Fe(Be) solid solution and, in the near-surface layers, the intermetallic compound FeBe2 + δ was predominant on both sides. Upon the irradiation of the system, in the zone of the action of the beam of particles, a local enrichment of the material in beryllium atoms was observed irrespective of the type of ions used for irradiation, which led to the passage of an essential part of iron atoms in the near-surface layer from the magnetically ordered into the paramagnetic state. The extent of passage depended on the irradiation dose. The post-irradiation isochronous annealings almost completely restored the local concentration of components and structure of the irradiated near-surface layer that existed prior to the implantation. The data presented in this work can be used to prognosticate the effect of gaseous precipitates on the irradiation effects in the structural materials of atomic and thermonuclear plants.

  12. Magnetic ordering in semiconducting Tl0.53K0.47Fe1.64Se2 single crystals studied by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Stadnik, Zbigniew M.; Wang, Pu; Żukrowski, Jan; Wang, Hang-Dong; Dong, Chi-Heng; Fang, Ming-Hu

    2012-06-01

    The results of a 57Fe Mössbauer spectroscopy study between 4.5 and 523.2 K and in external magnetic fields (up to 90 kOe) of semiconducting Tl0.53K0.47Fe1.64Se2 single crystals are reported. Evidence is provided for a possible phase separation into the magnetic majority and minority phases. It is demonstrated that the magnetic moments of the divalent Fe atoms located at the 16i site (space group I4/m) of the majority phase and of the minority phase are antiferromagnetically ordered, with the Néel temperature TN = 518.0(3.6) K. The magnetic moments at 5.0 K of 2.09(1) and 2.28(2) μB in these two phases are tilted from the crystallographic c axis by 18(1)∘ and 32(2)∘, respectively. The Debye temperature of Tl0.53K0.47Fe1.64Se2 is found to be 228(4) K.

  13. Magnetic composites from minerals: study of the iron phases in clay and diatomite using Mössbauer spectroscopy, magnetic measurements and XRD

    NASA Astrophysics Data System (ADS)

    Cabrera, M.; Maciel, J. C.; Quispe-Marcatoma, J.; Pandey, B.; Neri, D. F. M.; Soria, F.; Baggio-Saitovitch, E.; de Carvalho, L. B.

    2014-01-01

    Magnetic particles as matrix for enzyme immobilization have been used and due to the enzymatic derivative can be easily removed from the reaction mixture by a magnetic field. This work presents a study about the synthesis and characterization of iron phases into magnetic montmorillonite clay (mMMT) and magnetic diatomaceous earth (mDE) by 57Fe Mössbauer spectroscopy (MS), magnetic measurements and X-ray diffraction (XRD). Also these magnetic materials were assessed as matrices for the immobilization of invertase via covalent binding. Mössbauer spectra of the magnetic composites performed at 4.2 K showed a mixture of magnetite and maghemite about equal proportion in the mMMT, and a pure magnetite phase in the sample mDE. These results were verified using XRD. The residual specific activity of the immobilized invertase on mMMT and mDE were 83 % and 92.5 %, respectively. Thus, both magnetic composites showed to be promising matrices for covalent immobilization of invertase.

  14. Comment on “Mössbauer studies of harmonically bound oscillators in Brownian motion: a quantum approach”

    NASA Astrophysics Data System (ADS)

    Tewari, S. P.; Silotia, Poonam

    1994-05-01

    It is argued that the recent claim of Kumar [Phys. Lett. A 154 (1991) 461], that assuming the protein specific modes in a deoxymyoglobin crystal to be described by a quantum mechanical overdamped oscillator can explain the sudden sharp decrease, above a characteristic temperature, of the Lamb-Mössbauer recoilles fraction of the 57Fe atom in the protein crystal, is not teenable.

  15. Structural, thermal, magnetic and electrical studies of the iron oxophosphate Rb{sub 7}Fe{sub 7}(PO{sub 4}){sub 8}O{sub 2}.2H{sub 2}O

    SciTech Connect

    Hidouri, Mourad; Lajmi, Besma; Gmati, Nadia; Wattiaux, Alain; Nenert, Gwilherm; Ritter, Clemens; Fournes, Leopold; Darriet, Jacques; Lopez, Maria Luisa; Pico, Carlos; Amara, Mongi B.

    2010-09-15

    A new iron oxophosphate of composition Rb{sub 7}Fe{sub 7}(PO{sub 4}){sub 8}O{sub 2}.2H{sub 2}O has been synthesized and studied by X-ray diffraction, TG and DTA analysis, magnetic susceptibility, neutron diffraction, Moessbauer spectroscopy and ionic conductivity. This compound crystallizes in the monoclinic system with the P2{sub 1}/c space group and the unit cell parameters a = 8.224(8) A, b = 22.162(6) A, c = 9.962(6) A and {beta} = 109.41(8){sup o}. Its structure is built up from Fe{sub 7}O{sub 32} clusters of edge- and corner-sharing FeO{sub 5} and FeO{sub 6} polyhedra. Neighboring clusters are connected by the phosphate tetrahedra to form a three-dimensional framework. The Rb{sup +} cations and the water molecules are occupying intersecting tunnels parallel to a and c. The presence of water molecules was confirmed by TG and DTA analysis. The magnetic susceptibility measurements have shown the existence of antiferromagnetic ordering below 22 K with a weak ferromagnetic component. Additionally, these measurements show evidence for a strong magnetic frustration characterized by |{theta}/T{sub N}| {approx} 12. Powder neutron diffraction study confirms the presence of a long range antiferromagnetic order coupled to a weak ferromagnetic component along the b-axis. The strongly reduced magnetic moments extracted from the refinement support the existence of a magnetically frustrated ground state. The Moessbauer spectroscopy results confirmed the presence of only Fe{sup 3+} ions in both five and six coordination. The ionic conductivity measurements led to activation energy of 0.81 eV, a value that agrees with the obtained for other rubidium phosphates.

  16. Stabilization of Ca1-dFe2-xMnxO4 (0.44 lt x lt 2) with CaFe2O4-type Structure and Ca2plus Defects in 1D Channels

    SciTech Connect

    T Yang; M Croft; A Ignatov; I Nowik; R Cong; M Greenblatt

    2011-12-31

    Solid solutions of Ca{sub 1-{delta}}Fe{sub 2-x}Mn{sub x}O{sub 4} (0.45 {<=} x {<=} 2) were synthesized from CaCl{sub 2} as flux at 850 C in air. The entire series, even with x = 2, crystallizes in the CaFe{sub 2}O{sub 4}-type structure (Pnma), rather than in the CaMn{sub 2}O{sub 4}-type structure (Pbcm). Rietveld refinements confirmed mixed-valency Mn{sup 3+}/Mn{sup 4+} and a substantial level of Ca{sup 2+} deficiency ({delta} {approx} 0.25) at high x. With increasing x, the unit-cell dimensions a and b decrease, while that of c increases. Detailed structural analyses, together with Mn K-edge X-ray absorption and {sup 57}Fe Moessbauer spectroscopy studies, revealed that the stabilization of CaFe{sub 2}O{sub 4}-type structure, even at high values of x, is due to the existence of non-Jahn-Teller active Mn{sup 4+} (and Fe{sup 3+}), which is compensated by the formation of the Ca{sup 2+} deficiencies in the one-dimensional (1D) channels of Ca{sub 1-{delta}}Fe{sub 2-x}Mn{sub x}O{sub 4} during the flux synthesis. Antiferromagnetic (AFM) long-range ordering is achieved for all compounds at low temperature, because of strong AFM interactions between Mn{sup 3+}/Mn{sup 4+} and Fe{sup 3+}. In addition, a spin (or cluster) glass component was also observed, as expected, because of the extensive Mn/Fe structural and Mn{sup 3+}/Mn{sup 4+} charge disordering.

  17. Influence of pH, iron source, and Fe/ligand ratio on iron speciation in lignosulfonate complexes studied using Mössbauer spectroscopy. Implications on their fertilizer properties.

    PubMed

    Carrasco, Jaime; Kovács, Krisztina; Czech, Viktória; Fodor, Ferenc; Lucena, Juan J; Vértes, Attila; Hernández-Apaolaza, Lourdes

    2012-04-01

    Iron chlorosis is a very common nutritional disorder in plants that can be treated using iron fertilizers. Synthetic chelates have been used to correct this problem, but nowadays environmental concerns have enforced the search for new, more environmentally friendly ligands, such as lignosulfonates. In this paper, Fe coordination environment and speciation in lignosulfonate (LS) complexes prepared under different experimental conditions were studied by (57)Fe Mössbauer spectroscopy in relation to the Fe-complexing capacities, chemical characteristics of the different products, and efficiency to provide iron in agronomic conditions. It has been observed that the complex formation between iron and lignosulfonates involves different coordination sites. When Fe(2+) is used to prepare the iron-LS product, complexes form weak adducts and are sensitive to oxidation, especially at neutral or alkaline pH. However, when Fe(3+) is used to form the complexes, both Fe(2+) and Fe(3+) are found. Reductive sugars, normally present in lignosulfonates, favor a relatively high content of Fe(2+) even in those complexes prepared using Fe(3+). The formation of amorphous ferrihydrite is also possible. With respect to the agronomical relevance of the Fe(2+)/Fe(3+) speciation provided by the Mössbauer spectra, it seems that the strong Fe(3+)-LS complexes are preferred when they are applied to the leaf, whereas root uptake in hydroponics could be more related with the presence of weak bonding sites.

  18. A multidisciplinary study of iron transport and storage in the marine green alga Tetraselmis suecica.

    PubMed

    Hartnett, Andrej; Böttger, Lars H; Matzanke, Berthold F; Carrano, Carl J

    2012-11-01

    The iron uptake and storage systems of terrestrial/higher plants are now reasonably well understood with two basic strategies being distinguished: strategy I involves the induction of a Fe(III)-chelate reductase (ferrireductase) along with Fe(II) or Fe(III) transporter proteins while strategy II plants have evolved sophisticated systems based on high-affinity, iron specific, binding compounds called phytosiderophores. In contrast, there is little knowledge about the corresponding systems in marine, plant-like lineages. Herein we report a study of the iron uptake and storage mechanisms in the green alga Tetraselmis suecica. Short term radio-iron uptake studies indicate that iron is taken up by Tetraselmis in a time and concentration dependent manner consistent with an active transport process. Based on inhibitor and other studies it appears that a reductive-oxidative pathway such as that found in yeast and the green alga Chlamydomonas reinhardtii is likely. Upon long term exposure to (57)Fe we have been able, using a combination of Mössbauer and X-ray absorption spectroscopies, to identify three metabolites. The first exhibits Mössbauer parameters typical of a [Fe(4)S(4)](2+) cluster and which accounts for approximately 10% of the total intracellular iron pool. The second displays a spectrum typical of a [Fe(II)O(6)] system accounting for approximately 2% of the total pool. The largest component (ca. 85+%) consists of polymeric iron-oxo mineral species with parameters between that of the crystalline ferrihydrite core of animal ferritins and the amorphous hydrated ferric phosphate of bacterial and plant ferritins.

  19. Magnetic studies of mesoporous nanostructured iron oxide materials synthesized by one-step soft-templating.

    PubMed

    Jin, Jing; Hines, William A; Kuo, Chung-Hao; Perry, David M; Poyraz, Altug S; Xia, Yan; Zaidi, Taha; Nieh, Mu-Ping; Suib, Steven L

    2015-07-14

    A combined magnetization and (57)Fe spin-echo nuclear magnetic resonance (NMR) study has been carried out on mesoporous nanostructured materials consisting of the magnetite (Fe3O4) and maghemite (γ-Fe2O3) phases. Two series of samples were synthesized using a recently developed one-step soft-templating approach with systematic variations in calcination temperature and reaction atmosphere. Nuclear magnetic resonance has been shown to be a valuable tool for distinguishing between the two magnetic iron oxide spinel phases, Fe3O4 and γ-Fe2O3, on the nanoscale as well as monitoring phase transformation resulting from oxidation. For the Fe3O4 and γ-Fe2O3 phases, peaks in the NMR spectra are attributed to Fe in the tetrahedral (A) sites and octahedral (B) sites. The magnetic field dependence of the peaks was observed and confirmed the site assignments. Fe3O4 on a nanoscale readily oxidizes to form γ-Fe2O3 and this was clearly evident in the NMR spectra. As evidenced by transmission electron microscope (TEM) images, the porous mesostructure for the iron oxide materials is formed by a random close-packed aggregation of nanoparticles; correspondingly, superparamagnetic behavior was observed in the magnetic measurements. Although X-ray diffraction (XRD) shows the spinel structure for the Fe3O4 and γ-Fe2O3 phases, unlike NMR, it is difficult to distinguish between the two phases with XRD. Nitrogen sorption isotherms characterize the mesoporous structures of the materials, and yield BET surface area values and limited BJH pore size distribution curves.

  20. Crystal chemical constraints on inter-mineral Fe isotope fractionation and implications for Fe isotope disequilibrium in San Carlos mantle xenoliths

    NASA Astrophysics Data System (ADS)

    Macris, Catherine A.; Manning, Craig E.; Young, Edward D.

    2015-04-01

    The origin of variations in iron isotope compositions of mantle minerals is uncertain, and predictions of equilibrium inter-mineral iron isotope fractionation conflict. This hinders interpretation of the petrologic and geochemical implications of Fe isotope data from mantle lithologies. To address this, we present a revised ionic model for predicting equilibrium iron isotope fractionation between mantle minerals and use it to interpret measured inter-mineral iron isotopic fractionation from five distinct mantle xenolith lithologies from San Carlos, Arizona. The samples represent a broad range of modal abundances and include lherzolite, harzburgite, dunite, clinopyroxenite, and websterite. The xenoliths exhibit Fe-isotopic variation between minerals in a single sample, and between samples. In all cases where spinel and olivine coexist, the 57Fe/54Fe of spinel is greater than that of the corresponding olivine, agreeing with expectations for equilibrium fractionation from theory (ionic model), but disagreeing with predictions based on Mössbauer data. The 57Fe/54Fe values of clinopyroxenes from the xenoliths show no clear systematic differences. We interpret this to be a result of varying degrees of metasomatism, perhaps involving interaction with a melt. The spinel peridotite samples (lherzolite, harzburgite, and dunite) are partially melted residual mantle that exhibit a decrease in whole-rock 57Fe/54Fe with increasing olivine abundance. This is consistent with progressive extraction of a 57Fe-rich partial melt. The clinopyroxenite has the highest whole-rock 57Fe/54Fe, consistent with its origin as a cumulate from an unrelated magma possessing elevated 57Fe/54Fe. The websterite sample is transitional to Group II type xenoliths, has the lowest whole-rock 57Fe/54Fe of the investigated samples, and likely experienced a more complex metasomatic history. This study demonstrates that the Fe isotope compositions of San Carlos xenoliths and their component minerals record

  1. In-beam Mössbauer spectroscopy of {sup 57}Fe/{sup 57}Mn in MgO and NaF at Heavy-Ion Medical Accelerator in Chiba

    SciTech Connect

    Kubo, M. K.; Kobayashi, Y.; Yamada, Y.; Mihara, M.; Nagatomo, T.; Sato, W.; Miyazaki, J.; Sato, S.; Kitagawa, A.

    2014-02-15

    Development of efficient ion supply of {sup 58}Fe from {sup 58}Fe(C{sub 5}H{sub 5}){sub 2}, and quick switching between therapy and material science at the Heavy-Ion Medical Accelerator in Chiba realized a new {sup 57}Mn in-beam emission Mössbauer spectroscopy measurement system. Application to simple binary chemical compounds, MgO and NaF, proved the usefulness of the system to probe chemical and physical behaviors of trace impurities in solids. Annealing of lattice defects produced by the implantation and β-decay of {sup 57}Mn and/or γ-ray emission recoil was observed by a local probe.

  2. Atypical iron storage in marine brown algae: a multidisciplinary study of iron transport and storage in Ectocarpus siliculosus

    PubMed Central

    Matzanke, Berthold F.; Küpper, Frithjof C.; Carrano, Carl J.

    2012-01-01

    Iron is an essential element for all living organisms due to its ubiquitous role in redox and other enzymes, especially in the context of respiration and photosynthesis. The iron uptake and storage systems of terrestrial/higher plants are now reasonably well understood, with two basic strategies for iron uptake being distinguished: strategy I plants use a mechanism involving induction of Fe(III)-chelate reductase (ferrireductase) and Fe(II) transporter proteins, while strategy II plants utilize high-affinity, iron-specific, binding compounds called phytosiderophores. In contrast, little is known about the corresponding systems in marine, plant-like lineages, particularly those of multicellular algae (seaweeds). Herein the first study of the iron uptake and storage mechanisms in the brown alga Ectocarpus siliculosus is reported. Genomic data suggest that Ectocarpus may use a strategy I approach. Short-term radio-iron uptake studies verified that iron is taken up by Ectocarpus in a time- and concentration-dependent manner consistent with an active transport process. Upon long-term exposure to 57Fe, two metabolites have been identified using a combination of Mössbauer and X-ray absorption spectroscopies. These include an iron–sulphur cluster accounting for ~26% of the total intracellular iron pool and a second component with spectra typical of a polymeric (Fe3+O6) system with parameters similar to the amorphous phosphorus-rich mineral core of bacterial and plant ferritins. This iron metabolite accounts for ~74% of the cellular iron pool and suggests that Ectocarpus contains a non-ferritin but mineral-based iron storage pool. PMID:22945940

  3. Chemical and structural study of 1 M- and 2 M 1-phlogopites coexisting in the same Kasenyi kamafugitic rock (SW Uganda)

    NASA Astrophysics Data System (ADS)

    Lacalamita, Maria; Mesto, Ernesto; Scordari, Fernando; Schingaro, Emanuela

    2012-09-01

    In the present work, crystal chemical variations between 1 M and 2 M 1 phlogopites coexisting in the same rock sample from kamafugite of Kasenyi (southwest Uganda, west branch of the East African Rift) were explored by electron probe microanalyses, single crystal X-ray diffraction and Mössbauer spectroscopy. Chemical analyses revealed close similarity both within and between the two polytypic arrangements as well as high TiO2 (~4.9 wt%) and Al2O3 (~12.9 wt%), and low Cr2O3 (~0.8 wt%), F (~0.3 wt%) and BaO (~0.2 wt%) contents. Room temperature 57Fe Mössbauer investigation proved that the studied mica is a tetraferriphlogopite with: IVFe3+ = 19(1) %, VIFe2+ = 58(1) %, VIFe3+ = 23(1) %. Single crystal refinement showed that both polytypes have narrow range of variation in terms of some relevant unit cell parameters and similar values in terms of mean bond lengths, mean atomic numbers and distortion parameters. Similar substitutions were active in the structure of the 1 M and 2 M 1 studied phlogopites. However, in 2 M 1 polytypes the oxy-type substitutions were found to occur to a greater extent. Comparison of unit layer of 1 M mica (in the 2 M 1 setting) with that of the 2 M 1 ones showed that the 2 M 1 polytypes are affected to different extent by relative shifts of the upper and lower triads of octahedral oxygens along the ± b directions. This effect did not cause any symmetry lowering in the T-O-T layer of the studied samples.

  4. Structural study and physical properties of a new phosphate KCuFe(PO{sub 4}){sub 2}

    SciTech Connect

    Badri, Abdessalem; Hidouri, Mourad; Lopez, Maria Luisa; Pico, Carlos; Wattiaux, Alain; Ben Amara, Mongi

    2011-04-15

    Single crystals of a new phosphate KCuFe(PO{sub 4}){sub 2} have been prepared by the flux method and its structural and physical properties have been investigated. This compound crystallizes in the monoclinic system with the space group P2{sub 1}/n and its parameters are: a=7.958(3) A, b=9.931(2) A, c=9.039(2) A, {beta}=115.59(3){sup o} and Z=4. Its structure consists of FeO{sub 6} octahedra sharing corners with Cu{sub 2}O{sub 8} units of edge-sharing CuO{sub 5} polyhedra to form undulating chains extending infinitely along the b-axis. These chains are connected by the phosphate tetrahedra giving rise to a 3D framework with six-sided tunnels parallel to the [101] direction, where the K{sup +} ions are located. The Moessbauer spectroscopy results confirm the exclusive presence of octahedral Fe{sup 3+} ions. The magnetic measurements show the compound to be antiferromagnetic with C{sub m}=5.71 emu K/mol and {theta}=-156.5 K. The derived experimental effective moment {mu}{sub ex}=6.76{mu}{sub B} is somewhat higher than the theoretical one of {mu}{sub th}=6.16{mu}{sub B}, calculated taking only into account the spin contribution for Fe{sup 3+} and Cu{sup 2+} cations. Electrical measurements allow us to obtain the activation energy (1.22 eV) and the conductivity measurements suggest that the charge carriers through the structure are the potassium cations. -- Graphical abstract: A projection along the [101] direction of the structure showing the six-edged tunnels, occupied by the K{sup +} ions. Display Omitted Highlights: {yields} The reported structure is of a new type. {yields} The structural model is supported by a Moessbauer spectroscopy study. {yields} The magnetic susceptibility results are reported. {yields} The electrical properties are discussed.

  5. Structure and magnetic properties of the cubic oxide fluoride BaFeO{sub 2}F

    SciTech Connect

    Berry, Frank J.; Coomer, Fiona C.; Hancock, Cathryn; Helgason, Orn; Moore, Elaine A.; Slater, Peter R.; Wright, Adrian J.; Thomas, Michael F.

    2011-06-15

    Fluorination of the parent oxide, BaFeO{sub 3-{delta}}, with polyvinylidine fluoride gives rise to a cubic compound with a=4.0603(4) A at 298 K. {sup 57}Fe Moessbauer spectra confirmed that all the iron is present as Fe{sup 3+}. Neutron diffraction data showed complete occupancy of the anion sites, indicating a composition BaFeO{sub 2}F, with a large displacement of the iron off-site. The magnetic ordering temperature was determined as T{sub N}=645{+-}5 K. Neutron diffraction data at 4.2 K established G-type antiferromagnetism with a magnetic moment per Fe{sup 3+} ion of 3.95 {mu}{sub B}. However, magnetisation measurements indicated the presence of a weak ferromagnetic moment that is assigned to the canting of the antiferromagnetic structure. {sup 57}Fe Moessbauer spectra in the temperature range 10-300 K were fitted with a model of fluoride ion distribution that retains charge neutrality of the perovskite unit cell. - Graphical abstract: The cubic oxide fluoride of composition BaFeO{sub 2}F has been synthesised and characterised. Highlights: > Fluorination of BaFeO{sub 3-{delta}} with polyvinylidene fluoride gives a cubic oxide fluoride of composition BaFeO{sub 2}F. > BaFeO{sub 2}F adopts a canted antiferromagnetic structure and is different from the related phase of composition SrFeO{sub 2}F. > A model of fluoride ion distribution about iron in BaFeO{sub 2}F has been explored.

  6. Chemical mixing at “Al on Fe” and “Fe on Al” interfaces

    SciTech Connect

    Süle, P.; Horváth, Z. E.; Kaptás, D.; Bujdosó, L.; Balogh, J.; Nakanishi, A.

    2015-10-07

    The chemical mixing at the “Al on Fe” and “Fe on Al” interfaces was studied by molecular dynamics simulations of the layer growth and by {sup 57}Fe Mössbauer spectroscopy. The concentration distribution along the layer growth direction was calculated for different crystallographic orientations, and atomically sharp “Al on Fe” interfaces were found when Al grows over (001) and (110) oriented Fe layers. The Al/Fe(111) interface is also narrow as compared to the intermixing found at the “Fe on Al” interfaces for any orientation. Conversion electron Mössbauer measurements of trilayers—Al/{sup 57}Fe/Al and Al/{sup 57}Fe/Ag grown simultaneously over Si(111) substrate by vacuum evaporation—support the results of the molecular dynamics calculations.

  7. Behavioral response of pyrite structured Co0.2Fe0.8S2 nano-wires under high-pressure up to 8 GPa - Mössbauer spectroscopic and electrical resistivity studies

    NASA Astrophysics Data System (ADS)

    Chandra, U.; Sharma, P.; Parthasarathy, G.; Sreedhar, B.

    2016-02-01

    Pyrite-structured Co0.2Fe0.8S2 nano wires with aspect ratio 45:1, synthesized using solution colloid method were studied under high pressure up to 8 GPa using 57Fe Mössbauer spectroscopy (using diamond anvil cell) and electrical resistivity (using tungsten carbide cell) techniques. Room temperature S K-edge XANES studies at INFN-LNF synchrotron beam line signified the changes in the electronic structure owing to Co substitution. Magnetic measurements at 5 K demonstrated disordered ferromagnetic behavior similar to Griffith phase. The value of isomer shift identified Fe in divalent, low spin state corresponding to pyrite structure. Higher value of quadrupole splitting observed at ambient condition was due to large lattice strain and electric field gradient generated by large surface to volume ratio of the nano size of the system. With applied pressure, the value followed the expected trend of increase up to 4.3 GPa, then to decrease till 6.4 GPa. Such change in the trend suggested a phase transition. On decompression to ambient pressure, the system seemed to retain high pressure phase and nano structure. The pressure coefficient of electrical resistivity varying from -0.0454 to -0.166 Ω-cm/GPa across the transition pressure of ~4.5 GPa was sluggish suggesting second order phase transition. The pressure-dependent variations by Mössbauer parameters and electrical resistivity showed identical result. This is the first report of pressure effect on nano sized Co0.2Fe0.8S2. Effect of particle size on transition pressure could not be evaluated due to lack of available reports on bulk system.

  8. Observation of Fe-H/D modes by nuclear resonant vibrational spectroscopy.

    PubMed

    Bergmann, Uwe; Sturhahn, Wolfgang; Linn, Donald E; Jenney, Francis E; Adams, Michael W W; Rupnik, Kresimir; Hales, Brian J; Alp, Ercan E; Mayse, Aaron; Cramer, Stephen P

    2003-04-01

    Metal-hydrogen bonding is important in chemistry and catalysis, but H atoms are often difficult to observe, especially in metalloproteins. In this work we show that Fe-H interactions can be probed by nuclear resonance vibrational spectroscopy at the 14.4 keV 57Fe nuclear resonance. An important advantage of this method, compared to Raman and IR spectroscopy, is the selectivity for modes that involve 57Fe motion. We present data on the FeS4 site in rubredoxin and the [FeH(D)6]2- ion. Prospects for studying more complex systems are discussed.

  9. Observation of Fe-H/D Modes by Nuclear Resonant Vibrational Spectroscopy

    SciTech Connect

    Bergman, U B; Sturhahn, W; Linn, D E; Jenny, F E; Adams, M W. W.; Rupnik, K; Hales, B J; Alp, E E; Mayse, A; Cramer, S P; XFD,

    2003-04-01

    Metal-hydrogen bonding is important in chemistry and catalysis, but H atoms are often difficult to observe, especially in metalloproteins. In this work we show that Fe-H interactions can be probed by nuclear resonance vibrational spectroscopy at the 14.4 keV 57Fe nuclear resonance. An important advantage of this method, compared to Raman and IR spectroscopy, is the selectivity for modes that involve {sup 57}Fe motion. We present data on the FeS{sub 4} site in rubredoxin and the [FeH(D){sub 6}]{sup 2-} ion. Prospects for studying more complex systems are discussed.

  10. Vibrational entropy of spinodal decomposition in FeCr

    SciTech Connect

    Swan-Wood, T.L.; Delaire, O.; Fultz, B.

    2005-07-01

    Inelastic neutron-scattering spectra were measured on stoichiometric Fe{sub 0.50}Cr{sub 0.50} prepared as a body-centered-cubic (bcc) solid solution, and after increasing amounts of chemical unmixing on the bcc lattice induced by annealing the solid solution at 773 K. These spectra were reduced by a conventional procedure to a neutron-weighted vibrational density of states. Moessbauer spectrometry was used to characterize the extent of decomposition after annealing. A neutron-weight correction was performed, using results from the Moessbauer spectra and recent data on inelastic nuclear resonant scattering from {sup 57}Fe-Cr. The vibrational entropy of decomposition was found to be -0.17{+-}0.01k{sub B}/atom, nearly equal to the change in configurational entropy after spinodal decomposition. Effects of vibrational entropy on the thermodynamics of unmixing are analyzed, showing a large effect on the free energy with the formation of Cr-rich zones, and a large effect on the critical temperature for spinodal decomposition for equiatomic Fe{sub 0.50}Cr{sub 0.50}.

  11. Exchange interactions in Dy{sub x}Tm{sub 1{minus}x}Fe{sub 10}Si{sub 2} compounds

    SciTech Connect

    Stefanski, P.; Kowalczyk, A.; Budzynski, M.

    1994-03-01

    Moessbauer measurements were performed on Dy{sub x}Tm{sub 1{minus}x}Fe{sub 10}Si{sub 2} samples (x = 0, 0.2, 0.4, 0.6, 0.8, 1.0). The hyperfine magnetic fields at {sup 57}Fe nuclei were investigated, their changes caused by replacement of Tm by Dy atoms. Measurements were performed in transmission geometry using a constant acceleration Moessbauer spectrometer. The substitution of Tm atoms by the Dy atoms causes an increase of internal magnetic fields. In pure TmFe{sub 10}Si{sub 2} the hyperfine magnetic fields at 8(i), 8(j) and 8(f) positions are respectively equal to 25.3, 23.0 and 21.2 T. The complete substitution of Tm by Dy gives the average increase of hyperfine magnetic field magnitude equal to 0.6 T. The molecular field approximation was applied to calculate the intra- and intersublattice exchange interactions considering experimental Curie temperatures of the investigated compounds. The calculated exchange coupling constants between rare earth and iron sublattices increase when substituting Tm by Dy.

  12. Atomic scale study of magnetic phase transitions in (Co,Ti;Sc) substituted nanosize barium hexaferrite

    NASA Astrophysics Data System (ADS)

    Krezhov, Kiril

    BaFe12O19 and related isostructural (M-type) hexaferrites derived by single or double cation substitution for Fe3+ with preservation of the formal valence are a recognized group of oxides for their remarkable properties. The magnetic interactions may be tuned by suitable substitutions resulting in notable magnetic properties utilized extensively for permanent magnets, microwave devices and perpendicular recording media. We report on the magnetic structure evolution accompanying the magnetic anisotropy change, from a combined magnetic (SQUID), x-ray and neutron diffraction, and magnetic field dependent 57Fe Mössbauer study on BaFe12O19 at selected cation substitutions. The short and long range atomic and magnetic order in powder samples of nanosize particles prepared by soft chemistry routes were studied and compared with own and literature data for the parent BaFe12O19 compound prepared by solid state reaction. Refinements based on diffraction data show that the magnetic structures of BaFe12-xXxO19 (X=Co,Ti; Sc) hexaferrites are largely temperature and substitution dependent. Between 200 and 300K the (Co,Ti)-hexaferrites (x=0.4, 0.7, 0.8, 0.85) display ferrimagnetic structures where the canting of the magnetic moments depends on the substitution rate. When lowering the temperature the magnetic structure for x=0.45 remains ferrimagnetic down to 10 K, while for x=0.7 and x=0.8 a complex conical magnetic structures is finally established. For x=0.85 significant distortions in the local oxygen surrounding of ferric cation sites were established, while the grain-size effect on the structural parameters was considerably smaller. The thermal expansion coefficient exhibits a strong anisotropy. The refined magnetic moments are considerably lower than the theoretical spin only moments, especially for the 4e and 12k sites, indicating a local noncollinearity with short-range ordering. The five-cation sublattice collinear ferrimagnetic structure of uniaxial type known as

  13. The DFT DVM theoretical study of the differences of quadrupole splitting and the iron electronic structure for the rough heme models for α- and β-subunits in deoxyhemoglobin and for deoxymyoglobin

    NASA Astrophysics Data System (ADS)

    Yuryeva, E. I.; Oshtrakh, M. I.

    2008-01-01

    Quantum chemical calculations of the iron electron structure and 57Fe quadrupole splitting were made by density functional theory and Xα discrete variation method for the rough heme models for α- and β-subunits in deoxyhemoglobin and for deoxymyoglobin accounting stereochemical differences of the active sites in native proteins. The calculations revealed differences of quadrupole splitting temperature dependences for three models indicating sensitivity of quadrupole splitting and Fe(II) electronic structure to small variations of iron stereochemistry.

  14. Diffusion studies with synchrotron Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Jackson, J. M.

    2011-12-01

    Knowledge of diffusion properties is critical for understanding many physical and chemical processes in planetary interiors. For example, diffusion behavior provides constraints on chemical exchange and viscosity. Nuclear resonances open the window for observing diffusion properties under the extreme conditions that exist deep inside the Earth. Synchrotron Mössbauer spectroscopy (viz. nuclear forward scattering) makes use of synchrotron radiation coherently scattered in the forward direction after nuclear resonant excitation. The decay of the forward-scattered radiation is faster when atoms move on the time scale of the excited-state lifetime because of a loss of coherence. Such diffusion-activated processes lead to accelerated decay and line broadening in the measured signal. In the case of the Mössbauer active isotope 57Fe, the nuclear resonance at 14.4 keV has a natural lifetime of 141 ns. Therefore, one can observe diffusion events ranging from approximately one-sixth to 100 times the natural lifetime of 57Fe, which corresponds to diffusion coefficients of 10-16 and 10-13 m2/s, respectively and a two to three order of magnitude range of suitability. In this contribution, we will describe such measurements that access the microscopic details of the diffusion process for iron-bearing phases.

  15. Mössbauer and XRD study of intercalated CaFe-layered double hydroxides

    NASA Astrophysics Data System (ADS)

    Sipiczki, Mónika; Kuzmann, Ernő; Pálinkó, István; Homonnay, Zoltán; Sipos, Pál; Kukovecz, Ákos; Kónya, Zoltán

    2014-04-01

    N-containing fully saturated (L-prolinate) or aromatic (indole-2-carboxylate) heterocyclic anions were immobilised in CaFe-layered double hydroxide with the dehydration-rehydration method from aqueous ethanol or acetone. The structure of the resulting organic-inorganic hybrids was characterised mainly with powder X-ray diffraction and 57Fe Mössbauer spectroscopy, and as supplementary analysis scanning electron microscopy, energy dispersive X-ray spectroscopy with elemental mapping and molecular modelling were also applied. It was found that the solvent mixture used for the synthesis caused enormous difference in the interlayer spacings of the obtained inorganic-organic hybrids.

  16. Carrier mobility of iron oxide nanoparticles supported on ferroelectrics studied by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Okamoto, T.; Kano, J.; Nakamura, S.; Fuwa, A.; Otoyama, T.; Nakazaki, Y.; Hashimoto, H.; Takada, J.; Ito, M.; Ikeda, N.

    2013-04-01

    57Fe Mössbauer spectroscopy was performed on two types of Fe oxide nanoparticles supported on a typical ferroelectric, BaTiO3. It was found that the valence state of FeO nanoparticles changed to a mixed 2+/3+ state at high temperature where BaTiO3 shows paraelectric behaviour. We attribute this phenomenon to the fluctuation of electric dipoles which realizes carrier injection into the Fe oxides. This is the first report which discusses a dynamical valence state of transition metal oxides supported on ferroelectrics.

  17. Mössbauer study on the deformed surface of high-manganese steel

    NASA Astrophysics Data System (ADS)

    Nasu, S.; Tanimoto, H.; Fujita, F. E.

    1990-07-01

    Conversion electron, X-ray backscattering and conventional transmission57Fe Mössbauer measurements have been performed to investigate the origin of the remarkable work hardening at the surface of a high-manganese steel which is called Hadfield steel. Mössbauer results show that α' martensite has no relation to work hardening. From the comparison of conversion electron to X-ray backscattering spectra, the occurrence of decarbonization is suggested at the surface. The transmission Mössbauer spectrum at 20 K for deformed specimen shows the existence of ɛ martensite which could be related to the work hardening of Hadfield steel.

  18. A study of defects in iron-based binary alloys by the Mössbauer and positron annihilation spectroscopies

    SciTech Connect

    Idczak, R. Konieczny, R.; Chojcan, J.

    2014-03-14

    The room temperature positron annihilation lifetime spectra and {sup 57}Fe Mössbauer spectra were measured for pure Fe as well as for iron-based Fe{sub 1−x}Re{sub x}, Fe{sub 1−x}Os{sub x}, Fe{sub 1−x}Mo{sub x}, and Fe{sub 1−x}Cr{sub x} solid solutions, where x is in the range between 0.01 and 0.05. The measurements were performed in order to check if the known from the literature, theoretical calculations on the interactions between vacancies and solute atoms in iron can be supported by the experimental data. The vacancies were created during formation and further mechanical processing of the iron systems under consideration so the spectra mentioned above were collected at least twice for each studied sample synthesized in an arc furnace— after cold rolling to the thickness of about 40 μm as well as after subsequent annealing at 1270 K for 2 h. It was found that only in Fe and the Fe-Cr system the isolated vacancies thermally generated at high temperatures are not observed at the room temperature and cold rolling of the materials leads to creation of another type of vacancies which were associated with edge dislocations. In the case of other cold-rolled systems, positrons detect vacancies of two types mentioned above and Mössbauer nuclei “see” the vacancies mainly in the vicinity of non-iron atoms. This speaks in favour of the suggestion that in iron matrix the solute atoms of Os, Re, and Mo interact attractively with vacancies as it is predicted by theoretical computations and the energy of the interaction is large enough for existing the pairs vacancy-solute atom at the room temperature. On the other hand, the corresponding interaction for Cr atoms is either repulsive or attractive but smaller than that for Os, Re, and Mo atoms. The latter is in agreement with the theoretical calculations.

  19. Laser-Heated DAC Mössbauer Study of Lower Mantle Phases: Spin Transitions and Implications for Mantle Heterogeneity

    NASA Astrophysics Data System (ADS)

    McCammon, C. A.; Dubrovinsky, L. S.; Potapkin, V.; Glazyrin, K.; Prescher, C.; Kupenko, I.; Chumakov, A.; Rüffer, R.; Kantor, A.; Kantor, I.; Smirnov, G. V.; Popov, S.

    2011-12-01

    57Fe Mössbauer spectroscopy measured in the energy domain remains one of the best methods to determine iron valence and the nature of spin transitions in lower mantle phases, but up until now measurements at high P,T using a diamond anvil cell (DAC) could only be made using external heating and hence were limited to a maximum of around 800 K. Higher temperatures are possible through laser heating; however conventional radioactive sources have limited intensity and essentially no possibilities for focusing in a laboratory setting. To overcome these limitations we have developed an energy domain synchrotron Mössbauer source (SMS) on beamline ID18 at the European Synchrotron Radiation Facility, enabling rapid collection of high quality energy domain Mössbauer spectra. Combined with a portable double-sided laser heating system, SMS spectra can be collected on iron-containing phases at P,T conditions up to those close to the base of the lower mantle in less than one hour. In the current study we performed SMS measurements on several compositions of (Mg,Fe)(Si,Al)O3 perovskite (Pv) as well as Mg0.8Fe0.2O (Fp) up to 122 GPa and 2500 K. All Mössbauer spectra at high pressure and room temperature are consistent with previous observations: a high-spin (HS) to intermediate-spin (IS) transition of Fe2+(Pv) starting at around 30 GPa, a HS to low-spin (LS) transition of Fe2+(Fp) starting at around 50 GPa, and no spin transition in Fe3+(Pv) up to at least 100 GPa. At high temperature all Fe2+ components show the expected strong decrease in both centre shift and quadrupole splitting, which provides an independent measure of temperature based on the Debye model, and shows clearly the strong temperature gradient in one-sided versus double-sided laser heating experiments. Preliminary fitting of the high P,T Mössbauer spectra is consistent with predominantly IS Fe2+ (Pv), HS Fe3+ (Pv) and mixed HS-LS Fe2+ (Fp). The relative proportion of Fe3+ (Pv) does not appear to change

  20. a Spin Relaxation Model for the Moessbauer Spectra of Barium Tin

    NASA Astrophysics Data System (ADS)

    Irwin, George Michael

    The stochastic relaxation theory of Anderson and Sack is applied to the Mossbauer spectra of seven samples of BaSn_{rm x}Ti _{rm 2-x}Fe _4O_{11} with compositions x = 0.0, 0.4, 0.6, 0.8, 1.2, 1.6, and 2.0. The spectra were obtained at room temperature and in the temperature range 20 K to 170 K. The broad, low temperature spectra were analysed using least square fitting to a simple model for Fe^{3+} in which the ionic moment is subject to a molecular field and a perpendicular random field which induces transitions between spin states. The resulting fits rival the results of analyses on similar systems using static hyperfine field distributions while requiring only two free parameters to mimic the temperature dependence of the spectral lineshapes. The results verify a magnetic double transition in the sample with x = 0.0 which disappears as Sn is added, but suggests that the samples with x = 1.2, 1.6, and 2.0 also show a double transition that has not been observed using other methods.

  1. Mineralogy of SNC Meteorite EET79001 by Simultaneous Fitting of Moessbauer Backscatter Spectra

    NASA Technical Reports Server (NTRS)

    Morris, Richard V.; Agresti, D. G.

    2010-01-01

    We have acquired M ssbauer spectra for SNC meteorite EET79001 with a MIMOS II backscatter M ssbauer spectrometer [1] similar to those now operating on Mars as part of the Mars Exploration Rover (MER) missions. We are working to compare the Fe mineralogical composition of martian meteorites with in-situ measurements on Mars. Our samples were hand picked from the >1 mm size fraction of saw fines on the basis of lithology, color, and grain size (Table 1). The chips were individually analyzed at approx.300K by placing them on a piece of plastic that was in turn supported by the contact ring of the instrument (oriented vertically). Tungsten foil was used to mask certain areas from analysis. As shown in Figure 1, a variety of spectra was obtained, each resulting from different relative contributions of the Fe-bearing minerals present in the sample. Because the nine samples are reasonably mixtures of the same Fe-bearing phases in variable proportions, the nine spectra were fit simultaneously (simfit) with a common model, adjusting parameters to a single minimum chi-squared convergence criterion [2]. The starting point for the fitting model and values of hyperfine parameters was the work of Solberg and Burns [3], who identified olivine, pyroxene, and ferrous glass as major, and ilmenite and a ferric phase as minor (<5%), Fe-bearing phases in EET79001.

  2. Circulating non–transferrin-bound iron after oral administration of supplemental and fortification doses of iron to healthy women: a randomized study1234

    PubMed Central

    Andersson, Maria; Egli, Ines; Foman, Jasmin Tajeri; Zeder, Christophe; Westerman, Mark E; Hurrell, Richard F

    2014-01-01

    Background: After the oral administration of iron, the production of circulating non–transferrin-bound iron may contribute to an increased risk of illness in malaria-endemic areas that lack effective medical services. Objective: In healthy women with a range of body iron stores, we aimed to determine effects on the production of circulating non–transferrin-bound iron resulting from the oral administration of 1) a supplemental dose of iron (60 mg) with water, 2) a supplemental dose of iron (60 mg) with a standard test meal, and 3) a fortification dose of iron (6 mg) with a standard test meal. Design: With the use of serum ferritin as the indicator, healthy women with replete iron stores (ferritin concentration >25 μg/L; n = 16) and reduced iron stores (ferritin concentration ≤25 μg/L; n = 16) were enrolled in a prospective, randomized, crossover study. After the oral administration of aqueous solutions of ferrous sulfate isotopically labeled with 54Fe, 57Fe, or 58Fe, blood samples were collected for 8 h, and iron absorption was estimated by erythrocyte incorporation at 14 d. Results: At 4 h, serum non–transferrin-bound iron reached peaks with geometric mean (95% CI) concentrations of 0.81 μmol/L (0.56, 1.1 μmol/L) for 60 mg Fe with water and 0.26 μmol/L (0.15, 0.38 μmol/L) for 60 mg Fe with food but was at assay limits of detection (0.1 μmol Fe/L) for 6 mg Fe with food. For the 60 mg Fe without food, the area under the curve over 8 h for serum non–transferrin-bound iron was positively correlated with the amount of iron absorbed (R = 0.49, P < 0.01) and negatively correlated with serum ferritin (R = −0.39, P < 0.05). Conclusions: In healthy women, the production of circulating non–transferrin-bound iron is determined by the rate and amount of iron absorbed. The highest concentrations of non–transferrin-bound iron resulted from the administration of supplemental doses of iron without food. Little or no circulating non–transferrin-bound iron

  3. Mono- and Dinuclear Iron Complexes of Bis(1-methylimidazol-2-yl)ketone (bik): Structure, Magnetic Properties and Catalytic Oxidation Studies

    PubMed Central

    Bruijnincx, Pieter C. A.; Buurmans, Inge L. C.; Huang, Yuxing; Juhász, Gergely; Viciano-Chumillas, Marta; Quesada, Manuel; Reedijk, Jan; Lutz, Martin; Spek, Anthony L.; Münck, Eckard; Bominaar, Emile L.; Klein Gebbink, Robertus J. M.

    2011-01-01

    The newly synthesized dinuclear complex [FeIII2(μ-OH)2(bik)4](NO3)4 (1) (bik, bis(1-methylimidazol-2-yl)ketone) shows rather short Fe···Fe (3.0723(6) Å) and Fe–O distances (1.941(2)/1.949(2) Å) compared to other unsupported FeIII2(μ-OH)2 complexes. The bridging hydroxide groups of 1 are strongly hydrogen bonded to a nitrate anion. The 57Fe isomer shift (δ = 0.45 mm s−1) and quadrupole splitting (ΔEQ = 0.26 mm s−1) obtained from Mössbauer spectroscopy are consistent with the presence of two identical high-spin iron(III) sites. Variable temperature magnetic susceptibility studies revealed antiferromagnetic exchange (J = 35.9 cm−1 and = JS1·S2) of the metal ions. The optimized DFT geometry of the cation of 1 in the gas phase agrees well with the crystal structure, but both the Fe···Fe and Fe-OH distances are overestimated (3.281 and 2.034 Å, respectively). The agreement in these parameters improves dramatically (3.074 and 1.966 Å) when the hydrogen-bonded nitrate groups are included, reducing the value calculated for J by 35%. Spontaneous reduction of 1 was observed in methanol, yielding a blue [FeII(bik)3]2+ species. Variable temperature magnetic susceptibility measurements of [FeII(bik)3](OTf)2 (2) revealed spin crossover behavior. Thermal hysteresis was observed with 2, due to a loss of co-crystallized solvent molecules, as monitored by thermogravimetric analysis. The hysteresis disappears once the solvent is fully depleted by thermal cycling. [FeII(bik)3](OTf)2 (2) catalyzes the oxidation of alkanes with t-BuOOH. High selectivity for tertiary C-H bond oxidation was observed with adamantane (3°/2° value of 29.6); low alcohol/ketone ratios in cyclohexane and ethylbenzene oxidation, a strong dependence of total turnover number on the presence of O2, and a low retention of configuration in cis-1,2-dimethylcyclohexane oxidation were observed. Stereoselective oxidation of olefins with dihydrogen peroxide yielding epoxides was observed under

  4. A study of the influence of crystallite size on the electrical and magnetic properties of CuFe{sub 2}O{sub 4}

    SciTech Connect

    Iqbal, Muhammad Javed; Yaqub, Nadia; Sepiol, Bogdan; Ismail, Bushra

    2011-11-15

    Graphical abstract: A plot of crystallite size against the normalized values of resistivity, dielectric constant and the drift mobility of the CuFe{sub 2}O{sub 4} materials. Highlights: {yields} The CuFe{sub 2}O{sub 4} materials of different crystallite sizes of <100 nm are prepared by sol-gel method and others of the size of >100 nm by combustion method. {yields} The synthesized samples are characterized for different electrical, dielectrical, magnetic and structural properties. {yields} The results show a sudden change in dc-electrical resistivity, Curie temperature, dielectric parameters, etc. when their crystallite size approaches 84 nm. {yields} This study shows transition from bulk to the nano regime takes place at the particle size of 84 nm. -- Abstract: An attempt has been made to clarify the fundamental assumption that the properties of materials change as the crystallite size of the material is reduced below 100 nm. CuFe{sub 2}O{sub 4} samples of different crystallite sizes were prepared by the sol-gel and combustion methods and then analyzed by X-ray diffraction (XRD), thermal analyses (TGA/DTG) and scanning electron microscopy (SEM) techniques. The magnetic properties were studied by measuring the AC magnetic susceptibility ({chi}) and the Moessbauer spectroscopy. The DC electrical resistivity, dielectric constant, dielectric loss tangent, Curie temperature and hyperfine splitting of the samples change with the crystallite size. The change in the electrical properties is attributed to the formation of discrete energy levels instead of the bands. However, the magnetic parameters change due to the existence of non magnetic surface layers. The isomer shift and the hyperfine splitting show gradual increase with the increase in crystallite sizes.

  5. Relevance of supramolecular interactions, texture and lattice occupancy in the designer iron(II) spin crossover complexes

    SciTech Connect

    Naik, Anil D.; Tinant, Bernard; Muffler, Kai; Wolny, Juliusz A.; Schuenemann, Volker; Garcia, Yann

    2009-06-15

    New Fe{sup II} complexes of formula [Fe(3-Br-phen){sub 2}(NCS){sub 2}].Solvent (Solvent=0.5 CH{sub 3}OH (1), 2 CH{sub 2}Cl{sub 2} (2), desolvation of 2 (3), 0.5 CH{sub 3}COCH{sub 3} (4) and 0 (5)) have been synthesized. {sup 57}Fe Moessbauer and magnetic investigation reveal unique features atypical of classic [Fe(phen){sub 2}(NCS){sub 2}] polymorphs. Complex 1, prepared by precipitation in MeOH, undergoes upon cooling below room temperature an incomplete and gradual thermally induced spin conversion, while 4 prepared by an extraction method remains mostly in the low-spin state. The non solvated compounds 3 and 5, display a more abrupt spin crossover on cooling around T{sub 1/2}=175 K and T{sub 1/2}=198 K, respectively. Defects/soft lattice inclusion due to different methods of material synthesis, extent of aging, reaction medium and associated solvent molecules have enormous influence on the particle size and magnetic properties of these complexes. Scanning electron micrographs helps to establish a logical relationship among methods employed for synthesis, texture of materials and their effect on magnetic properties. The crystal structure of 2 determined in the monoclinic space group P2/c (100 K) reveals a mononuclear complex consisting of a distorted FeN{sub 6} octahedron in the low-spin state, constructed from two 3-bromo-1, 10-phenanthroline and two isothiocyanato anions in cis position. Intermolecular interactions between mononuclear units of the S...Br, S...C(H) and pi-pi type afford a 2D supramolecular network. DFT calculations for the single molecule 2 reveals an energy difference between high-spin and low-spin isomers of 7 kJ/mol suggesting a slight destabilization of the low-spin state compared to [Fe(phen){sub 2}(NCS){sub 2}]. Normal co-ordinate analysis was also carried out for 3 and compared with experimental temperature dependent Raman spectra for 5. - Graphical abstract: New Fe{sup II} complexes of formula [Fe(3-Br-phen){sub 2}(NCS){sub 2}].Solvent

  6. Thermal low spin-high spin equilibrium of Fe(II) in thiospinels CuFe{sub 0.5}(Sn{sub (1-x)}Ti{sub x}){sub 1.5}S{sub 4} (0{<=}x{<=}1)

    SciTech Connect

    Womes, M.; Reibel, C.; Mari, A.; Zitoun, D.

    2011-04-15

    A series of spinel compounds with composition CuFe{sub 0.5}(Sn{sub (1-x)}Ti{sub x}){sub 1.5}S{sub 4} (0{<=}x{<=}1) is analysed by X-ray diffraction, measurements of magnetic susceptibilities and {sup 57}Fe Moessbauer spectroscopy. All samples show a temperature-dependent equilibrium between an electronic low spin 3d(t{sub 2g}){sup 6}(e{sub g}){sup 0} and a high spin 3d(t{sub 2g}){sup 4}(e{sub g}){sup 2} state of the Fe(II) ions. The spin crossover is of the continuous type and extends over several hundred degrees in all samples. The Sn/Ti ratio influences the thermal equilibrium between the two spin states. Substitution of Sn(IV) by the smaller Ti(IV) ions leads to a more compact crystal lattice, which, in contrast to many metal-organic Fe(II) complexes, does not stabilise the low spin state, but increases the residual high spin fraction for T{yields}0 K. The role played by antiferromagnetic spin coupling in the stabilisation of the high spin state is discussed. The results are compared with model calculations treating the effect of magnetic interactions on spin state equilibria. -- Graphical Abstract: Comparison of fractions of high spin Fe(II) from Moessbauer spectra (circles) with plots of {chi}{sub m}T (dots) versus T. Discrepancies between both methods indicate anti-ferromagnetic spin coupling. Display Omitted Research highlights: {yields} Many Fe(II) complexes show thermally induced high spin-low spin crossover. {yields} Spin crossover in spinel compounds is extremely scarce. {yields} Usually, lattice contraction favours the low spin state in Fe(II) complexes. {yields} In these spinels, lattice contraction favours the high spin state. {yields} The stabilisation of the high spin state is explained by spin-spin interactions.

  7. Non-Heme Iron Absorption and Utilization from Typical Whole Chinese Diets in Young Chinese Urban Men Measured by a Double-Labeled Stable Isotope Technique

    PubMed Central

    Yang, Lichen; Zhang, Yuhui; Wang, Jun; Huang, Zhengwu; Gou, Lingyan; Wang, Zhilin; Ren, Tongxiang; Piao, Jianhua; Yang, Xiaoguang

    2016-01-01

    Background This study was to observe the non-heme iron absorption and biological utilization from typical whole Chinese diets in young Chinese healthy urban men, and to observe if the iron absorption and utilization could be affected by the staple food patterns of Southern and Northern China. Materials and Methods Twenty-two young urban men aged 18–24 years were recruited and randomly assigned to two groups in which the staple food was rice and steamed buns, respectively. Each subject received 3 meals containing approximately 3.25 mg stable 57FeSO4 (the ratio of 57Fe content in breakfast, lunch and dinner was 1:2:2) daily for 2 consecutive days. In addition, approximately 2.4 mg 58FeSO4 was administered intravenously to each subject at 30–60 min after dinner each day. Blood samples were collected from each subject to measure the enrichment of the 57Fe and 58Fe. Fourteen days after the experimental diet, non-heme iron absorption was assessed by measuring 57Fe incorporation into red blood cells, and absorbed iron utilization was determined according to the red blood cell incorporation of intravenously infused 58Fe SO4. Results Non-heme iron intake values overall, and in the rice and steamed buns groups were 12.8 ±2.1, 11.3±1.3 and 14.3±1.5 mg, respectively; the mean 57Fe absorption rates were 11±7%, 13±7%, and 8±4%, respectively; and the mean infused 58Fe utilization rates were 85±8%, 84±6%, and 85±10%, respectively. There was no significantly difference in the iron intakes, and 57Fe absorption and infused 58Fe utilization rates between rice and steamed buns groups (all P>0.05). Conclusion We present the non-heme iron absorption and utilization rates from typical whole Chinese diets among young Chinese healthy urban men, which was not affected by the representative staple food patterns of Southern and Northern China. This study will provide a basis for the setting of Chinese iron DRIs. PMID:27099954

  8. Structural and magnetic study of Al{sup 3+} doped Ni{sub 0.75}Zn{sub 0.25}Fe{sub 2−x}Al{sub x}O{sub 4} nanoferrites

    SciTech Connect

    Wang, L.; Rai, B.K.; Mishra, S.R.

    2015-05-15

    Graphical abstract: Hyperfine field of individual sites (inset) and weighted average hyperfine field as a function of Al{sup 3+} content for Ni{sub 0.75}Zn{sub 0.25}Fe{sub 2−x}Al{sub x}O{sub 4}. - Highlights: • Grain size reduction with Al{sup 3+} substitution. • Preferred occupancy of Al{sup 3+} at B site for higher Al{sup 3+} content. • Reduction in Ms, Tc, and hyperfine field with increasing Al{sup 3+} content. • Size dependent variation in coercivity. • Changes in isomer shift due to competing effect of volume and substitution. - Abstract: Nanostructured Al{sup 3+} doped Ni{sub 0.75}Zn{sub 0.25}Fe{sub 2−x}Al{sub x}O{sub 4} (x = 0.0, 0.2, 0.4, 0.6, 0.8, and 1.0) ferrites were synthesized via the wet chemical method. X-ray diffraction, transmission electron microscopy, and magnetization measurements have been used to investigate the structural and magnetic properties of spinel ferrites calcined at 950 °C. With the doping of Al{sup 3+}, the particle size of Ni{sub 0.75}Zn{sub 0.25}Fe{sub 2−x}Al{sub x}O{sub 4} first increased to 47 nm at x = 0.4 and then decreased down to 37 nm at x = 1. The main two absorption bands in IR spectra were observed around 600 cm{sup −1} and 400 cm{sup −1} corresponding to stretching vibration of tetrahedral and octahedral group Fe{sup 3+}–O{sup 2−}. Saturation magnetization and hyperfine field values decreased linearly with Al{sup 3+} due to magnetic dilution and the relative strengths of Fe–O–Me (Me = Fe, Ni, Zn, and Al) superexchanges. The coercive field showed an inverse dependence on ferrite particle size with minimum value of 82 Oe for x = 0.4. A continuous drop in Curie temperature was observed with the Al{sup 3+} substitution. From the Moessbauer spectral analysis and X-ray diffraction analysis, it is deduced that Al{sup 3+} for x < 0.4 has no obvious preference for either tetrahedral or octahedral site but has a greater preference for the B site for x > 0.4. In nutshell the study presents detailed

  9. The influence of microstructure on magnetic properties of nanocrystalline Fe-Pt-Nb-B permanent magnet ribbons

    SciTech Connect

    Randrianantoandro, N.; Greneche, J. M.; Crisan, A. D.; Crisan, O.; Marcin, J.; Kovac, J.; Hanko, J.; Skorvanek, I.; Svec, P.; Chrobak, A.

    2010-11-15

    A FePt-based hard-magnetic nanocomposite of exchange spring type was prepared by isothermal annealing of melt-spun Fe{sub 52}Pt{sub 28}Nb{sub 2}B{sub 18} (atomic percent) ribbons. The relationship between microstructure and magnetic properties was investigated by qualitative and quantitative structural analysis based on the x-ray diffraction, transmission electron microscopy, and {sup 57}Fe Moessbauer spectrometry on one hand and the superconducting quantum interference device magnetometry on the other hand. The microstructure consists of L1{sub 0}-FePt hard-magnetic grains (15-45 nm in diameter) dispersed in a soft magnetic medium composed by A1 FePt, Fe{sub 2}B, and boron-rich (FeB)PtNb remainder phase. The ribbons annealed at 700 deg. C for 1 h exhibit promising hard-magnetic properties at room temperature: M{sub r}/M{sub s}=0.69; H{sub c}=820 kA/m and (BH){sub max}=70 kJ/m{sup 3}. Strong exchange coupling between hard and soft magnetic phases was demonstrated by a smooth demagnetizing curve and positive {delta}M-peak in the Henkel plot. The magnetic properties measured from 5 to 750 K reveals that the hard characteristics remains rather stable up to 550 K, indicating a good prospect for the use of these permanent magnets in a wide temperature range.

  10. Magnetic properties of cobalt-ferrite nanoparticles embedded in polystyrene resin

    SciTech Connect

    Vaishnava, P. P.; Senaratne, U.; Buc, E.; Naik, R.; Naik, V. M.; Tsoi, G.; Wenger, L. E.; Boolchand, P.

    2006-04-15

    Samples of maghemite and cobalt-ferrite nanoparticles (sizes, 3-10 nm) were prepared by cross-linking sulfonated polystyrene resin with aqueous solutions of (1) FeCl{sub 2}, (2) 80%FeCl{sub 2}+20%CoCl{sub 2}, (3) FeCl{sub 3}, and (4) 80%FeCl{sub 3}+20%CoCl{sub 2} by volume. Chemical analysis, x-ray powder-diffraction, and {sup 57}Fe Moessbauer spectroscopic measurements show that samples 1 and 3 consist of {gamma}-Fe{sub 2}O{sub 3} nanoparticles (sizes, {approx}10 and 3 nm) and sample 2 and 4 consist of Co{sub x}Fe{sub 3-x}O{sub 4} nanoparticles (sizes, {approx}10 and 4 nm). The temperature dependence of the zero-field-cooled and field-cooled magnetizations at low temperatures, together with a magnetic hysteresis in the M versus H data below blocking temperatures, demonstrate superparamagnetic behavior. The introduction of Co in the iron oxide-resin matrix results in an increase in the blocking temperature of nanoparticles.

  11. Structure and magnetic properties of Y{sub 1-x}Lu{sub x}FeO{sub 3} (0 {<=} x {<=} 1) ceramics

    SciTech Connect

    Yuan Xueping; Tang Yankun; Sun Yue; Xu Mingxiang

    2012-03-01

    Polycrystalline Lu-doped YFeO{sub 3} samples with perovskite structure were synthesized by solid-state reaction. Powder X-ray diffraction, scanning electron microscopy, and energy dispersive X-ray analysis manifest the high quality of the samples. Room temperature {sup 57}Fe Moessbauer spectra indicate that only the Fe{sup 3+} exists in the samples, which excludes the formation of multiple valence of Fe. The large effective magnetic moments of Fe{sup 3+} obtained from the temperature dependence of magnetization data can be explained in terms of the formation of ferromagnetic clusters. Field-dependent magnetization reveals that all the samples show weak ferromagnetic property due to the small canting of the Fe{sup 3+} moments. The field-induced spin-reorientation was detected on YFeO{sub 3} and was gradually suppressed by Lu{sup 3+} doping. Polarization hysteresis loops of Y{sub 1-x}Lu{sub x}FeO{sub 3} (0 {<=} x {<=} 1) were observed at room temperature. Our results suggest that the multiferroic properties may exist in the Y{sub 1-x}Lu{sub x}FeO{sub 3} (0 {<=} x {<=} 1) ceramics.

  12. Extracellular iron-sulfur precipitates from growth of Desulfovibrio desulfuricans

    SciTech Connect

    Antonio, M. R.; Tischler, M. L.; Witzcak, D.

    1999-12-20

    The authors have examined extracellular iron-bearing precipitates resulting from the growth of Desulfovibrio desulfuricans in a basal medium with lactate as the carbon source and ferrous sulfate. Black precipitates were obtained when D. desulfuricans was grown with an excess of FeSO{sub 4}. When D. desulfuricans was grown under conditions with low amounts of FeSO{sub 4}, brown precipitates were obtained. The precipitates were characterized by iron K-edge XAFS (X-ray absorption fine structure), {sup 57}Fe Moessbauer-effect spectroscopy, and powder X-ray diffraction. Both were noncrystalline and nonmagnetic (at room temperature) solids containing high-spin Fe(III). The spectroscopic data for the black precipitates indicate the formation of an iron-sulfur phase with 6 nearest S neighbors about Fe at an average distance of 2.24(1) {angstrom}, whereas the brown precipitates are an iron-oxygen-sulfur phase with 6 nearest O neighbors about Fe at an average distance of 1.95(1) {angstrom}.

  13. Level Densities of Residual Nuclei from particle evaporation of {sup 64}Cu

    SciTech Connect

    Oginni, B. M.; Grimes, S. M.; Voinov, A. V.; Adekola, A. S.; Brune, C. R.; Carter, D.; Heinen, Z.; Jacobs, D.; Massey, T. N.; O'Donnell, J.

    2009-07-06

    The reactions of {sup 6}Li on {sup 58}Fe and {sup 7}Li on {sup 57}Fe have been studied at beam energy 15 MeV. These two reactions produce the same compound nucleus, {sup 64}Cu. The neutron, proton, and alpha spectra were measured at backward angles. The data obtained have been compared with Hauser Fesh-bach model calculations. The level density parameters of the residual nuclei have been obtained from the particle evaporation spectra.

  14. Mössbauer spectra obtained using β - γ coincidence method after 57Mn implantation into LiH and LiD

    NASA Astrophysics Data System (ADS)

    Sato, Y.; Kobayashi, Y.; Yamada, Y.; Kubo, M. K.; Mihara, M.; Nagatomo, T.; Sato, W.; Miyazaki, J.; Tanigawa, S.; Natori, D.; Sato, S.; Kitagawa, A.

    2016-12-01

    Highly energetic 57Mn ( T 1/2 = 1.45 m) was generated by nuclear projectile fragmentation in a heavy-ion accelerator, and implanted into lithium hydride (LiH) and lithium deuteride (LiD) at 578 K. Mössbauer spectroscopy with β - γ coincidence detection was then carried out on the 57Fe obtained from β -decay of the 57Mn to study the time dependence of the site distributions and coordination environments of dilute Fe atoms implanted in the LiH and LiD. The results suggest that the Fe atoms can substitute for either the Li and H or D atoms within 100 ns. Additionally, the displacement behavior of the substitutional 57Fe atoms on the lattice sites is discussed.

  15. A Calorimetric Study of Almandine: Are the Thermodynamic Properties of the End-Member Aluminosilicate Garnets Finally Known Quantitatively?

    NASA Astrophysics Data System (ADS)

    Dachs, E.; Geiger, C. A.; Benisek, A.

    2012-12-01

    The aluminosilicate garnets (E3Al2Si3O12 with E = Fe2+, Mn2+, Ca, Mg) form an important rock-forming mineral group. Much study has been directed toward determining their thermodynamic properties. The iron end-member almandine (Fe3Al2Si3O12) is a key phase in many petrologic investigations. As part of an ongoing calorimetric and thermodynamic study of the aluminosilicate garnets, the heat capacity of three synthetic well-characterized polycrystalline almandine garnets and one natural almandine-rich single crystal was measured. The various garnets were characterized by optical microscopy, electron-microprobe analysis, X-ray powder diffraction and 57Fe Mössbauer spectroscopy. Heat capacity measurements were performed in the temperature range 3 to 300 K using relaxation calorimetry and between 282 and 764 K using DSC methods. From the former, So values between 336.7 ± 0.8 and 337.8 ± 0.8 J/molK are calculated for the different samples. The smaller value is considered the best So for end-member stoichiometric almandine, because it derives from the "best" Fe3+-free synthetic sample. The Cp behavior for almandine at T > 298 K is given by the polynomial (in J/molK): Cp = 649.06(±4) - 3837.57(±122)T-0.5 - 1.44682(±0.06)107T-2 + 1.94834(±0.09)109T-3, which is calculated using DSC data together with one published heat-content datum determined by transposed-drop calorimetry along with a new determination that gives H1181K - H302K = 415.0 ± 3.2 kJ/mole. Almandine shows a λ-type heat-capacity anomaly at low temperatures resulting from a paramagnetic-antiferromagnetic phase transition at about 9 K. The lattice heat capacity was calculated using the single-parameter phonon dispersion model of Komada and Westrum (1997), which allows the non-lattice heat capacity (Cex) behavior to be modelled. An analysis shows the presence of an electronic heat-capacity contribution (Cel - Schottky anomaly) around 17 K that is superimposed on a larger magnetic heat-capacity effect (Cmag

  16. Iron absorption and red blood cell incorporation in premature infants fed an iron-fortified infant formula.

    PubMed

    McDonald, M C; Abrams, S A; Schanler, R J

    1998-10-01

    This study was designed to identify differences in red blood cell (RBC) incorporation and iron absorption in premature infants between iron provided in a premature infant formula compared with iron provided as a supplement between feedings. We used a triple stable isotope technique in which 13 infants received 57Fe mixed with Enfamil Premature Formula on d 1 of the study, and 54Fe with a multivitamin supplement between meals on d 2. Two weeks later, blood was drawn for isotope analysis and 58Fe was given i.v. The percentage RBC incorporation of the 54Fe and 57Fe was calculated, and the percent absorption of these tracers was estimated by dividing by the percentage of 58Fe identified in RBCs 14 d after its infusion. We found a small, but significantly greater, percentage of RBC incorporation of the 54Fe given as a supplement compared with the 57Fe given in the formula (9.7 +/- 3.8% versus 7.8 +/- 3.1%, p = 0.02). The RBC 57Fe incorporation was closely correlated with the reticulocyte count (r = 0.80, p = 0.001), but not the serum ferritin or the Hb concentration. Approximately 68% of an i.v. dose of 58Fe was incorporated into RBCs. These findings indicate 1) iron is incorporated well into RBCs from preterm infant formula, with only a small increase in incorporation when given as a supplement, and 2) the reticulocyte count, but not the Hb concentration, is a good measure of RBC iron-incorporating capacity.

  17. Fe isotope behaviours during sulfide-dominated skarn-type mineralisation

    NASA Astrophysics Data System (ADS)

    Wang, Yue; Zhu, Xiang-kun; Cheng, Yanbo

    2015-05-01

    Fe isotope compositions of mineral separates and bulk samples from Dongguashan and Fenghuangshan skarn type Cu-Fe deposits in Tongling District, Middle-Lower Yangtze Valley Cu-Fe-Au-Mo polymetallic belt have been investigated. Differences in δ57Fe values exist in co-precipitated bornite-chalcopyrite and pyrite-chalcopyrite mineral pairs. The bornite is enriched in light iron isotopes relative to coexisting chalcopyrite, whereas pyrite samples show a tendency of heavy isotopes enrichment relative to chalcopyrite. Moreover, the δ57Fe values of endoskarn and the earliest formed Fe-mineral phase magnetite of the three deposits investigated in Tongling district are consistently lower relative to ore-related igneous rocks, suggesting Fe isotopic fractionation occurs during fluid exsolution and exsolved fluid is enriched in light Fe isotopes relative to the stock. Furthermore, spatial and temporal variations in δ57Fe values within single mineral phases are observed, suggesting iron isotopic fractionation occurs between mineral and fluid phases as a result of precipitation of Fe-bearing minerals during fluid evolution. Overall, according to Fe isotope compositions of three representative skarn deposits formed under the same geological setting in Tongling district, this study indicates that Fe isotopes have the potential to unraveling ore-forming processes, as well as constraining the metal sources of skarn deposits. Combining with results of previous studies, a protocol for using Fe isotopes to trace skarn-type metallogeny is proposed.

  18. Local structure study of Fe dopants in Ni-deficit Ni3Al alloys

    DOE PAGESBeta

    V. N. Ivanovski; Umicevic, A.; Belosevic-Cavor, J.; Lei, Hechang; Li, Lijun; Cekic, B.; Koteski, V.; Petrovic, C.

    2015-08-24

    We found that the local electronic and magnetic structure, hyperfine interactions, and phase composition of polycrystalline Ni–deficient Ni 3-x FexAl (x = 0.18 and 0.36) were investigated by means of 57 Fe Mössbauer spectroscopy. The samples were characterized by X–ray diffraction and magnetization measurements. The ab initio calculations performed with the projector augmented wave method and the calculations of the energies of iron point defects were done to elucidate the electronic structure and site preference of Fe doped Ni 3 Al. Moreover, the value of calculated electric field gradient tensor Vzz=1.6 1021Vm-2 matches well with the results of Mössbauer spectroscopymore » and indicates that the Fe atoms occupy Ni sites.« less

  19. Spin freezing process in a reentrant ferromagnet studied by neutron depolarization analysis

    SciTech Connect

    Sato, T.; Shinohara, T.; Ogawa, T.; Takeda, M.

    2004-10-01

    The spin freezing process and the magnetic nature of reentrant spin-glass (RSG) and the ferromagnetic (FM) phases of a typical reentrant ferromagnet Ni{sub 78}Mn{sub 22} were investigated based on neutron depolarization analysis, and the results were compared with the previous Moessbauer measurements [Phys. Rev. B 64, 184432 (2001)]. The wavelength-dependent polarization, under a field cooled (FC) condition, showed the damped oscillatory behavior in both the RSG and FM phases, except in the temperature region just above the RSG temperature T{sub RSG}{approx}60 K. At a temperature of around 80 K, however, it showed a double oscillatory behavior. The field integral I, which is proportional to the mean local magnetic induction, was deduced as a function of the temperature. Two branches of temperature-dependent field integrals were found: a low-temperature I{sub low}-branch, which has a small value of I, stopped at a temperature below the Curie temperature T{sub C}{approx}160 K, and a high temperature I{sub high}-branch, which has a large value of I, appeared just below 80 K. This means that there are two kinds of magnetic environments, and they have different values of magnetization. This is consistent with the observation of the double peak spectrum of the hyperfine field in the previous Moessbauer measurements. The present neutron data and the Moessbauer data can be interpreted along a scenario of reentrant behavior, which consists of the low-temperature spin canting state and the ''melting of frustrated spins'' mechanism introduced by Saslow and Parker [Phys. Rev. Lett. 56, 1074 (1986)], except for the absence of the observation of singularity in the temperature-dependent magnetization. Based on such considerations, we constructed a comprehensive picture of the spin freezing process and the magnetic nature of the RSG and FM phases in the reentrant ferromagnet.

  20. Low temperature behavior of hyperfine fields in amorphous and nanocrystalline FeMoCuB

    SciTech Connect

    Kohout, Jaroslav; Křišt'an, Petr; Kubániová, Denisa; Kmječ, Tomáš; Závěta, Karel; Štepánková, Helena; Lančok, Adriana; Sklenka, L'ubomír; Matúš, Peter; and others

    2015-05-07

    Low temperature (4.2 K) magnetic behavior of Fe{sub 76}Mo{sub 8}Cu{sub 1}B{sub 15} metallic glass was studied by {sup 57}Fe Mössbauer spectrometry (MS) and {sup 57}Fe NMR. Distributions of hyperfine magnetic fields P(B) were determined for as-quenched and annealed (nanocrystalline) samples with relative fraction of the grains about 43%. P(B) distributions were derived for both the amorphous matrix and nanocrystalline grains. NMR of alloys with natural and {sup 57}Fe enriched Fe enabled to assess the contribution of {sup 11}B to the total NMR signal. P(B) distribution of the as-quenched alloy derived from MS matches reasonably well the one from NMR of the enriched sample. NMR signal from the sample with natural Fe exhibits contributions from {sup 11}B nuclei. The principal NMR lines of the annealed alloys at 47 MHz correspond to bcc Fe nanocrystals. Small asymmetry of the lines towards higher frequencies might be an indication of possible impurity atoms in the bcc structure. The observed differences between natural and enriched samples are attributed to higher sensitivity in the latter. Positions of the lines attributed to bcc Fe nanocrystals obtained from MS and NMR are in perfect agreement.

  1. Non-traditional stable isotope behaviors in immiscible silica-melts in a mafic magma chamber

    PubMed Central

    Zhu, Dan; Bao, Huiming; Liu, Yun

    2015-01-01

    Non-traditional stable isotopes have increasingly been applied to studies of igneous processes including planetary differentiation. Equilibrium isotope fractionation of these elements in silicates is expected to be negligible at magmatic temperatures (δ57Fe difference often less than 0.2 per mil). However, an increasing number of data has revealed a puzzling observation, e.g., the δ57Fe for silicic magmas ranges from 0‰ up to 0.6‰, with the most positive δ57Fe almost exclusively found in A-type granitoids. Several interpretations have been proposed by different research groups, but these have so far failed to explain some aspects of the observations. Here we propose a dynamic, diffusion-induced isotope fractionation model that assumes Si-melts are growing and ascending immiscibly in a Fe-rich bulk magma chamber. Our model offers predictions on the behavior of non-traditional stable isotope such as Fe, Mg, Si, and Li that are consistent with observations from many A-type granitoids, especially those associated with layered intrusions. Diffusion-induced isotope fractionation may be more commonly preserved in magmatic rocks than was originally predicted. PMID:26620121

  2. Characterisation of Kaolinitic Clays from the Ivory Coast: Identification of Structural Fe

    NASA Astrophysics Data System (ADS)

    Sei, J.; Abba Touré, A.; Olivier-Fourcade, J.; Quiquampoix, H.; Staunton, S.; Jumas, J. C.; Womes, M.

    2004-09-01

    Five clays from four different deposits in the Ivory Coast (Adattié, Nieki, Grand-Bassam, Nigui-Saff) were studied by 57Fe Mössbauer spectroscopy and electron paramagnetic resonance (EPR) at room temperature. Their chemical compositions were determined by X-ray fluorescence and the most important crystalline phases were identified by X-ray diffraction. In these natural clays, kaolinite is the dominant mineral phase with minor amounts of other minerals including quartz, haematite, goethite, lepidocrocite and illite. Room-temperature 57Fe Mössbauer spectra of the samples from Nieki, Adattié and Nigui-Saff show mainly a broad quadrupole-split doublet which indicates that iron is essentially present as Fe(III). Samples from Grand-Bassam contain important amounts of goethite (α-FeOOH) and lepidocrocite (γ-FeOOH). Some samples from Nigui-Saff contain large amounts of haematite. Clays from Nieki and Adattié are characterised by very low concentrations of iron oxides or hydroxides, and by small amounts of structural Fe(II) in the kaolinite lattice. Oxidation states and lattice sites of structural iron in the kaolinites were determined by 57Fe Mössbauer spectra recorded after iron extraction with dithionite-citrate-bicarbonate (DCB). The results were confirmed by electron paramagnetic resonance (EPR) measurements.

  3. Non-traditional stable isotope behaviors in immiscible silica-melts in a mafic magma chamber.

    PubMed

    Zhu, Dan; Bao, Huiming; Liu, Yun

    2015-01-01

    Non-traditional stable isotopes have increasingly been applied to studies of igneous processes including planetary differentiation. Equilibrium isotope fractionation of these elements in silicates is expected to be negligible at magmatic temperatures (δ(57)Fe difference often less than 0.2 per mil). However, an increasing number of data has revealed a puzzling observation, e.g., the δ(57)Fe for silicic magmas ranges from 0‰ up to 0.6‰, with the most positive δ(57)Fe almost exclusively found in A-type granitoids. Several interpretations have been proposed by different research groups, but these have so far failed to explain some aspects of the observations. Here we propose a dynamic, diffusion-induced isotope fractionation model that assumes Si-melts are growing and ascending immiscibly in a Fe-rich bulk magma chamber. Our model offers predictions on the behavior of non-traditional stable isotope such as Fe, Mg, Si, and Li that are consistent with observations from many A-type granitoids, especially those associated with layered intrusions. Diffusion-induced isotope fractionation may be more commonly preserved in magmatic rocks than was originally predicted. PMID:26620121

  4. Non-traditional stable isotope behaviors in immiscible silica-melts in a mafic magma chamber.

    PubMed

    Zhu, Dan; Bao, Huiming; Liu, Yun

    2015-12-01

    Non-traditional stable isotopes have increasingly been applied to studies of igneous processes including planetary differentiation. Equilibrium isotope fractionation of these elements in silicates is expected to be negligible at magmatic temperatures (δ(57)Fe difference often less than 0.2 per mil). However, an increasing number of data has revealed a puzzling observation, e.g., the δ(57)Fe for silicic magmas ranges from 0‰ up to 0.6‰, with the most positive δ(57)Fe almost exclusively found in A-type granitoids. Several interpretations have been proposed by different research groups, but these have so far failed to explain some aspects of the observations. Here we propose a dynamic, diffusion-induced isotope fractionation model that assumes Si-melts are growing and ascending immiscibly in a Fe-rich bulk magma chamber. Our model offers predictions on the behavior of non-traditional stable isotope such as Fe, Mg, Si, and Li that are consistent with observations from many A-type granitoids, especially those associated with layered intrusions. Diffusion-induced isotope fractionation may be more commonly preserved in magmatic rocks than was originally predicted.

  5. Non-traditional stable isotope behaviors in immiscible silica-melts in a mafic magma chamber

    NASA Astrophysics Data System (ADS)

    Zhu, Dan; Bao, Huiming; Liu, Yun

    2015-12-01

    Non-traditional stable isotopes have increasingly been applied to studies of igneous processes including planetary differentiation. Equilibrium isotope fractionation of these elements in silicates is expected to be negligible at magmatic temperatures (δ57Fe difference often less than 0.2 per mil). However, an increasing number of data has revealed a puzzling observation, e.g., the δ57Fe for silicic magmas ranges from 0‰ up to 0.6‰, with the most positive δ57Fe almost exclusively found in A-type granitoids. Several interpretations have been proposed by different research groups, but these have so far failed to explain some aspects of the observations. Here we propose a dynamic, diffusion-induced isotope fractionation model that assumes Si-melts are growing and ascending immiscibly in a Fe-rich bulk magma chamber. Our model offers predictions on the behavior of non-traditional stable isotope such as Fe, Mg, Si, and Li that are consistent with observations from many A-type granitoids, especially those associated with layered intrusions. Diffusion-induced isotope fractionation may be more commonly preserved in magmatic rocks than was originally predicted.

  6. Hydride Properties and IRON-57 Mossbauer Effect Studies in TITANIUM(COPPER(1-Y)IRON(Y)) Intermetallic Compounds.

    NASA Astrophysics Data System (ADS)

    Zakaria, Ahmad

    1987-12-01

    The hydrogen absorption properties of the Ti(Cu _{rm 1-y}Fe _{rm y}) (0 <=q y <=q 1) intermetallic compound were systematically investigated. X-ray diffraction data indicated that the intermetallic compound adopted the gammaTiCu structure for 0 <=q y <=q.1 and crystallized in the TiFe structure for.5 <=q y <=q 1. A mixture of these two phases was observed for 0.1 < y <.5. The lattice parameters for the pure intermetallic compounds and hydrided samples were measured. The heat of hydride formation, DeltaH, as a function of Fe content was determined from pressure-composition isotherms and the Van't Hoff relation. In the composition range 0 <=q y <=q.1 the value of DeltaH varied from -74.3 kJ (mole H_{2 })^{-1} to -59.1 kJ (mole H_{2})^{ -1}. For.5 <=q y <=q 1 it went from -49.5 kJ (mole H_{2})^{-1} to -27.3 kJ (mole H_ {2})^{-1}. We have found that DeltaH values derived from a model proposed by Shilov et al. for calculating DeltaH of the multicomponent hydrides were in good agreement with the experimental data by about 3%. Other properties of the hydride such as hydrogen storage capacity and hysteresis effect were also found to be y dependent. Systematic ^{57}Fe Mossbauer effect studies were also carried out in the intermetallic compound and hydride systems with the emphasis on the isomer shift measurements. The total s-electron densities at the Fe nucleus (|psi_{ rm s}({rm o})|^ {2}) increases when the Fe content y decreases in the pure intermetallic compounds. | psi_{rm s}({rm o })|^{2} decreases with the introduction of the hydrogen. In the hydride system |psi_{rm s}({rm o})|^{2 } was found to be y independent. Interpretation of the data was based on the changes in | psi_{rm s}({rm o })|^{2} due to expansion and contraction of the host lattice and the electronic structure differences. The decrease in | psi_{rm s}({rm o })|^{2} due to the hydrogenation in the TiCu-like hydride (0 <=q y <=q.1) could be accounted for by the volume effect only. For TiFe-like hydride

  7. Moessbauer/XRF MIMOS Instrumentation and Operation During the 2012 Analog Field Test on Mauna Kea Volcano, Hawaii

    NASA Technical Reports Server (NTRS)

    Graff, Trevor G.; Morris, R. V.; Klingelhofer, G.; Blumers, M.

    2013-01-01

    Field testing and scientific investigations were conducted on the Mauna Kea Volcano, Hawaii, as part of the 2012 Moon and Mars Analog Mission Activities (MMAMA). Measurements were conducted using both stand-alone and rover-mounted instruments to determine the geophysical and geochemical properties of the field site, as well as provide operational constraints and science considerations for future robotic and human missions [1]. Reported here are the results from the two MIMOS instruments deployed as part of this planetary analog field test.

  8. Decay of {sup 161m1,m2}Dy isomers under conditions of a resonance environment (Moessbauer Screen)

    SciTech Connect

    Loginov, Yu. E. Zinoviev, V. G.; Kabina, L. P.; Lisin, S. S.; Maljutenkov, Ed. I.

    2013-06-15

    The half-lives of the isomers {sup 161m1}Dy and {sup 161m2}Dy (E = 25.6 keV and T{sub 1/2} {approx} 30 ns for the former and E = 74.6 keV and T{sub 1/2} {approx} 3 ns for the latter) placed in a {sup 160}Gd{sub 2}O{sub 3} crystal lattice at T = 300 K and surrounded by stable {sup 161}Dy nuclei in the composition of {sup 161}Dy{sub 2}O{sub 3} were measured by the method of ({beta}-{gamma}) coincidences in the beta-decay process {sup 161}Tb {yields} {sup 161}Dy. Nuclei of {sup 161m1,m2}Dy were obtained according to the chain {sup 160}Gd(n, {gamma}){sup 161}Gd {yields} {sup 161}Tb {yields} {sup 161}Dy from {sup 160}Dy{sub 2}O{sub 3} weighted portions irradiated at the PWR-M reactor of the Petersburg Nuclear Physics Institute (PNPI, Gatchina, Russia). The T{sub 1/2} value observed for the isomer {sup 161m1}Dy was found to be correlated with the number of surrounding {sup 161}Dy nuclei. The presence of this correlation in {sup 161m1}Dy can be explained by the multiple resonance scattering of photons from isomer decay within the sample used. No such correlation was observed for {sup 161m2}Dy. The half-lives measured for the isomers {sup 161m1}Dy and {sup 161m2}Dy in the absence of the above environment are 29.2(1) and 3.50(1) ns, respectively.

  9. Mossbauer and spectral (visible and near-IR) data for Fe(3+)-substituted rutile

    NASA Technical Reports Server (NTRS)

    Lauer, H. V., Jr.; Morris, R. V.; Vempati, R. K.

    1994-01-01

    Titanohematite and rutile containing some Fe(3+) are possible highly oxidized weathering products of ilmenite and titanomagnetities. We report here Moessbauer and reflectivity data (visible and near-IR) for Fe(3+)-substituted rutile as a part of our continuing studies of ferric-substituted minerals that might have bearing on the interpretation of Martian spectral data.

  10. Abiotic U(VI) Reduction by Sorbed Fe(II) on Natural Sediments

    SciTech Connect

    Fox, Patricia M.; Davis, James A.; Kukkadapu, Ravi K.; Singer, David M.; Bargar, John R.; Williams, Kenneth H.

    2013-09-15

    Laboratory experiments were performed as a function of aqueous Fe(II) concentration to determine the uptake and oxidation of Fe(II), and Fe(II)-mediated abiotic reduction of U(VI) by aquifer sediments from the Rifle IFRC field site in Colorado, USA. Mössbauer analysis of the sediments spiked with aqueous 57Fe(II) showed that 57Fe(II) was oxidized on the mineral surfaces to 57Fe(III) and most likely formed a nano-particulate Fe(III)-oxide or ferrihydrite-like phase. The extent of 57Fe oxidation decreased with increasing 57Fe(II) uptake, such that 100 % was oxidized at 7.3 μmol/g Fe and 52 % at 39.6 μmol/g Fe, indicating that the sediments had a finite capacity for oxidation of Fe(II). Abiotic U(VI) reduction was observed by XANES spectroscopy only when the Fe(II) uptake was greater than approximately 20 μmol/g and surface-bound Fe(II) was present. The level of U(VI) reduction increased with increasing Fe(II)- loading above this level to a maximum of 18 and 36 % U(IV) at pH 7.2 (40.7 μmol/g Fe) and 8.3 (56.1 μmol/g Fe), respectively in the presence of 400 ppm CO2. Greater U(VI) reduction was observed in CO2 free systems [up to 44 and 54 % at pH 7.2 (17.3 μmol/g Fe) and 8.3 (54.8 μmol/g Fe), respectively] compared to 400 ppm CO2 systems, presumably due to differences in aqueous U(VI) speciation. While pH affects the amount of Fe(II) uptake onto the solid phase, with greater Fe(II) uptake at higher pH, similar amounts of U(VI) reduction were observed at pH 7.2 and 8.3 for a similar Fe(II) uptake. Thus, it appears that abiotic U(VI) reduction is controlled primarily by Fe(II) concentration and aqueous U(VI) speciation. The range of Fe(II) loadings tested in this study are within the range observed in bioreduced sediments, suggesting that Fe(II)-mediated abiotic U(VI) reduction may indeed play a role in field settings.

  11. Microbial Reduction of Uranium under Iron- and Sulfate-reducing Conditions: Effect of Amended Goethite on Microbial Community Composition and Dynamics

    SciTech Connect

    Moon, Hee Sun; McGuinness, L.; Kukkadapu, Ravi K.; Peacock, Aaron D.; Komlos, John; Kerkhoff, Lee; Long, Philip E.; Jaffe, Peter R.

    2010-07-01

    There is a growing need for a better understanding of the biogeochemical dynamics involved in microbial U(VI) reduction due to an increasing interest in using biostimulation via electron donor addition as a means to remediate uranium contaminated sites. U(VI) reduction has been observed to be maximized during iron reducing conditions and to decrease upon commencement of sulfate reducing conditions. There are many unknowns regarding the impact of iron/sulfate biogeochemistry on U(VI) reduction. This includes Fe(III) availability as well as the microbial community changes, including the activity of iron-reducers during the uranium biostimulation period even after the onset of sulfate reduction. Up-flow column experiments were conducted with Old Rifle site sediments containing Fe-oxides, Fe-clays, and sulfate rich groundwater. Half of the columns had sediment that was augmented with small amounts of small-particle 57Fe-goethite to track continuously minute goethite changes, and to study the effects of increased Fe(III) levels on the overall biostimulation dynamics. The addition of the 57Fe-goethite did not delay the onset of sulfate reduction, but slightly suppressed the overall rate of sulfate reduction and hence acetate utilization, it did not affect the bacterial numbers of Geobacter-like species throughout the experiment, but did lower the numbers of sulfate reducers in the sediments. 57Fe-Mössbauer analyses (a 57Fe-specific technique) confirmed that there was bioavailable iron present after the onset of sulfate reduction and that iron was still being reduced during sulfate reduction. Addition of the 57Fe-goethite to the sediment had a noticeable effect on the overall composition of the microbial population. 16S rRNA analyses of biostimulated sediment using TRFLP (terminal restriction fragment length polymorphism) showed that Geobacter sp. (a known Fe-reducer) was still active and replicating during the period of significant sulfate reduction. DNA fingerprints of

  12. Copper stable isotopes as tracers of metal-sulphide segregation and fractional crystallisation processes on iron meteorite parent bodies

    NASA Astrophysics Data System (ADS)

    Williams, Helen M.; Archer, Corey

    2011-06-01

    We report high precision Cu isotope data coupled with Cu concentration measurements for metal, troilite and silicate fractions separated from magmatic and non-magmatic iron meteorites, analysed for Fe isotopes (δ 57Fe; permil deviation in 57Fe/ 54Fe relative to the pure iron standard IRMM-014) in an earlier study ( Williams et al., 2006). The Cu isotope compositions (δ 65Cu; permil deviation in 65Cu/ 63Cu relative to the pure copper standard NIST 976) of both metals (δ 65Cu M) and sulphides (δ 65Cu FeS) span much wider ranges (-9.30 to 0.99‰ and -8.90 to 0.63‰, respectively) than reported previously. Metal-troilite fractionation factors (Δ 65Cu M-FeS = δ 65Cu M - δ 65Cu FeS) are variable, ranging from -0.07 to 5.28‰, and cannot be explained by equilibrium stable isotope fractionation coupled with either mixing or reservoir effects, i.e. differences in the relative proportions of metal and sulphide in the meteorites. Strong negative correlations exist between troilite Cu and Fe (δ 57Fe FeS) isotope compositions and between metal-troilite Cu and Fe (Δ 57Fe M-FeS) isotope fractionation factors, for both magmatic and non-magmatic irons, which suggests that similar processes control isotopic variations in both systems. Clear linear arrays between δ 65Cu FeS and δ 57Fe FeS and calculated Cu metal-sulphide partition coefficients (D Cu = [Cu] metal/[Cu] FeS) are also present. A strong negative correlation exists between Δ 57Fe M-FeS and D Cu; a more diffuse positive array is defined by Δ 65Cu M-FeS and D Cu. The value of D Cu can be used to approximate the degree of Cu concentration equilibrium as experimental studies constrain the range of D Cu between Fe metal and FeS at equilibrium to be in the range of 0.05-0.2; D Cu values for the magmatic and non-magmatic irons studied here range from 0.34 to 1.11 and from 0.04 to 0.87, respectively. The irons with low D Cu values (closer to Cu concentration equilibrium) display the largest Δ 57Fe M-FeS and the

  13. Zeolite supported iron-cobalt catalysts for the Fischer-Tropsch synthesis

    SciTech Connect

    Lin, T.

    1984-01-01

    A series of Fe, Co, FeCo catalysts on Y and ZSM-5 supports, prepared by impregnation and ion exchange, has been investigated. Characterization methods utilized were x-ray diffraction, H{sub 2}/CO chemisorption, Moessbauer spectroscopy, and atomic absorption. A differential reactor and as chromatographs were also employed to analyze the reaction activity and product selectivity. (i) Y supported catalysts: The oxidation, reduction, and carburization behavior of the iron-containing catalysts were observed via Moessbauer spectra. The reversibility of FeY (ion exchange) in oxidation-reduction cycles was confirmed in this experiment. Furthermore, ion exchange catalysts (FeY, FeCoY) do not show any iron metal, alloy or carbide phase after reduction or carburization. In contrast to silica supported catalysts, FeCo/HY (impregnated) reveals a Moessbauer spectra similar to Fe/HY. A 1/1 (CO/H{sub 2}) feed was used to investigate the Fischer-Tropsch reaction at 1 atm, 250{degree}C. (ii) ZSM-5 supported catalysts: Moessbauer results indicate similar patterns for impregnated and ion-exchanged catalysts, and reaction studies reveal similar catalytic behavior for the two preparation methods. This is in contrast to the rather widely different properties of these metals resulting from impregnation or ion exchange on Y zeolite. In generation, the ZSM-5 supported metals produce higher activity and selectivity for high molecular weight materials, and are particularly identified with significant aromatic content in the production distribution.

  14. Mössbauer study of conductive oxide glass

    SciTech Connect

    Matsuda, Koken; Kubuki, Shiro; Nishida, Tetsuaki

    2014-10-27

    Heat treatment of barium iron vanadate glass, BaO‐Fe{sub 2}O{sub 3}‐V{sub 2}O{sub 5}, at temperatures higher than crystallization temperature causes a marked decrease in resistivity (ρ) from several MΩcm to several Ωcm. {sup 57}Fe Mössbauer spectrum of heat-treated vanadate glass shows a marked decrease in quadrupole splitting (Δ) of Fe{sup III}, reflecting a structural relaxation, i.e., an increased symmetry of 'distorted' FeO{sub 4} and VO{sub 4} tetrahedra which are connected to each other by sharing corner oxygen atoms. Structural relaxation of 3D-network of vanadate glass accompanies a decrease in the activation energy for the conduction, reflecting a decreased energy gap between the donor level and conduction band. A marked increase in the conductivity was observed in CuO- or Cu{sub 2}O-containing barium iron vanadate glass after heat treatment at 450 °C for 30 min or more. 'n-type semiconductor model combined with small polaron hopping theory' was proposed in order to explain the high conductivity.

  15. Mössbauer study of conductive oxide glass

    NASA Astrophysics Data System (ADS)

    Matsuda, Koken; Kubuki, Shiro; Nishida, Tetsuaki

    2014-10-01

    Heat treatment of barium iron vanadate glass, BaO - Fe2O3- V2O5, at temperatures higher than crystallization temperature causes a marked decrease in resistivity (ρ) from several MΩcm to several Ωcm. 57Fe Mössbauer spectrum of heat-treated vanadate glass shows a marked decrease in quadrupole splitting (Δ) of FeIII, reflecting a structural relaxation, i.e., an increased symmetry of "distorted" FeO4 and VO4 tetrahedra which are connected to each other by sharing corner oxygen atoms. Structural relaxation of 3D-network of vanadate glass accompanies a decrease in the activation energy for the conduction, reflecting a decreased energy gap between the donor level and conduction band. A marked increase in the conductivity was observed in CuO- or Cu2O -containing barium iron vanadate glass after heat treatment at 450 °C for 30 min or more. "n-type semiconductor model combined with small polaron hopping theory" was proposed in order to explain the high conductivity.

  16. RAPID COMMUNICATION: Studies of the magnetostriction of as-prepared and annealed glass-coated Co-rich amorphous microwires by SAMR method

    NASA Astrophysics Data System (ADS)

    Zhukova, V.; Blanco, J. M.; Zhukov, A.; Gonzalez, J.

    2001-11-01

    The saturation magnetostriction constant, λs, of as-prepared and current annealed glass-covered Co57Fe6.1Ni10B15.9Si11, Co67.5Fe4Ni1.5B14Si12Mo1, Co69.1Fe5.2Ni1B14.8Si9.9 and Co69.5Fe3.9Ni1B12.8Si10.8Mo2 amorphous microwires has been measured by the small angle magnetization rotation method. As-prepared samples exhibit negative λs ranging between -0.9×10-6 and -0.3×10-6. Current annealing results in a significant change of λs, that is, a general tendency to increase towards zero.

  17. Mössbauer study of metallic iron and iron oxide nanoparticles having environmental purifying ability

    SciTech Connect

    Kubuki, Shiro Watanabe, Yuka Akiyama, Kazuhiko; Ristić, Mira; Krehula, Stjepko; Homonnay, Zoltán; Kuzmann, Ernő; Nishida, Tetsuaki

    2014-10-27

    A relationship between local structure and methylene blue (MB) decomposing ability of nanoparticles (NPs) of metallic iron (Fe{sup 0}) and maghemite (γ‐Fe{sub 2}O{sub 3}) was investigated by {sup 57}Fe Mössbauer spectroscopy, X-ray diffractometry and UV-visible light absorption spectroscopy. γ‐Fe{sub 2}O{sub 3} NPs were successfully prepared by mixing (NH{sub 4}){sub 2}Fe(SO{sub 4}){sub 2}⋅6H{sub 2}O (Mohr's salt) and (NH{sub 4}){sub 3}Fe(C{sub 2}O{sub 4}){sub 3}⋅3H{sub 2}O aqueous solution at 30 °C for 1 h, while those of Fe{sup 0} were obtained by the reduction of Mohr's salt with NaBH{sub 4}. From the Scherrer's equation, the smallest crystallite sizes of γ‐Fe{sub 2}O{sub 3} NPs and Fe{sup 0} NPs were determined to be 9.7 and 1.5 nm, respectively. {sup 57}Fe Mössbauer spectrum of γ‐Fe{sub 2}O{sub 3} NPs consists of a relaxed sextet with isomer shift (δ) of 0.33{sub ±0.01} mm s{sup −1}, internal magnetic field (H{sub int}) of 25.8{sub ±0.5} T, and linewidth (Γ) of 0.62{sub ±0.04} mm s{sup −1}. {sup 57}Fe Mössbauer spectrum of Fe{sup 0} NP is mainly composed of a sextet having δ, Δ, and H{sub int} of 0.00{sub ±0.01} mm s{sup −1} 0.45{sub ±0.01} mm s{sup −1}, and 22.8{sub ±0.1} T, respectively. A bleaching test of the mixture of Fe{sup 0} and γ‐Fe{sub 2}O{sub 3} NPs (3:7 ratio, 100 mg) in MB aqueous solution (20 mL) for 6 h showed a remarkable decrease of MB concentration with the first-order rate constant (k{sub MB}) of 6.7 × 10{sup −1} h{sup −1}. This value is larger than that obtained for the bleaching test using bulk Fe{sup 0}+γ‐Fe{sub 2}O{sub 3} (3:7) mixture (k{sub MB} = 6.5×10{sup −3}h{sup −1}). These results prove that MB decomposing ability is enhanced by the NPs mixture of Fe{sub 0} and γ‐Fe{sub 2}O{sub 3}.

  18. BiMnFe(2)O(6) a Polysynthetically Twinned hcp MO Structure

    SciTech Connect

    T Yang; A Abakumov; J Hadermann; G Van Tendeloo; I Nowik; P Stephens; J Hemberger; A Tsirlin; K Ramanujachary; et al.

    2011-12-31

    The most efficient use of spatial volume and the lowest potential energies in the metal oxide structures are based on cubic close packing (ccp) or hexagonal close packing (hcp) of anions with cations occupying the interstices. A promising way to tune the composition of close packed oxides and design new compounds is related to fragmenting the parent structure into modules by periodically spaced planar interfaces, such as twin planes at the unit cell scale. The unique crystal chemistry properties of cations with a lone electron pair, such as Bi{sup 3+} or Pb{sup 2+}, when located at interfaces, enables them to act as 'chemical scissors', to help relieve configurational strain. With this approach, we synthesized a new oxide, BiMnFe{sub 2}O{sub 6}, where fragments of the hypothetical hcp oxygen-based MO structure (the NiAs structure type), for the first time, serve as the building modules in a complex transition metal oxide. Mn{sup 3+} and Fe{sup 3+} ions are randomly distributed in two crystallographically independent sites (M1 and M2). The structure consists of quasi two-dimensional blocks of the 2H hexagonal close packed MO structure cut along the (114) crystal plane of the hcp lattice and stacked along the c axis. The blocks are related by a mirror operation that allows BiMnFe{sub 2}O{sub 6} to be considered as a polysynthetically twinned 2H hcp MO structure. The transition to an AFM state with an incommensurate spin configuration at {approx}212 K is established by {sup 57}Fe Moessbauer spectroscopy, magnetic susceptibility, specific heat and low temperature powder neutron diffraction.

  19. BiMnFe2O6 a Polysynthetically Twinned hcp MO Structure

    SciTech Connect

    T Yang; A Abakumov; J Hadermann; G Van Tendeloo; I Nowik; P Stephens; J Hemberger; M Croft; A Ignatov; et al.

    2011-12-31

    The most efficient use of spatial volume and the lowest potential energies in the metal oxide structures are based on cubic close packing (ccp) or hexagonal close packing (hcp) of anions with cations occupying the interstices. A promising way to tune the composition of close packed oxides and design new compounds is related to fragmenting the parent structure into modules by periodically spaced planar interfaces, such as twin planes at the unit cell scale. The unique crystal chemistry properties of cations with a lone electron pair, such as Bi{sup 3+} or Pb{sup 2+}, when located at interfaces, enables them to act as 'chemical scissors', to help relieve configurational strain. With this approach, we synthesized a new oxide, BiMnFe{sub 2}O{sub 6}, where fragments of the hypothetical hcp oxygen-based MO structure (the NiAs structure type), for the first time, serve as the building modules in a complex transition metal oxide. Mn{sup 3+} and Fe{sup 3+} ions are randomly distributed in two crystallographically independent sites (M1 and M2). The structure consists of quasi two-dimensional blocks of the 2H hexagonal close packed MO structure cut along the (114) crystal plane of the hcp lattice and stacked along the c axis. The blocks are related by a mirror operation that allows BiMnFe{sub 2}O{sub 6} to be considered as a polysynthetically twinned 2H hcp MO structure. The transition to an AFM state with an incommensurate spin configuration at {approx}212 K is established by {sup 57}Fe Moessbauer spectroscopy, magnetic susceptibility, specific heat and low temperature powder neutron diffraction.

  20. Structural, magnetic and Mössbauer studies of (BiFeO3)0.7-(SrFe12O19)0.3 nanocomposite prepared by a sol-gel route

    NASA Astrophysics Data System (ADS)

    Das, A.; Roychowdhury, A.; Pati, S. P.; Bandyopadhyay, S.; Das, D.

    2014-04-01

    The nanocomposite (BiFeO3)0.7-(SrFe12O19)0.3 has been prepared by a sol-gel route and characterized by XRD, TEM, TGA/DTA, dc magnetization and 57Fe Mössbauer spectroscopy. The hyperfine parameters obtained from Mössbauer spectroscopy indicate formation of pure hexaferrite phase of SrFe12O19 (SRF) in the nanocomposite (NC). The NC exhibits typical hysteresis loops with significantly altered magnetization parameters (saturation magnetization, coercivity and remnant magnetization) in comparison with that of the pristine SRF and BiFeO3 (BFO) nanoparticles (NPs). The ZFC-FC curves show a divergence in low temperature region which confirms the irreversible character of magnetization.

  1. Erythrocyte incorporation of iron by infants: iron bioavailability from a low-iron infant formula and an evaluation of the usefulness of correcting erythrocyte incorporation values, using a reference dose or plasma ferritin concentrations.

    PubMed

    Davidsson, L; Ziegler, E E; Kastenmayer, P; Hurrell, R F

    2000-12-01

    Bioavailability of iron (Fe) from a low-Fe infant formula was determined by erythrocyte incorporation of 58Fe 14 d after administration in ten healthy, non-Fe-deficient infants. Two feeding protocols were compared, with each infant acting as his/her own control. At 140 and 154 d of age, infants were fed 1000 g of 58Fe-labelled formula (1.44 mg total Fe/1000 g) as six feeds over 24 h (Protocol A) or as two feeds/day on three consecutive days (Protocol B). A water solution with 57Fe and ascorbic acid was given separately as a reference dose in both study protocols. Erythrocyte incorporation of 58Fe and 57Fe was determined by thermal ionisation mass spectrometry. Geometric mean 58Fe incorporation was 7.6% (range 3.3-13.5%) with Protocol A as compared to 10.6% (range 6.7-18.6%) with Protocol B (P = 0.05); paired t test. Inter-individual variability of 58Fe was not reduced by correcting for the incorporation of 57Fe from the reference dose, or by correcting for plasma ferritin concentration. Fractional erythrocyte incorporation of Fe from low-Fe infant formula was in the same range as our earlier published data on erythrocyte incorporation of Fe from human milk extrinsically labelled with 58Fe (Davidsson et al. 1994a). The methodological evaluations included in this study clearly indicate the importance of using standardised study protocols when evaluating Fe bioavailability in infants. Corrections of erythrocyte incorporation data based on plasma ferritin or erythrocyte incorporation of Fe from a reference dose were not found to be useful.

  2. Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution.

    PubMed

    Liu, Yuesheng; Luo, Lun; Xiao, Jie; Wang, Lei; Song, You; Qu, Jingping; Luo, Yi; Deng, Liang

    2015-05-18

    The salt elimination reactions of (IPr2Me2)2FeCl2 (IPr2Me2 = 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene) with the corresponding aryl Grignard reagents afford [(IPr2Me2)2FeAr2] (Ar = Ph, 3; C6H4-p-Me, 4; C6H4-p-(t)Bu, 5; C6H3-3,5-(CF3)2, 6) in good yields. X-ray crystallographic studies revealed the presence of both tetrahedral and trans square planar isomers for 3 and 6 and the tetrahedral structures for 4 and 5. Magnetic susceptibility and (57)Fe Mössbauer spectrum measurements on the solid samples indicated the high-spin (S = 2) and intermediate-spin (S = 1) nature of the tetrahedral and square planar structures, respectively. Solution property studies, including solution magnetic susceptibility measurement, variable-temperature (1)H and (19)F NMR, and absorption spectroscopy, on 3-6, as well as an (57)Fe Mössbauer spectrum study on a frozen tetrahydrofuran solution of tetrahedral [(IPr2Me2)2(57)FePh2] suggest the coexistence of tetrahedral and trans square planar structures in solution phase. Density functional theory calculations on (IPr2Me2)2FePh2 disclosed that the tetrahedral and trans square planar isomers are close in energy and that the geometry isomerization can occur by spin-change-coupled geometric transformation on four-coordinate iron(II) center. PMID:25822256

  3. Crystal structure and Mössbauer studies of the isotypic Fe{sub 6}-cluster compounds RE{sub 15}[Fe{sub 8}C{sub 25}], RE=Dy, Ho

    SciTech Connect

    Davaasuren, Bambar; Dashjav, Enkhtsetseg; Kreiner, Guido; Borrmann, Horst; Weber, Sven-Ulf; Becker, Klaus-Dieter; Jochen Litterst, Fred; Kniep, Rüdiger

    2015-05-15

    The carboferrates RE{sub 15}[Fe{sub 8}C{sub 25}] (RE=Dy, Ho) were prepared from mixtures of the elements by arc-melting followed with subsequent annealing at 1373 K. The crystal structures were determined from single crystal X-ray diffraction data and revealed an isotypic relationship to Er{sub 15}[Fe{sub 8}C{sub 25}] (hP48, P321). The main feature of the crystal structure is given by Fe{sub 6} cluster units characterized by covalent Fe–Fe bonding interactions. {sup 57}Fe Mössbauer spectra of Dy{sub 15}[Fe{sub 8}C{sub 25}] were fitted by three subspectra with relative spectral weights of about 3:3:2 which is in general agreement with the crystal structure. Below 50 K, an onset of magnetic hyperfine fields at the three iron sites is observed which is supposed to be caused by dipolar fields arising from neighboring, slowly relaxing Dy magnetic moments. - Graphical abstract: Fe{sub 6}-cluster in the crystal structure of RE{sub 15}[Fe{sub 8}C{sub 25}], RE=Dy, Ho. - Highlights: • New carboferrates RE{sub 15}[Fe{sub 8}C{sub 25}] with RE=Dy, Ho have been synthesized. • The crystal structures were refined using single crystal X-ray data. • An orientational relationship between Fe{sub 6}-clusters and Fe in γ-Fe is outlined. • {sup 57}Fe Mössbauer spectra are in agreement with structural data from X-rays. • Magnetic hyperfine fields below 50 K are explained by dipolar fields from Dy atoms.

  4. Anion ordering, magnetic structure and properties of the vacancy ordered perovskite Ba3Fe3O7F

    NASA Astrophysics Data System (ADS)

    Clemens, Oliver; Reitz, Christian; Witte, Ralf; Kruk, Robert; Smith, Ronald I.

    2016-11-01

    This article describes a detailed investigation of the crystallographic and magnetic structure of perovskite type Ba3Fe3O7F by a combined analysis of X-ray and neutron powder diffraction data. Complete ordering of vacancies within the perovskite lattice could be confirmed. In addition, the structure of the anion sublattice was studied by means of the valence bond method, which suggested partial ordering of the fluoride ions on two of the six crystallographically different anion sites. Moreover, the compound was found to show G-type antiferromagnetic ordering of Fe moments, in agreement with magnetometric measurements as well as previously recorded 57Fe Mössbauer spectroscopy data.

  5. Generation of superparamagnetism in metallic α-iron by swift heavy ion irradiation

    NASA Astrophysics Data System (ADS)

    Kuzmann, E.; Stichleutner, S.; Homonnay, Z.; Havancsák, K.; Chisholm, C. U.; El-Sharif, M.; Skuratov, V. A.; Nakanishi, A.; Nomura, K.

    2016-10-01

    57Fe conversion electron Mössbauer spectroscopy was used to study the effect of swift heavy ion irradiation on electrochemically deposited metallic pure α-iron. We succeeded in preparing superparamagnetic iron by irradiating the electrochemically prepared thin α-iron films using 247 MeV Kr ions with a fluence of 1×1013 ion cm-2 which converted 50% of crystalline α-iron into amorphous and superparamagnetic phases, the latter being >20%. The results are discussed in terms of the thermal spike model for the formation of the amorphous phase which could be essential for the formation of superparamagnetic iron.

  6. Mössbauer Study of Electrodeposited Fe/Fe-Oxide Multilayers

    NASA Astrophysics Data System (ADS)

    Kuzmann, E.; Lakatos-Varsányi, M.; Varga, L. K.; Mikó, A.; Kálmán, E.; Homonnay, Z.; Klencsár, Z.; Nagy, F.; Vértes, A.

    2005-04-01

    Iron has been deposited electrochemically by short current pulses in Na-saccharin containing FeII-chloride and sulphate solution electrolytes. Combined electrochemical techniques with initial pulse plating of iron nanolayer and its subsequent anodic oxidation under potential control have been used for production of Fe/Fe-oxide multilayers. 57Fe CEM spectra of pulse plated iron revealed the presence of a minor doublet attributed mainly to γ-FeOOH in addition to the dominant sextet of α-iron. In the case of anodically oxidized pulse plated iron and of samples after repeated deposition of anodically oxidized pulse plated iron an additional minor doublet, assigned to ferrous chloride, also appears in the Mössbauer spectra. A significant change in the magnetic anisotropy of α-iron was observed with the anodic oxidation. The thickness of the layers were estimated from the CEM spectrum data by a modified computer program of the Liljequist method. The coercive field and the power loss versus frequency data showed that the pulse plated iron cores are good inductive elements up to several kHz frequencies.

  7. Atom exchange between aqueous Fe(II) and goethite: an Fe isotope tracer study.

    PubMed

    Handler, Robert M; Beard, Brian L; Johnson, Clark M; Scherer, Michelle M

    2009-02-15

    The reaction of aqueous Fe(II) with Fe(III) oxides is a complex process, comprising sorption, electron transfer, and in some cases, reductive dissolution and transformation to secondary minerals. To better understand the dynamics of these reactions, we measured the extent and rate of Fe isotope exchange between aqueous Fe(II) and goethite using a 57Fe isotope tracer approach. We observed near-complete exchange of Fe atoms between the aqueous phase and goethite nanorods over a 30-day time period. Despite direct isotopic evidence for extensive mixing between the aqueous and goethite Fe, no phase transformation was observed, nor did the size or shape of the goethite rods change appreciably. High-resolution transmission electron microscopy images, however, appear to indicate that some recrystallization of the goethite particles may have occurred. Near-complete exchange of Fe between aqueous Fe(II) and goethite, coupled with negligible change in the goethite mineralogy and morphology, suggests a mechanism of coupled growth (via sorption and electron transfer) and dissolution at separate crystallographic goethite sites. We propose that sorption and dissolution sites are linked via conduction through the bulk crystal, as was recently demonstrated for hematite. Extensive mixing between aqueous Fe(II) and goethite, a relatively stable iron oxide, has significant implications for heavy metal sequestration and release (e.g., arsenic and uranium), as well as reduction of soil and groundwater contaminants.

  8. Changes in Phase Composition of NaAlH{sub 4}+FeCl{sub 2} Complex Hydride Exposed to Air

    SciTech Connect

    Roupcova, P.; Schneeweiss, O.

    2010-07-13

    Phase composition in AlNaH{sub 4} doped with FeCl{sub 2} was studied by Moessbauer spectroscopy and X-ray diffraction and stabilities in Ar and air were compared. The results show that the hydride disappeared during the exposition to air. The major sodium alanate hydride traps gaseous impurities and transforms to Na{sub 2}CO{sub 3} and Al(OH){sub 3}.

  9. Superparamagnetic Particle Size Limit of Mn-Zn Ferrite Nanoparticles Synthesised Through Aqueous Method

    SciTech Connect

    Joseyphus, R. Justin; Narayanasamy, A.; Jeyadevan, B.; Shinoda, K.; Tohji, K.

    2006-05-15

    Mn0.67Zn0.33Fe2O4 nanoparticles with size ranging from 20 to 80 nm have been synthesized using the modified oxidation method. The Curie temperatures for all the samples are found to be within 630 {+-} 5 K suggesting that there is no size-dependent cation distribution. Moessbauer studies on the synthesized nanoparticles suggest that the critical particle size limit for superparamagnetism to be about 25 nm at 293 K.

  10. Growth of Ferrite Needles in Compacted Graphite Cast Iron

    SciTech Connect

    Duran, G.A.; Mercader, R.C.; Desimoni, J.; Perez, T.; Gregorutti, R.W.

    2005-04-26

    The austempering kinetics transformation of compacted graphite cast irons austempered at 623K is studied. The length (l) and the number per unit volume (N) of ferrite needles were followed by Scanning Electron Microscopy (SEM), while Moessbauer spectroscopy (MS) was used to determine the austenite relative areas. The SEM results are compared with theoretical calculations available in the literature and indicate that the diffusion of C atoms in austenite controls the transformation, confirming the indirect MS determinations.

  11. Letter - X-ray diffraction and Mossbauer spectroscopy of Fe{sup 3+}-bearing Mg-silicate post-perovskite at 128-138 GPa.

    SciTech Connect

    Catalli, K.; Shim, S. H.; Prakapenka, V. B.; Zhao, J.; Sturhahn, W.

    2010-01-01

    The effect of ferric iron on the properties of Mg-silicate post-perovskite (PPv) were studied up to 138 GPa using synchrotron X-ray diffraction and Moessbauer spectroscopy. Our diffraction measurements revealed that the incorporation of Fe{sup 3+} has virtually no effect on the volume of PPv, in contrast to Fe{sup 2+}, which increases the volume. Therefore, incorporation of Fe{sup 3+} increases the density of PPv much more effectively than Fe{sup 2+}. Moessbauer spectroscopy suggests that Fe{sup 3+} enters PPv through charge-coupled substitution and is high spin in the bipolar prismatic site and low spin in the octahedral site (i.e., mixed spin state). Our results may have important implications for the gravitational stability of lower-mantle heterogeneities.

  12. Spectral chemistry of green glass-bearing 15426 regolith

    NASA Technical Reports Server (NTRS)

    Burns, R. G.; Dyar, M. D.

    1983-01-01

    The detection of appreciable concentrations of ferric iron in a synthetic green glass equilibrated at an oxygen fugacity of 10 to the -11th atm prompted a Moessbauer spectral study of pristine emerald-green glass spherules carefully handpicked from regolith sample 15426. No Fe(3+) ions were detected in this lunar sample or in a synthetic green glass simulant equilibrated at fO2 = 10 to the -14th atm, suggesting that the green glass clods in rock 15426 formed under conditions of correspondingly low oxygen fugacities. The Moessbauer spectra indicated the presence of olivine crystallites in the lunar emerald green glass spherules. Measurements of homogeneous and partially devitrified synthetic silicate glasses revealed that significant changes of coordination environment about Fe(2+) ions in the glass structure occur during crystallization of olivine crystals from the melt.

  13. A Moessbauer spectrometer for the mineralogical analysis of the Mars surface: First temperature dependent tests of the detector and drive system

    NASA Technical Reports Server (NTRS)

    Held, P.; Teucher, R.; Klingelhoefer, G.; Foh, J.; Jaeger, H.; Kankeleit, E.

    1993-01-01

    Part of the scientific payload of the Mars-96 mission is a Fe-(57)Mossbauer (MB) spectrometer installed on a small rover to be placed on the surface of Mars. The instrument is under development at the University of Darmstadt. This instrument, with some modifications, is also included in the scientific payload of the proposed MARSNET mission of the European Space Agency (ESA). A similar instrument is currently under development in the US. The reason for developing a Mossbauer spectrometer for space applications is the high abundance of the element iron, especially on the surface of Mars. The elemental composition of Martian soil was determined during the Viking mission in 1976 but not it's mineralogical composition. One believes that it is composed mainly of iron-rich clay minerals, with an iron content of about 14 (plus or minus 2) wt-percent, partly magnetic. Of extremely great interest are the oxidation state of the iron, the magnetic phases and the mineral composition of the Mars surface. To these questions MB spectroscopy can provide important information, which are not available by other methods. We report on first tests of the experimental setup in the temperature range plus 20 C to -70 C, roughly corresponding to the temperature range on the surface of Mars. Also questions concerning the signal/noise ratio (S/N) are discussed.

  14. In Situ Resource Utilization (ISRU) on the Moon: Moessbauer Spectroscopy as a Process Monitor for Oxygen Production. Results from a Field Test on Mauna Kea Volcano, Hawaii

    NASA Technical Reports Server (NTRS)

    Morris, R.V.; Schroder, C.; Graff, T.G.; Sanders, G.B.; Lee, K.A.; Simon, T.M.; Larson, W.E.; Quinn, J.W.; Clark, L.D.; Caruso, J.J.

    2009-01-01

    Essential consumables like oxygen must to be produced from materials on the lunar surface to enable a sustained, long-term presence of humans on the Moon. The Outpost Precursor for ISRU and Modular Architecture (OPTIMA) field test on Mauna Kea, Hawaii, facilitated by the Pacific International Space Center for Exploration Systems (PISCES) of the University of Hawaii at Hilo, was designed to test the implementation of three hardware concepts to extract oxygen from the lunar regolith: Precursor ISRU Lunar Oxygen Testbed (PILOT) developed by Lockheed Martin in Littleton, CO; Regolith & Environmental Science and Oxygen & Lunar Volatiles Extraction (RESOLVE) developed at the NASA Kennedy Space Center in Cape Canaveral, FL; and ROxygen developed at the NASA Johnson Space Center in Houston, TX. The three concepts differ in design, but all rely on the same general principle: hydrogen reduction of metal cations (primarily Fe2+) bonded to oxygen to metal (e.g., Fe0) with the production of water. The hydrogen source is residual hydrogen in the fuel tanks of lunar landers. Electrolysis of the water produces oxygen and hydrogen (which is recycled). We used the miniaturized M ssbauer spectrometer MIMOS II to quantify the yield of this process on the basis of the quantity of Fe0 produced. Iron M ssbauer spectroscopy identifies iron-bearing phases, determines iron oxidation states, and quantifies the distribution of iron between mineral phases and oxidation states. The oxygen yield can be calculated by quantitative measurements of the distribution of Fe among oxidation states in the regolith before and after hydrogen reduction. A M ssbauer spectrometer can also be used as a prospecting tool to select the optimum feedstock for the oxygen production plants (e.g., high total Fe content and easily reduced phases). As a demonstration, a MIMOS II backscatter spectrometer (SPESI, Germany) was mounted on the Cratos rover (NASA Glenn Research Center in Cleveland, OH), which is one of several rover concepts designed to excavate and transfer regolith to the stationary hydrogen reduction plants. Spaceflight versions of the MIMOS II are part of the instrument payloads of NASA s Mars Exploration Rovers and still operating five years after landing on the surface of the planet. MIMOS II was also selected for Phobos-Grunt, a Russian sample return mission to the martian moon Phobos scheduled to launch in 2009, and ESA s ExoMars rover, an exobiology mission scheduled to launch in 2013. An advanced version of the instrument is currently under development. A new detector system with a higher energy resolution will not only reduce the necessary measurement time considerably, but also allow the simultaneous acquisition of an X-ray fluorescence spectrum to determine the elemental composition of samples.

  15. Measurement of hair iron concentration as a marker of body iron content

    PubMed Central

    SAHIN, CEM; PALA, CIGDEM; KAYNAR, LEYLAGUL; TORUN, YASEMIN ALTUNER; CETIN, AYSUN; KURNAZ, FATIH; SIVGIN, SERDAR; SAHIN, FATIH SERDAR

    2015-01-01

    The aim of the present study was to define the possible association between blood parameters and hair iron concentration in patient groups showing a difference in body iron content. The study population comprised subjects with iron deficiency anaemia and transfusion-related anaemia with different body iron contents and a healthy control group. All the cases included in the study were examined with respect to hair iron concentration, serum iron, total iron-binding capacity (TIBC), transferrin saturation and erythrocyte markers in the total blood count with ferritin values. Differences in hair iron concentration were evaluated between the groups. Correlation analysis was applied to define the association between the laboratory values used as markers of body iron content and hair iron concentration. A statistically significant difference was determined in hair iron 56Fe and 57Fe concentrations between the group with transfusion-related anaemia, the iron deficiency anaemia group and the healthy control group (P<0.001). In addition, a positive correlation was determined between hair iron 56Fe and 57Fe concentrations and serum iron, ferritin level, transferrin saturation, mean erythrocyte volume and mean erythrocyte haemoglobin values and a negative correlation with TIBC. In conclusion, the results of the present study showed a statistically significant difference in the hair iron concentrations of the patient groups with different body iron content and these values were correlated to the laboratory markers of body iron content. PMID:26137241

  16. A Study of the Magnetic and Thermal Properties of Ln

    SciTech Connect

    Harada, Daijitsu; Hinatsu, Yukio

    2001-05-01

    Crystal structures, and magnetic, electric, and thermal properties of fluorite related compounds Ln{sub 3}RuO{sub 7} (Ln=Sm, Eu) have been investigated. For Eu{sub 3}RuO{sub 7}, a magnetic transition due to Ru{sup 5+} ions is found at T{sub N}=22.5 K on the susceptibility-temperature curve. Specific heat measurements also exhibit a {lambda}-type anomaly at the same temperature. The Moessbauer spectrum measured at 10 K shows broadening of the line corresponding to magnetic splitting. For Sm{sub 3}RuO{sub 7}, two magnetic anomalies have been observed at 10.5 and 22.5 K from its magnetic susceptibility measurements. Below 22.5 K Ru{sup 5+} ions are antiferromagnetically coupled, and when the temperature is decreased through 10.5 K the ordering of Sm{sup 3+} ions occurs rapidly. Specific heat measurements show first-order transition peaks at T=280 and 190 K for Eu{sub 3}RuO{sub 7} and Sm{sub 3}RuO{sub 7}, respectively. T he results of magnetic susceptibility and electric resistivity measurements indicate that these transitions are structural phase transitions.

  17. Consortium study of the unusual H chondrite regolith breccia, Noblesville

    NASA Technical Reports Server (NTRS)

    Lipschutz, Michael E.; Wolf, Stephen F.; Vogt, Stephan; Michlovich, Edward; Lindstrom, Marilyn M.; Zolensky, Michael E.; Mittlefehldt, David W.; Satterwhite, Cecilia; Schultz, Ludolf; Loeken, Thomas

    1993-01-01

    The Noblesville meteorite is a genomict, regolith breccia (H6 clasts in H4 matrix). Moessbauer analysis confirms that Noblesville is unusually fresh, not surprising in view of its recovery immediately after its fall. It resembles 'normal' H4-6 chondrites in its chemical composition and induced thermoluminescence (TL) levels. Thus, at least in its contents of volatile trace elements, Noblesville differs from other H chondrite, class A regolith breccias. Noblesville's small pre-atmospheric mass and fall near solar maximum and/or its peculiar orbit (with perihelion less than 0.8 AU as shown by natural TL intensity) may partly explain its levels of cosmogenic radionuclides. Its cosmic ray exposure age of about 44 Ma is long, is equalled or exceeded by less than 3 percent of all H chondrites, and also differs from the 33 +/- 3 Ma mean exposure age peak of other H chondrite regolith breccias. While Noblesville is now among the chondritic regolithic breccias richest in solar gases, elemental ratios indicate some loss, especially of He, perhaps by impacts in the regolith that heated individual grains. While general shock-loading levels in Noblesville did not exceed 4 GPa, individual clasts record shock levels of 5-10 GPa, doubtless acquired prior to lithification of the whole-rock meteoroid.

  18. Biofeasibility Study.

    ERIC Educational Resources Information Center

    Chaparian, Michael

    1995-01-01

    Discusses the use of bioremediation as a method for disposing of contaminants by exploiting natural biodegradation processes. The process of conducting a biofeasibility study and a case study are reviewed. (LZ)

  19. Social Studies.

    ERIC Educational Resources Information Center

    Bieber, Edward

    The product of a Special Studies Institute, this teacher developed resource guide for the emotionally handicapped (K-6) presents social study concepts and activities relative to education in the urban out-of-doors. Focus is on the study of man (past, present, and future) interacting with his environment. Listed below are activity examples: (1)…

  20. Intelligence Studies

    ERIC Educational Resources Information Center

    Monaghan, Peter

    2009-01-01

    To make an academic study of matters inherently secret and potentially explosive seems a tall task. But a growing number of scholars are drawn to understanding spycraft. The interdisciplinary field of intelligence studies is mushrooming, as scholars trained in history, international studies, and political science examine such subjects as the…

  1. Antimony and silicon environments in antimony silicate glasses

    SciTech Connect

    Mee, M.; Davies, B.C.; Orman, R.G.; Thomas, M.F.; Holland, D.

    2010-09-15

    Antimony silicate glasses, of general formula xSb{sub 2}O{sub 3}.(1-x)SiO{sub 2} (0.1{<=}x{<=}0.78), have been prepared by melt-quenching and their structures studied using {sup 29}Si MAS NMR spectroscopy, {sup 121}Sb Moessbauer spectroscopy and Raman spectroscopy. Oxidation during melting gives rise to Sb{sup 5+} in concentrations, which increase linearly with x to give a value of {approx}10% when x=0.78. {sup 121}Sb Moessbauer spectra show Moessbauer shifts and quadrupole splittings consistent with Sb{sup 3+} in a [:SbO{sub 3}] trigonal pyramid, similar to that in crystalline Sb{sub 2}O{sub 3}. A broad band in the Raman spectrum at {approx}410 cm{sup -1} is due to the vibrations of such a unit. The dependence of the silicon Q{sup n} speciation on x can be interpreted by the formation of Sb-O-Sb links possibly to form rings of 4 [:SbO{sub 3}] units such as are found in valentinite. - Graphical abstract: Antimony silicate glasses have been shown to contain Sb{sup 3+} in [:SbO{sub 3}] trigonal pyramid units using {sup 121}Sb Moessbauer spectroscopy and Raman spectroscopy. {sup 29}Si magic-angle-spinning NMR has shown silicon Q{sup n} speciation which can be interpreted as formation of rings of 4 [:SbO{sub 3}] units such as are found in valentinite.

  2. Hexagonal ferrites of X-, W-, and M-type in the system Sr-Fe-O: A comparative study

    NASA Astrophysics Data System (ADS)

    Töpfer, Jörg; Seifert, Daniela; Le Breton, Jean-Marie; Langenhorst, Falko; Chlan, Vojtech; Kouřil, Karel; Štěpánková, Helena

    2015-03-01

    Three hexagonal ferrites from the Fe-rich part of the pseudo-binary system SrO-Fe2O3 were investigated. Besides the well-known M-type SrFe12O19 two other ferrites were found to exist at high temperatures: W-type SrFe22 + Fe163 + O27 and X-type Sr2 Fe22 + Fe283 + O46 ferrites. A detailed characterization of the X-type Sr-ferrite is reported here for the first time using XRD, HRTEM, magnetization measurements, Mössbauer and 57Fe NMR spectroscopies and ab initio calculations of the electronic structure. The results are compared to those of W- and M-type Sr ferrites. Mössbauer spectra were analyzed with six Fe contributions in the case of the X-type, seven Fe-sites for the W-type and five Fe sites for the M-type in agreement with crystal structure arrangements. Based on a detailed analysis of the NMR spectra in comparison with ab initio calculations the NMR lines were assigned to individual crystal sites. A preferential occupation of ferrous ions in the S blocks of the X- and W-type ferrites was elucidated from Mössbauer and NMR data as well as ab initio calculations.

  3. [Cohort studies].

    PubMed

    Mathis, Stefan; Gartlehner, Gerald

    2008-01-01

    This article about cohort studies is part of a methods series about study designs and their critical evaluation by the Ludwig Boltzmann Institute for Health Technology assessment. This article aims to describe the theoretical concept of cohort studies and their typical characteristics. Furthermore, it strives to highlight advantages and disadvantages of this study type and to make suggestions for the critical evaluation of the significance and validity of cohort studies. The article gives an account about characteristics due to the observational design and ways of acquiring control groups. Problems of blurring results by selection bias and confounding are also discussed. Cohort studies are applied in situations where the effects of environmental exposures are measured and rare side effects are identified but randomised controlled studies did not show significant results because of limitations. They are also used to assess the incidence of a disease or a condition.

  4. The Microscopic Magnetic Properties of W-type Hexaferrite Powder Prepared by A Sol-Gel Route

    SciTech Connect

    Jotania, Rajshree; Chauhan, Chetna; Sharma, Pooja

    2010-12-01

    Magnetic particles of W-type barium-calcium hexaferrite (BaCa{sub 2}Fe{sub 16}O{sub 27}) have been synthesized using a Stearic acid gel route. The gel precursors were dried at 100 deg. C for 2 hrs and then calcinated at 650 deg. C, 750 deg. C, 850 deg. C and 950 deg. C for 4 hrs in a furnace and slowly cooled to room temperature in order to obtain barium-calcium hexaferrite particles. The microscopic magnetic properties of prepared samples studying using Moessbauer spectroscopy. Moessbauer spectra of all samples were recorded at room temperature. Mossbauer parameters like Isomer shift, Quadruple splitting etc. were calculated with respect to iron foil. Barium calcium hexaferrite samples heated at 650 deg. C, 750 deg. C, 850 deg. C show relaxation type Moessbauer spectra along with paramagnetic doublet. The intensity of paramagnetic doublet increases with temperature confirm the presence of ferrous ions in the samples, where as sample calcinated at 950 deg. C confirm the presence of ferrimagnetic phase with partial super paramagnetic nature of prepared hexaferrite sample.

  5. Flooding impairs Fe uptake and distribution in Citrus due to the strong down-regulation of genes involved in Strategy I responses to Fe deficiency in roots.

    PubMed

    Martínez-Cuenca, Mary-Rus; Quiñones, Ana; Primo-Millo, Eduardo; Forner-Giner, M Ángeles

    2015-01-01

    This work determines the ffects of long-term anoxia conditions--21 days--on Strategy I responses to iron (Fe) deficiency in Citrus and its impact on Fe uptake and distribution. The study was carried out in Citrus aurantium L. seedlings grown under flooding conditions (S) and in both the presence (+Fe) and absence of Fe (-Fe) in nutritive solution. The results revealed a strong down-regulation (more than 65%) of genes HA1 and FRO2 coding for enzymes proton-ATPase and Ferric-Chelate Reductase (FC-R), respectively, in -FeS plants when compared with -Fe ones. H+-extrusion and FC-R activity analyses confirmed the genetic results, indicating that flooding stress markedly repressed acidification and reduction responses to Fe deficiency (3.1- and 2.0-fold, respectively). Waterlogging reduced by half Fe concentration in +FeS roots, which led to 30% up-regulation of Fe transporter IRT1, although this effect was unable to improve Fe absorption. Consequently, flooding inhibited 57Fe uptake in +Fe and -Fe seedlings (29.8 and 66.2%, respectively) and 57Fe distribution to aerial part (30.6 and 72.3%, respectively). This evidences that the synergistic action of both enzymes H+-ATPase and FC-R is the preferential regulator of the Fe acquisition system under flooding conditions and, hence, their inactivation implies a limiting factor of citrus in their Fe-deficiency tolerance in waterlogged soils. PMID:25897804

  6. Flooding impairs Fe uptake and distribution in Citrus due to the strong down-regulation of genes involved in Strategy I responses to Fe deficiency in roots.

    PubMed

    Martínez-Cuenca, Mary-Rus; Quiñones, Ana; Primo-Millo, Eduardo; Forner-Giner, M Ángeles

    2015-01-01

    This work determines the ffects of long-term anoxia conditions--21 days--on Strategy I responses to iron (Fe) deficiency in Citrus and its impact on Fe uptake and distribution. The study was carried out in Citrus aurantium L. seedlings grown under flooding conditions (S) and in both the presence (+Fe) and absence of Fe (-Fe) in nutritive solution. The results revealed a strong down-regulation (more than 65%) of genes HA1 and FRO2 coding for enzymes proton-ATPase and Ferric-Chelate Reductase (FC-R), respectively, in -FeS plants when compared with -Fe ones. H+-extrusion and FC-R activity analyses confirmed the genetic results, indicating that flooding stress markedly repressed acidification and reduction responses to Fe deficiency (3.1- and 2.0-fold, respectively). Waterlogging reduced by half Fe concentration in +FeS roots, which led to 30% up-regulation of Fe transporter IRT1, although this effect was unable to improve Fe absorption. Consequently, flooding inhibited 57Fe uptake in +Fe and -Fe seedlings (29.8 and 66.2%, respectively) and 57Fe distribution to aerial part (30.6 and 72.3%, respectively). This evidences that the synergistic action of both enzymes H+-ATPase and FC-R is the preferential regulator of the Fe acquisition system under flooding conditions and, hence, their inactivation implies a limiting factor of citrus in their Fe-deficiency tolerance in waterlogged soils.

  7. Hepcidin is the major predictor of erythrocyte iron incorporation in anemic African children

    PubMed Central

    Doherty, Conor P.; Abrams, Steven A.; Cox, Sharon E.; Atkinson, Sarah H.; Verhoef, Hans; Armitage, Andrew E.; Drakesmith, Hal

    2012-01-01

    Iron supplementation strategies in the developing world remain controversial because of fears of exacerbating prevalent infectious diseases. Understanding the conditions in which iron will be absorbed and incorporated into erythrocytes is therefore important. We studied Gambian children with either postmalarial or nonmalarial anemia, who were given oral iron supplements daily for 30 days. Supplements administered on days 1 and 15 contained the stable iron isotopes 57Fe and 58Fe, respectively, and erythrocyte incorporation was measured in blood samples drawn 14 days later. We investigated how the iron-regulatory hormone hepcidin and other inflammatory/iron-related indices, all measured on the day of isotope administration, correlated with erythrocyte iron incorporation. In univariate analyses, hepcidin, ferritin, C-reactive protein, and soluble transferrin receptor (sTfR) strongly predicted incorporation of 57Fe given on day 1, while hepcidin, ferritin, and sTfR/log ferritin correlated with 58Fe incorporation. In a final multivariate model, the most consistent predictor of erythrocyte isotope incorporation was hepcidin. We conclude that under conditions of competing signals (anemia, iron deficiency, and infection), hepcidin powerfully controls use of dietary iron. We suggest that low-cost point-of-care hepcidin assays would aid iron supplementation programs in the developing world. PMID:22228627

  8. (p,α) Reaction Cross Sections Calculations of Fe and Ni Target Nuclei Using New Developed Semi-empirical Formula

    NASA Astrophysics Data System (ADS)

    Tel, E.; Akca, S.; Kara, A.; Yiğit, M.; Aydın, A.

    2013-10-01

    Iron (Fe) and nickel (Ni) are important fusion structural materials in reactor technology. The gas production in the metallic structure arising from many different types of nuclear reactions has been a significant damage mechanism in structural components of fusion reactors. The hydrogen and its isotopes at high temperatures leave out of the metallic lattice but the alpha (α) particles that remain in the lattice generate helium (He) gas bubbles. In other words, the α particles can cause serious changes in the physical and mechanical properties of the fusion structural materials. In this study, the excitation functions of 54,57Fe(p,α) and 58,60,61,64Ni(p,α) reactions have been investigated in the incident proton energy range of 10-40 MeV to estimate the radiation damage effects on fusion structural materials used in the construction of the first walls and core of the reactor. The calculations of (p,α) reaction cross sections on 54,57Fe and 58,60,61,64Ni have been made by using PCROSS code and CEM95 code. The full exciton and cascade exciton model (CEM95) for pre-equilibrium calculations and Weisskopf-Ewing model for equilibrium calculations are used. Besides, the semi-empirical cross section formula with new coefficient obtained by Tel et al. (Pramana J Phys 74:931-943, 2010) has been applied for (p,α) reactions at 17.9 MeV proton incident energy.

  9. Interstitial Fe in MgO

    NASA Astrophysics Data System (ADS)

    Mølholt, T. E.; Mantovan, R.; Gunnlaugsson, H. P.; Svane, A.; Masenda, H.; Naidoo, D.; Bharuth-Ram, K.; Fanciulli, M.; Gislason, H. P.; Johnston, K.; Langouche, G.; Ólafsson, S.; Sielemann, R.; Weyer, G.

    2014-01-01

    Isolated 57Fe atoms were studied in MgO single-crystals by emission Mössbauer spectroscopy following implantation of 57Mn decaying to 57Fe. Four Mössbauer spectral components were found corresponding to different Fe lattice positions and/or charge states. Two components represent Fe atoms substituting Mg as Fe2+ and Fe3+, respectively; a third component is due to Fe in a strongly implantation-induced disturbed region. The fourth component, which is the focus of this paper, can be assigned to Fe at an interstitial site. Comparison of its measured isomer shift with ab initio calculations suggests that the interstitial Fe is located on, or close to, the face of the rock-salt MgO structure. To harmonize such an assignment with the measured near-zero quadrupole interaction a local motion process (cage motion) of the Fe has to be stipulated. The relation of such a local motion as a starting point for long range diffusion is discussed.

  10. Energy calibration issues in nuclear resonant vibrational spectroscopy: observing small spectral shifts and making fast calibrations.

    PubMed

    Wang, Hongxin; Yoda, Yoshitaka; Dong, Weibing; Huang, Songping D

    2013-09-01

    The conventional energy calibration for nuclear resonant vibrational spectroscopy (NRVS) is usually long. Meanwhile, taking NRVS samples out of the cryostat increases the chance of sample damage, which makes it impossible to carry out an energy calibration during one NRVS measurement. In this study, by manipulating the 14.4 keV beam through the main measurement chamber without moving out the NRVS sample, two alternative calibration procedures have been proposed and established: (i) an in situ calibration procedure, which measures the main NRVS sample at stage A and the calibration sample at stage B simultaneously, and calibrates the energies for observing extremely small spectral shifts; for example, the 0.3 meV energy shift between the 100%-(57)Fe-enriched [Fe4S4Cl4](=) and 10%-(57)Fe and 90%-(54)Fe labeled [Fe4S4Cl4](=) has been well resolved; (ii) a quick-switching energy calibration procedure, which reduces each calibration time from 3-4 h to about 30 min. Although the quick-switching calibration is not in situ, it is suitable for normal NRVS measurements.

  11. Interstitial Fe in MgO

    SciTech Connect

    Mølholt, T. E. Gislason, H. P.; Ólafsson, S.; Mantovan, R.; Gunnlaugsson, H. P.; Svane, A.; Weyer, G.; Masenda, H.; Naidoo, D.; Bharuth-Ram, K.; Fanciulli, M.; Johnston, K.; Sielemann, R.

    2014-01-14

    Isolated {sup 57}Fe atoms were studied in MgO single-crystals by emission Mössbauer spectroscopy following implantation of {sup 57}Mn decaying to {sup 57}Fe. Four Mössbauer spectral components were found corresponding to different Fe lattice positions and/or charge states. Two components represent Fe atoms substituting Mg as Fe{sup 2+} and Fe{sup 3+}, respectively; a third component is due to Fe in a strongly implantation-induced disturbed region. The fourth component, which is the focus of this paper, can be assigned to Fe at an interstitial site. Comparison of its measured isomer shift with ab initio calculations suggests that the interstitial Fe is located on, or close to, the face of the rock-salt MgO structure. To harmonize such an assignment with the measured near-zero quadrupole interaction a local motion process (cage motion) of the Fe has to be stipulated. The relation of such a local motion as a starting point for long range diffusion is discussed.

  12. Probing the Redox States of Iron in Steam-Treated Isomorphously Substituted [Fe,Al]MFI Catalyst

    NASA Astrophysics Data System (ADS)

    Taboada, J. B.; Overweg, A. R.; Arends, I. W. C. E.; Mul, G.

    2005-04-01

    57Fe enriched isomorphously substituted [Fe,Al]MFI zeolites with varying aluminum content were prepared and subsequently calcined, proton-exchanged, and steamed to render them active in the direct oxidation of benzene to phenol using N2O as oxidant. The different post-treatment steps cause the migration of iron from framework to extra-framework positions creating various Fe-sites as deduced from 57Fe Mössbauer spectroscopy. An extraordinary high concentration of Fe2+ species (which were correlated to the formation of α-sites that was claimed to be responsible in the catalytic benzene-to-phenol reaction) was obtained for the sample containing 1.1% w/w aluminum. On the contrary, for the aluminum-free sample (Fe-silicalite) only Fe3+ species were observed. In-situ Fe K-edge XANES were performed to study the reactivity of the Fe-species in the steamed samples under reducing/oxidizing environment. Reduction-oxidation (redox) behavior was observed only for aluminum-containing samples, whereas the Fe3+ species in the Fe-silicalite maintain their oxidation state.

  13. Local environments of iron and cobalt in doped MgB2 superconductors

    NASA Astrophysics Data System (ADS)

    Kuzmann, E.; Homonnay, Z.; Klencsár, Z.; Kühberger, M.; Vértes, A.; Gritzner, G.

    2002-11-01

    MgB2 has been doped with 57Fe and 57Co in order to probe the electronic structure of the superconductor by Mössbauer spectroscopy. Simultaneous SEM-EDX studies showed that both Fe and Co were incorporated to some extent into the MgB2 host lattice. Mössbauer spectroscopy indicated that Fe2B and FeB were also formed during the preparation. At higher Fe contents Fe2B appeared unambiguously as a secondary phase in the x-ray diffraction. CoB was detected at substitution levels of 10 mol% and greater. Both Fe and Co doping decreased the Tc(0) modestly. Co and Fe were found to substitute at the Mg site in the MgB2 lattice. The Mössbauer parameters for 57Co and 57Fe were consistent with a metallic environment. The similarity of the isomer shifts in MgB2 and in cuprate superconductors is being discussed.

  14. Dynamics of iron atoms across the pressure-induced Invar transition in Pd{sub 3}Fe.

    SciTech Connect

    Winterrose, M. L.; Mauger, L.; Halevy, I.; Yue, A. F.; Lucas, M. S.; Munoz, J. A.; Tan, H.; Xiao, Y.; Chow, P.; Sturhahn, W.; Toellner, T.S.; Alp, E. E.; Fultz, B.

    2011-04-01

    The {sup 57}Fe phonon partial density of states (PDOS) in L1{sub 2}-ordered Pd{sub 3}Fe was studied at high pressures by nuclear resonant inelastic x-ray scattering (NRIXS) measurements and density functional theory (DFT) calculations. The NRIXS spectra showed that the stiffening of the {sup 57}Fe PDOS with decreasing volume was slower from 12 to 24 GPa owing to the pressure-induced Invar transition in Pd{sub 3}Fe, with a change from a high-moment ferromagnetic (FM) state to a low-moment (LM) state observed by nuclear forward scattering. Force constants obtained from fitting to a Born-von Karman model showed a relative softening of the first-nearest-neighbor (1NN) Fe-Pd longitudinal force constants at the magnetic transition. For the FM low-pressure state, the DFT calculations gave a PDOS and 1NN longitudinal force constants in good agreement with experiment, but discrepancies for the high-pressure LM state suggest the presence of short-range magnetic order.

  15. Studying Zooarchaeology

    ERIC Educational Resources Information Center

    Moore, Molly; Wolf, Deborah; Butler, Virginia L.

    2012-01-01

    Children often associate the study of bones with dinosaurs or crime scenes. This unit introduces students to "zooarchaeology," the study of animal remains from archaeological sites. Students in grades 3-5 engage in hands-on activities examining bones, shells, and other "hard parts" of animals. They use their observations as a starting point for…

  16. Women's Studies.

    ERIC Educational Resources Information Center

    Davis, James E., Ed.; Davis, Hazel K., Ed.

    1981-01-01

    The 16 articles in this journal issue deal with women's studies within the English curriculum. Topics discussed in the articles include (1) the feminist challenge to the male-centered curriculum in higher education; (2) the women's movement and women's studies; (3) connotations of the word "girl"; (4) women in English education; (5) the new…

  17. Study Skills.

    ERIC Educational Resources Information Center

    Thomas, Anne

    1993-01-01

    Three developments lend support to the idea that schools must help teach study skills: (1) advances in cognitive psychology that suggest children are active learners; (2) society's concern for at-risk students; and (3) growing demands for improved student performance. There is evidence that systematic study skills instruction does improve academic…

  18. Universal Studies.

    ERIC Educational Resources Information Center

    Kobryn, Nancy M.

    Universal Studies, a study program designed to help students develop emotionally, intellectually, and spiritually, is described. Development of the personality and character of the individual is emphasized, as are innovation, creativity, individualized instruction, independent learning, and realizing human potential. These goals are characterized…

  19. Social Studies.

    ERIC Educational Resources Information Center

    White, Cam, Ed.

    This document contains the following papers on social studies instruction and technology: (1) "Waking the Sleeping Giant: Social Studies Teacher Educators Collaborate To Integrate Technology into Methods' Courses" (Cheryl Mason, Marsha Alibrandi, Michael Berson, Kara Dawson, Rich Diem, Tony Dralle, David Hicks, Tim Keiper, and John Lee); (2)…

  20. Stream Studies.

    ERIC Educational Resources Information Center

    Hamilton City Board of Education (Ontario).

    This manual provides teachers with some knowledge of ecological study methods and techniques used in collecting data when plants and animals are studied in the field. Most activities deal with the interrelatedness of plant and animal life to the structure and characteristics of a stream and pond. Also included in this unit plan designed for the…

  1. Environmental Study

    ERIC Educational Resources Information Center

    Literacy Discussion, 1970

    1970-01-01

    Reports on a study of a pre-cooperative (the Sidi Saad pre-cooperative, Province of Tunis) as an environment in which a functional literacy program, integrated with socioeconomic development, was to be developed. (EB)

  2. Culture Studies: Hawaiian Studies Project.

    ERIC Educational Resources Information Center

    Hazama, Dorothy, Ed.

    Reports and materials from the Hawaiian Studies Project are presented. The document, designed for elementary school teachers contains two major sections. The first section describes the planning phase of the project, the Summer Institute for Hawaiian Culture Studies (1976) and the follow-up workshops and consultant help (1976-77). The appendix to…

  3. Social Studies Course of Study.

    ERIC Educational Resources Information Center

    Miller, John E.; Murphy, Terrence A.

    This K-12 sequential course of study is the result of one school district's efforts to improve continuity in the social studies curriculum. Following an introduction and statement of philosophy, the program is organized around four basic educational areas--knowledge, application, valuing, and participation. Specific program goals include promoting…

  4. A REFINED LOOK AT THE IRON ISOTOPE COMPOSITION OF THE MOON

    NASA Astrophysics Data System (ADS)

    Poitrasson, F.; Zambardi, T.; Magna, T.; Neal, C. R.

    2009-12-01

    It is difficult to estimate the bulk chemical and isotopic properties of planets, especially for the Moon for which our sampling is far more limited than for the Earth. As a result, there is currently a debate on the bulk Fe isotope composition of the Moon: Whereas in a first study we proposed that the bulk lunar Fe isotope composition (δ57Fe ~0.2‰) was twice as heavy as that of the Earth (δ57Fe ~0.1‰) relative to chondrites (δ57Fe ~0‰), normalized to IRMM-14, others proposed that there is no difference between Earth and Moon. This question is of crucial importance because the first case may track the Moon-forming giant interplanetary impact, whereas the alternative situation may also result from a very high pressure metal-silicate fractionation during the Earth’s core formation, assuming that the Moon subsequently inherited the Earth Fe isotope composition. To reassess this question, we analyzed a suite of 18 mare basalts (both high- and low-Ti) by MC-ICP-MS using the nickel doping technique developed at LMTG. Combined with our previous measurements of lunar rocks, we obtained a mean δ57Fe of 0.138±0.035‰ (2SE, n=11) for low-Ti basalts, 0.269±0.026‰ (2SE, n=16) for high-Ti ones and 0.177±0.036‰ (2SE, n=6) for highland rocks. T-tests confirm that averages of low- and high-Ti basalts are significantly different at the 95% confidence level. Similarly, t-tests indicate that highland rocks are significantly different from high-Ti basalts, but not from low-Ti ones. These new data therefore confirm suggestion from previous groups that low- and high-Ti basalts contain distinct Fe isotope signatures. This shows that on the Moon, high temperature processes can significantly change the Fe isotope composition of bulk mafic rocks at the planetary scale. This cannot result from simple equilibrium magmatic fractionation or assimilation of ilmenite given its Fe isotope fractionation factor, however. We conclude that another process, yet to be identified, is

  5. TRANSFER STUDY.

    ERIC Educational Resources Information Center

    GREIVE, DONALD E.

    THIS 1967 STUDY AT LORAIN COUNTY COMMUNITY COLLEGE (LCCC) WAS UNDERTAKEN TO DISCOVER (1) THE PERCENTAGE OF CREDIT HOURS IN A UNIVERSITY PARALLEL PROGRAM ACCEPTED BY TRANSFER INSTITUTIONS, (2) THE STUDENT'S GPA BEFORE AND AFTER TRANSFER, AND (3) HOW MANY COLLEGES ACCEPTED LCCC'S TRANSFERS. INSTITUTIONS TO WHICH LCCC STUDENTS HAD HAD THEIR…

  6. Study Skills.

    ERIC Educational Resources Information Center

    Gleason, Mary M.; And Others

    1988-01-01

    Study strategies used to assist mildly handicapped students become more actively engaged and successful in gaining and responding to information in content area classes are described. They include using advance organizers, summarizing/paraphrasing what is read, enhancing listening skills, and improving the organization, appearance, and accuracy of…

  7. CREOLE STUDIES.

    ERIC Educational Resources Information Center

    FIGUEROA, JOHN J.

    THE AUTHOR FEELS THAT THE STUDY OF THE CREOLIZATION OF LANGUAGE IN THE CARIBBEAN AREA IS IMPORTANT TO LINGUISTS, LANGUAGE TEACHERS, AND SOCIOLINGUISTS IN ALL PARTS OF THE WORLD. IN THIS PAPER, PRESENTED AT THE SECOND INSTITUTE OF THE INTER-AMERICAN PROGRAM IN LANGUAGES AND LINGUISTICS (MEXICO CITY, FEBRUARY 1968), HE FIRST REPORTS ON WORK DONE AT…

  8. In situ spectroscopic applications to the study of rechargeable lithium batteries. Final report

    SciTech Connect

    Barbour, R.; Kim, Sunghyun; Tryk, D.; Scherson, D.A.

    1993-08-01

    In situ attenuated total reflection Fourier transform infrared spectroscopy (ATR/FTIR) has been employed to examine the reactivity of lithium toward polyethylene oxide (PEO) at ca. 60{degree}C. Uncertainties regarding the cleanliness of the Li surfaces were, minimized by electrodepositing a film of metallic Li directly onto a thin layer of gold (ca. 60 {Angstrom}) vapor deposited on a Ge ATR optical element during the spectroscopic measurements. The ATR/FTIR features observed upon stripping the Li layer were consistent with the formation of alkoxide-type moieties resulting from the Li-induced cleavage of the ether-type functionalities. Electronic and structural aspects of the electrochemical insertion of lithium from non-aqueous electroyltes into FeS{sub 2} have been investigated using in situ Fe K-edge X-ray absorption fine structure (XAFS). The results obtained indicate that the incorporation of Li{sup +} in the pyrite lattice brings about a marked decrease in the amplitude of the extended XAFS (EXAFS) oscillations, particularly for shells associated with distant atoms and a rounding of the, X-ray absorption near edge structure (XANES) region. An analysis of the EXAFS spectra yielded a value for the FeS distance of 2.29 {plus_minus} 0.02 {Angstrom}. On this basis and additional in situ room temperature {sup 57}Fe Mossbauer effect spectroscopy data for the same system it has been proposed that the electrically formed material involves a highly disordered (possibly amorphous) form of Fe{sub l-x}S (with Li+ counterbalancing the charge).

  9. Studying Adolescence

    PubMed Central

    Richter, Linda M.

    2007-01-01

    Young people in their teens constitute the largest age group in the world, in a special stage recognized across the globe as the link in the life cycle between childhood and adulthood. Longitudinal studies in both developed and developing countries and better measurements of adolescent behavior are producing new insights. The physical and psychosocial changes that occur during puberty make manifest generational and early-childhood risks to development, in the form of individual differences in aspects such as growth, educational attainment, self-esteem, peer influences, and closeness to family. They also anticipate threats to adult health and well-being. Multidisciplinary approaches, especially links between the biological and the social sciences, as well as studies of socioeconomic and cultural diversity and determinants of positive outcomes, are needed to advance knowledge about this stage of development. PMID:16809526

  10. Cholera studies*

    PubMed Central

    Pollitzer, R.

    1956-01-01

    The first portion of this study describes in detail the different aspects of stool examinations, including the collection, preservation, and pooling of specimens, macroscopic and bacterioscopic examination, enrichment methods, and cultivation on a variety of solid media. The author also deals with the examination of vomits and of water. The performance and value of different identification tests (agglutination, haemolysis, and bacteriophage) and confirmatory tests are then considered. An annex is included on bacteriological procedures in the laboratory diagnosis of cholera. PMID:13356145

  11. Retrospective studies.

    PubMed

    Silveira, Patrícia Pelufo; Manfro, Gisele Gus

    2015-01-01

    Large retrospective, epidemiological studies accumulated in the late 1980s, providing increasing evidence to the deeply rooted thought that perinatal events could persistently affect the individual's functioning and health/disease patterns throughout the lifetime. Evidences of such associations can be found in the literature since the beginning of the twentieth century, but studies from Barker, Hales, and colleagues serve as an important hallmark. They proposed the "thrifty phenotype" hypothesis, stating that poor nutrition in fetal and early infant life is detrimental to the development and function of the individuals' organism, predisposing them to the later development of adult chronic diseases. At first used to explain the increased risk for type 2 diabetes in low birth weight individuals, the hypothesis was soon adapted to other systems, becoming one of the core assumptions of the Developmental Origins of Adult Health and Disease (DOHaD) model. The central nervous system is also vulnerable to the effects of environmental variation during fetal or neonatal life. Many researchers have explored the effects of perinatal programming on the human neurodevelopment, and some aspects of the brain structure and/or functioning (such as cognitive function, physiological reactivity to stress, and the risk for behavioral disorders or psychopathology) were shown to be modifiable by the exposure to certain adverse events early in life such as neonatal infections, exposure to gestational psychosocial stress, nutrition during gestation, exposure to drugs, or tobacco smoking during pregnancy. Until recently, most studies focused on birth weight as a strong surrogate of the intrauterine environment, investigating the effects of low birth weight (as a marker of suboptimal fetal environment) on a variety of neurodevelopmental outcomes. Despite the fact that literature reviews on this topic are as old as 1940, the more recent retrospective studies are summarized in this chapter.

  12. Thalidomide study.

    PubMed

    1997-07-01

    Preliminary findings from a study on the effects of thalidomide on HIV-related wasting syndrome are encouraging. The study shows that at least half of the weight gained by participants was in the form of lean body mass. Side effects included declines in neutrophil counts and pain or tingling in the hands and/or feet. A 0.3 log increase in viral load and no decrease in TNF-alpha levels were also noted. Celgene, the manufacturer of thalidomide, has streamlined an expanded access program and fully covers the cost of the drug for people who qualify for the program. (A phone number is provided for more information.) Additionally, the company is studying the benefits of thalidomide treatment for oral and esophageal aphthous ulcers. Results from the use of three different doses following four weeks will be compared, after which patients will be randomly assigned to either a placebo or thalidomide to determine its ability to prevent a relapse. Because of thalidomide's connection to serious birth defects, it is important that men and women engaging in reproductive sex use precautions to prevent pregnancy.

  13. U(v) in metal uranates: A combined experimental and theoretical study of MgUO4, CrUO4, and FeUO4

    DOE PAGESBeta

    Guo, Xiaofeng; Tiferet, Eitan; Qi, Liang; Solomon, Jonathan M.; Lanzirotti, Antonio; Newville, Matthew; Engelhard, Mark H.; Kukkadapu, Ravi K.; Wu, Di; Ilton, Eugene S.; et al

    2016-01-01

    Although pentavalent uranium can exist in aqueous solution, its presence in the solid state is uncommon. Metal monouranates, MgUO4, CrUO4 and FeUO4 were synthesized for detailed structural and energetic investigations. Structural characteristics of these uranates used powder X-ray diffraction, synchrotron X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, and 57Fe-Mossbauer spectroscopy. Enthalpies of formation were measured by high temperature oxide melt solution calorimetry. Density functional theory (DFT) calculations provided both structural and energetic information. The measured structural and thermodynamic properties show good consistency with those predicted from DFT. The presence of U5+ has been solidly confirmed in CrUO4 and FeUO4, which aremore » thermodynamically stable compounds, and the origin and stability of U5+ in the system was elaborated by DFT. Lastly, the structural and thermodynamic behaviour of U5+ elucidated in this work is relevant to fundamental actinide redox chemistry and to applications in the nuclear industry and radioactive waste disposal.« less

  14. A Cysteine-Rich CCG Domain Contains a Novel [4Fe-4S] Cluster Binding Motif As Deduced From Studies With Subunit B of Heterodisulfide Reductase From Methanothermobacter Marburgensis

    SciTech Connect

    Hamann, N.; Mander, G.J.; Shokes, J.E.; Scott, R.A.; Bennati, M.; Hedderich, R.

    2009-06-01

    Heterodisulfide reductase (HDR) of methanogenic archaea with its active-site [4Fe-4S] cluster catalyzes the reversible reduction of the heterodisulfide (CoM-S-S-CoB) of the methanogenic coenzyme M (CoM-SH) and coenzyme B (CoB-SH). CoM-HDR, a mechanistic-based paramagnetic intermediate generated upon half-reaction of the oxidized enzyme with CoM-SH, is a novel type of [4Fe-4S]{sup 3+} cluster with CoM-SH as a ligand. Subunit HdrB of the Methanothermobacter marburgensis HdrABC holoenzyme contains two cysteine-rich sequence motifs (CX{sub 31-39}CCX{sub 35-36}CXXC), designated as CCG domain in the Pfam database and conserved in many proteins. Here we present experimental evidence that the C-terminal CCG domain of HdrB binds this unusual [4Fe-4S] cluster. HdrB was produced in Escherichia coli, and an iron-sulfur cluster was subsequently inserted by in vitro reconstitution. In the oxidized state the cluster without the substrate exhibited a rhombic EPR signal (g{sub zyx} = 2.015, 1.995, and 1.950) reminiscent of the CoM-HDR signal. {sup 57}Fe ENDOR spectroscopy revealed that this paramagnetic species is a [4Fe-4S] cluster with {sup 57}Fe hyperfine couplings very similar to that of CoM-HDR. CoM-{sup 33}SH resulted in a broadening of the EPR signal, and upon addition of CoM-SH the midpoint potential of the cluster was shifted to values observed for CoM-HDR, both indicating binding of CoM-SH to the cluster. Site-directed mutagenesis of all 12 cysteine residues in HdrB identified four cysteines of the C-terminal CCG domain as cluster ligands. Combined with the previous detection of CoM-HDR-like EPR signals in other CCG domain-containing proteins our data indicate a general role of the C-terminal CCG domain in coordination of this novel [4Fe-4S] cluster. In addition, Zn K-edge X-ray absorption spectroscopy identified an isolated Zn site with an S{sub 3}(O/N){sub 1} geometry in HdrB and the HDR holoenzyme. The N-terminal CCG domain is suggested to provide ligands to the Zn

  15. Anticorrosion studies

    NASA Technical Reports Server (NTRS)

    Boerio, J.

    1986-01-01

    The aging behavior of chemically bonded interfaces between metals and pottants, such as ethylene vinyl acetate (EVA) was studied using the Dow Corning primer systems. It was observed that the primers seem to function as anticorrosive agents on metal surfaces. It was demonstrated that EVA, and the A-11861 EVA/glass primer stops corrosion of the aluminum used on the back surfaces of crystalline silicon solar cells. However, this same treatment does not work for the aluminum on the back surfaces of amorphous silicon solar cells.

  16. Ethnobotanical Study.

    PubMed

    2016-01-01

    Ethnobotany is the study of interrelationships between human cultures and plants, animals, and other organisms in their environment. It also creates an awareness of the link between biodiversity and cultural diversity. From the beginning of civilization, people have been using plants for various purposes like food, shelter, medicines, etc. Ethnobotanists play a key role in exploring these kinds of information from indigenous people which creates a gateway for formulating a novel drug. The content in this chapter deals with these aspects in an approachable manner. PMID:26939258

  17. Cholera studies*

    PubMed Central

    Swaroop, S.; Pollitzer, R.

    1955-01-01

    In this study, figures relating to cholera deaths occurring in individual countries, from 1900 to 1952, are recorded as well as the incidence of the disease from 1923 up to the present time. The mode of spread of cholera from its endemic home in India to outside countries is described in relation to favourable seasons, main routes followed by the infection, and the role played by large religious gatherings. The incidence of the disease in the various seaports infected within recent years is discussed. PMID:14364186

  18. Cholera studies*

    PubMed Central

    Pollitzer, R.

    1957-01-01

    Discussing the symptomatology of cholera, the author deals first with the incubation period, the clinical types, choleraic diarrhoea, and cholerine; he then considers in detail the various stages of cholera gravis and the relapses and complications that may be met. This is followed by sections on diagnosis and differential diagnosis, and on prognosis and the various factors influencing it. The author's highly detailed review of the treatment of cholera which concludes this study is divided into three parts, dealing with attempts at specific therapy, with infusion treatment, and with adjuvant treatment. PMID:13426761

  19. Plague studies*

    PubMed Central

    Pollitzer, R.

    1953-01-01

    In examining the control and prevention of plague, the author pays particular attention to the control of commensal rodents and their fleas. The various rat poisons in current use, their efficacy and practical application, and the dangers involved in their manipulation are described in great detail. The author also discusses other anti-rodent measures such as fumigation, rat-proofing, sanitation, protection of food, etc. The second part of the study deals with: vector control—the outstanding value of DDT application in rodent-flea control is emphasized—, the direct control of bubonic and pneumonic plague, and the control of the spread of plague at a distance. PMID:20603968

  20. Complementary Study

    SciTech Connect

    Yamada, H.

    2009-02-19

    In this lecture, it is emphasized that sufficient resolution of scientific issues for a fusion energy reactor can be given by complementary studies. Key scientific issues for a fusion energy reactor and ITER addressed by a complementary study in the Large Helical Device (LHD) are discussed. It should be noted that ITER is definitely a necessary condition but not a sufficient condition. Helical systems including stellarators and heliotrons are defined as alternative concepts. These approaches also aim at a fusion energy reactor based on their own concept and simultaneously benefit progress in tokamaks, more specifically ITER itself. The exact science to manage a 3-D geometry has been being developed in helical systems. A physical model with much accuracy and breadth will demonstrate its applicability to ITER. Topics to validate ''complementary'' approaches such as 3-D equilibrium, interchange MHD mode, control of radial electric field and structure formation, dynamics of a magnetic island, density limit and edge plasmas are discussed. Complementary is not Supplementary. ITER is complementary to development of a helical fusion energy reactor as well. Complementary approaches transcend existing disciplinary horizons and enable big challenges.

  1. Plague studies*

    PubMed Central

    Pollitzer, R.

    1953-01-01

    The author examines in detail the symptomatology, diagnosis, and treatment of plague, and outlines the problem of the length of the incubation period. The clinical features commonly met with in all severely-affected plague patients, regardless of the primary localization of the infection, are described. The author then deals with the symptomatology and manifestations of bubonic plague as compared to those of primary pneumonic plague. The importance of a clinical diagnosis, from the point of view of prevention, is stressed, and the differential diagnosis of various forms of the disease is described. The study contains a detailed discussion of the respective merits of antibiotic treatment, serotherapy, and sulfonamide treatment. The author points out that the outstanding success of streptomycin and some other antibiotics will probably relegate the sulfonamides to the second rank in the treatment of bubonic plague. PMID:13082390

  2. Plague studies*

    PubMed Central

    Pollitzer, R.

    1953-01-01

    Epidemiological aspects of (a) bubonic plague and (b) primary pneumonic plague are discussed separately in this study. The cause, spread, and persistence of bubonic outbreaks are dealt with. In the case of primary pneumonic plague, the author systematically reviews the factors influencing the spread of the disease: climatic and social conditions, infectivity of the patients, immunity, and control measures. In discussing the cause of pneumonic plague outbreaks, the author deals with the possible influence of a special virulence of pneumonic strains, the role of the rodent and flea species involved, and the possibility of a pneumotropismus acquired by Pasteurella pestis. The periodicity (cyclical and secular) of bubonic plague epidemics is discussed with a view to the possible forecasting of future epidemics. The author indicates the influence of race, age, sex, and occupation on the incidence of both forms of the disease. PMID:13082391

  3. Nutritional studies

    NASA Technical Reports Server (NTRS)

    Rambaut, P. C.; Smith, M. C., Jr.; Wheeler, H. O.

    1975-01-01

    Detailed metabolic studies were conducted of the Apollo 16 and Apollo 17 flight crews, and the results are presented in tabular form. Intake and absorption data are also included. Apollo nutrient intakes were found to be characteristically hypocaloric. Estimates of body composition changes from metabolic balance data, from preflight and postflight weights and volumes, and from total body water and potassium provide no evidence for diminished caloric requirements during a flight. As observed during the Gemini Program and during periods of bed rest, measurements of bone density and metabolic balance confirm a tendency toward loss of skeletal tissue in weightlessness. No evidence exists that any inflight metabolic anomaly, including hypokalemia, was induced by marginal or deficient nutrient intakes. In general, the Apollo crewmen were well nourished and exhibited normal gastroenterological functions, although appetite was somewhat diminished and the organoleptic response to food was somewhat modified during flight.

  4. [EPINETAC study].

    PubMed

    Hernández Navarrete, Ma Jesús; Arribas Llorente, José Luis; Misiego Peral, Antonio; Guillamón, Inmaculada

    2006-02-01

    Daily, health professionals face biological risks, which have important repercussions for their own health, while performing their professional duties. A system which records data that quantifies and specifies the causes of work place accidents, the instruments most frequently involved in accidents, the professional categories having the greatest exposure, the tasks most at risk and the types of lesions is fundamental in order to grasp the true dimensions of these problems related to accidents and serum-borne disease transmission. Such a data base-could lead to the necessity, and highlight the importance, to increase preventive and protective measures for health personnel. To meet this objective, the EPINETAC project has been developed thanks to the information provided by 106 centers having various degrees of participation during the different years this study has taken.

  5. Cholera studies*

    PubMed Central

    Pollitzer, R.

    1957-01-01

    The first section of this study deals with areas where cholera is endemic and with the conditions normally favouring endemicity. Turning next to epidemics, the author discusses their origin and types, climatic influences on them, their periodicity and the possibility of forecasting them, the role played in them by different serological races of V. cholerae, and the causes of their decline. In a section on the factors governing the local spread of cholera, he considers contact and water-borne infection; the role of contaminated food and drink, of fomites, of flies, and of carriers; and the incidence according to sex, age, race, and occupation. The last part deals with factors governing the spread of cholera over longer distances, and includes discussion of the effect of movements of individuals and groups and of assemblies of the population on pilgrimages or at religious festivals. PMID:13472431

  6. Cholera studies*

    PubMed Central

    Pollitzer, R.

    1957-01-01

    In discussing prevention, the author deals first with the provision of permanently safe water, supplied from waterworks or wells, and with other improvements in environmental sanitation. Control of food and drinks, public health propaganda and education, and vaccination are also considered under this heading. The greater part of this study is devoted to suppressive measures, affecting the individual, the environment, and persons in the mass. Discussion of the isolation, detection and management of cholera patients, the management of contacts, and the management and treatment of carriers is followed by sections on, inter alia, disinfection, temporary improvements in water supplies, fly control, and personal prophylaxis. In dealing with mass prophylaxis, the author pays particular attention to vaccination. In the concluding sections he goes into the control of pilgrimages and local and international quarantine measures. PMID:13479774

  7. Systems Studies

    SciTech Connect

    Graham, R.L.

    1998-03-17

    The Systems Studies Activity had two objectives: (1) to investigate nontechnical barriers to the deployment of biomass production and supply systems and (2) to enhance and extend existing systems models of bioenergy supply and use. For the first objective, the Activity focused on existing bioenergy markets. Four projects were undertaken: a comparative analysis of bioenergy in Sweden and Austria; a one-day workshop on nontechnical barriers jointly supported by the Production Systems Activity; the development and testing of a framework for analyzing barriers and drivers to bioenergy markets; and surveys of wood pellet users in Sweden, Austria and the US. For the second objective, two projects were undertaken. First, the Activity worked with the Integrated BioEnergy Systems (TBS) Activity of TEA Bioenergy Task XIII to enhance the BioEnergy Assessment Model (BEAM). This model is documented in the final report of the IBS Activity. The Systems Studies Activity contributed to enhancing the feedstock portion of the model by developing a coherent set of willow, poplar, and switchgrass production modules relevant to both the US and the UK. The Activity also developed a pretreatment module for switchgrass. Second, the Activity sponsored a three-day workshop on modeling bioenergy systems with the objectives of providing an overview of the types of models used to evaluate bioenergy and promoting communication among bioenergy modelers. There were nine guest speakers addressing different types of models used to evaluate different aspects of bioenergy, ranging from technoeconomic models based on the ASPEN software to linear programming models to develop feedstock supply curves for the US. The papers from this workshop have been submitted to Biomass and Bioenergy and are under editorial review.

  8. Studying toxicity

    USGS Publications Warehouse

    Elkus, A.; LeBlanc, L.; Kim, C.; Van Beneden, R.; Mayer, G.

    2006-01-01

    With funding from the George Mitchell Center for the Environment at the University of Maine, a team of scientists used a simple laboratory-based sediment resuspension design, and two well-established aquatic toxicology models, fathead minnows (Pimephales promelas) and zebrafish (Danio rerio), to evaluate if resuspension of Penobscot river sediment significantly elevates the toxicity of river water and to provide preliminary information on the types of chemicals likely to desorb during resuspension. The group collected sediments from two sites with known chemical contamination downstream of the Great Works and Veazie dams. The sediments were examined to determine the dynamics of PAH desorption and degradation under different resuspension frequencies. The scientists used clarified water from resuspension experiments for toxicity tests with the water-flea Ceriodaphnia dubia, and other aquatic test organisms to infer toxicity from sediments from northern California rivers. Data from the study will help ascertain whether metals and/or xenoestrogens are present in the desorption water and give insight into possible avenues of sediment remediation.

  9. Population studies.

    PubMed

    Heenan, B

    1989-01-01

    A number of studies have been published about the population change in New Zealand between 1936 and 1986. During this time an intellectual and demographic revolution also took place simultaneously. From 1961 and 1986 the population increased from 2.4 million to 3.3 million mainly because of Polynesian immigration, and the elderly and females also increased. The Maoris became urban. Mortality stayed stable, but fertility declined to below replacement level in the 1980's. Murray Wilson (1988) analyzed the relationship of fertility and mortality in terms of a post-transitional (developed) society like Australia or the European norm of a 2-children family. In his view the youth culture, television, and female aspirations greatly influenced childrearing. Daniel Noin (1988) examined the current state of geographical research on mortality from a methodological point of view finding wide differences in mortality in Quebec, Brussels, Paris, and London attributable to culture. Mosley and Chen (1984) argued that social, cultural, and economic factors to mortality are mediated by individual, household, and community variables. Jones and Moon (1987) dealt with medical geography in the context of the consumption of health care and disease ecology. Momsen and Townsend (1987) addressed the role of women in developing countries stating that gender is socially created and it examined the worldwide subordination of women. In the 1980's a host of other authors have also touched on the subject of the demography of gender analyzing discrimination against female children, unmarried American women, and single parent families. Yet Fahey (1988) stated that gender was only regarded relevant by Australian geographers as a demographic variable. PMID:12283966

  10. Coupled anion and cation ordering in Sr{sub 3}RFe{sub 4}O{sub 10.5} (R=Y, Ho, Dy) anion-deficientperovskites

    SciTech Connect

    Abakumov, Artem M.; D'Hondt, Hans; Rossell, Marta D.; Tsirlin, Alexander A.; Gutnikova, Olga; Filimonov, Dmitry S.; Schnelle, Walter; Rosner, Helge; Hadermann, Joke; Van Tendeloo, Gustaaf; Antipov, Evgeny V.

    2010-12-15

    The Sr{sub 3}RFe{sub 4}O{sub 10.5} (R=Y, Ho, Dy) anion-deficient perovskites were prepared using a solid-state reaction in evacuated sealed silica tubes. Transmission electron microscopy and {sup 57}Fe Moessbauer spectroscopy evidenced a complete A-cations and oxygen vacancies ordering. The structure model was further refined by ab initio structure relaxation, based on density functional theory calculations. The compounds crystallize in a tetragonal a{approx}2{radical}2a{sub p{approx}}11.3 A, c{approx}4c{sub p{approx}}16 A unit cell (a{sub p}: parameter of the perovskite subcell) with the P4{sub 2}/mnm space group. Oxygen vacancies reside in the (FeO{sub 5/4{open_square}3/4}) layers, comprising corner-sharing FeO{sub 4} tetrahedra and FeO{sub 5} tetragonal pyramids, which are sandwiched between the layers of the FeO{sub 6} octahedra. Smaller R atoms occupy the 9-fold coordinated position, whereas the 10-fold coordinated positions are occupied by larger Sr atoms. The Fe sublattice is ordered aniferromagnetically up to at least 500 K, while the rare-earth sublattice remains disordered down to 2 K. -- Graphical abstract: The Sr{sub 3}RFe{sub 4}O{sub 10.5} (R=Y, Ho, Dy) anion-deficient perovskites with a complete ordering of the A-cations and oxygen vacancies have been prepared using a solid-state reaction in evacuated sealed silica tubes. Oxygen vacancies reside in the (FeO{sub 5/43/4}) layers, comprising corner-sharing FeO{sub 4} tetrahedra and FeO{sub 5} tetragonal pyramids, which are sandwiched between the layers of the FeO{sub 6} octahedra. Smaller R atoms occupy the 9-fold coordinated position, whereas the 10-fold coordinated positions are occupied by larger Sr atoms.

  11. Electronic Perturbations of Iron Dipyrrinato Complexes via Ligand [beta]-Halogenation and meso-Fluoroarylation

    SciTech Connect

    Scharf, Austin B.; Betley, Theodore A.

    2012-10-11

    Systematic electronic variations were introduced into the monoanionic dipyrrinato ligand scaffold via halogenation of the pyrrolic {beta}-positions and/or via the use of fluorinated aryl substituents in the ligand bridgehead position in order to synthesize proligands of the type 1,9-dimesityl-{beta}-R{sub 4}-5-Ar-dipyrrin [R = H, Cl, Br, I; Ar = mesityl, 3,5-(F{sub 3}C){sub 2}C{sub 6}H{sub 3}, C{sub 6}F{sub 5} in ligand 5-position; {beta} = 2,3,7,8 ligand substitution; abbreviated ({sup {beta},Ar}L)H]. The electronic perturbations were probed using standard electronic absorption and electrochemical techniques on the different ligand variations and their divalent iron complexes. The free-ligand variations cause modest shifts in the electronic absorption maxima ({lambda}{sub max}: 464-499 nm) and more pronounced shifts in the electrochemical redox potentials for one-electron proligand reductions (E{sub 1/2}: -1.25 to -1.99 V) and oxidations (E{sub 1/2}: +0.52 to +1.14 V vs [Cp{sub 2}Fe]{sup +/0}). Installation of iron into the dipyrrinato scaffolds was effected via deprotonation of the proligands followed by treatment with FeCl{sub 2} and excess pyridine in tetrahydrofuran to afford complexes of the type ({sup {beta},Ar}L)FeCl(py) (py = pyridine). The electrochemical and spectroscopic behavior of these complexes varies significantly across the series: the redox potential of the fully reversible Fe{sup III/II} couple spans more than 400 mV (E{sub 1/2}: -0.34 to +0.50 V vs [Cp{sub 2}Fe]{sup +/0}); {lambda}{sub max} spans more than 40 nm (506-548 nm); and the {sup 57}Fe Moessbauer quadrupole splitting (|{Delta}E{sub Q}|) spans nearly 2.0 mm/s while the isomer shift ({delta}) remains essentially constant (0.86-0.89 mm/s) across the series. These effects demonstrate how peripheral variation of the dipyrrinato ligand scaffold can allow systematic variation of the chemical and physical properties of iron dipyrrinato complexes.

  12. Iron isotope tracing of mantle heterogeneity within the source regions of oceanic basalts

    NASA Astrophysics Data System (ADS)

    Williams, Helen M.; Bizimis, Michael

    2014-10-01

    Mineralogical variations in the Earth's mantle and the relative proportions of peridotitic versus enriched and potentially crustally-derived pyroxenitic domains within the mantle have important implications for mantle dynamics, magma generation, and the recycling of surface material back into the mantle. Here we present iron (Fe) stable isotope data (δ57Fe, deviation in 57Fe/54Fe from the IRMM-014 standard in parts per thousand) for peridotite and garnet-pyroxenite xenoliths from Oahu, Hawaii and explore Fe isotopes as tracer of both peridotitic and pyroxenitic components in the source regions of oceanic basalts. The pyroxenites have δ57Fe values that are heavy (0.10 to 0.27‰) relative to values for mid-ocean ridge and ocean island basalts (MORB; OIB; δFe57∼0.16‰) and the primitive mantle (PM; δFe57∼0.04‰). Pyroxenite δ57Fe values are positively correlated with bulk pyroxenite titanium and heavy rare earth element (REE) abundances, which can be interpreted in terms of stable isotope fractionation during magmatic differentiation and pyroxene cumulate formation. In contrast, the peridotites have light δ57Fe values (-0.34 to 0.14‰) that correlate negatively with degree of melt depletion and radiogenic hafnium isotopes, with the most depleted samples possessing the most radiogenic Hf isotope compositions and lightest δ57Fe values. While these correlations are broadly consistent with a scenario of Fe isotope fractionation during partial melting, where isotopically heavy Fe is extracted into the melt phase, leaving behind low-δ57Fe peridotite residues, the extent of isotopic variation is far greater than predicted by partial melting models. One possibility is derivation of the samples from a heterogeneous source containing both light-δ57Fe (relative to PM) and heavy-δ57Fe components. While pyroxenite is a viable explanation for the heavy-δ57Fe component, the origin of the depleted light-δ57Fe component is more difficult to explain, as melting

  13. LEAD STUDIES

    PubMed Central

    Aub, Joseph C.; Reznikoff, Paul; Smith, Dorothea E.

    1924-01-01

    It appears, from the investigations in other laboratories, that the anemia observed in cases of lead poisoning is due to destruction of blood rather than to diminished production of blood. The method of poisoning cells in vitro with lead was adopted in order to study this phenomenon, and distinct effects were thereby obtained, even when only 0.001 mg. of lead is added to approximately 5 billion washed red corpuscles. In order to obtain optimum results the usual dosage employed was ten times this or 0.01 mg. per 5 billion cells. The following changes were observed in cells so treated. 1. Such a marked increase in the resistance to hypotonic salt solution develops that complete hemolysis does not occur until the cells are exposed to a saline solution of 0.05 per cent. Untreated cells are completely hemolyzed in 0.25 or 0.225 per cent saline. 2. This reaction is quantitative and varies with the concentration of lead used. Under the conditions of our experiments this phenomenon seems to be unique. The effects of arsenic are very slight in comparison. 3. While from this reaction it may be concluded that lead increases cellular resistance, it also appears that it shortens the life of blood cells. This may be demonstrated by the much more rapid appearance of hemolysis than normal when the cells are merely allowed to stand in Ringer solution of any dilution. 4. In rabbits with acute lead poisoning these same phenomena may be noted in vivo. 5. Both phenomena may be changed in vitro by varying the time and temperature of the reaction and the concentration of lead, as Fici has already pointed out. 6. If normal cells stand in Ringer solution for 6 hours something diffuses into the solution which largely reduces the action of lead. After repeated washing these cells react with lead in the usual manner. 7. Small amounts of serum react with lead and eliminate its effects. Red blood cells, treated with a mixture of lead and blood serum, show normal hemolysis in hypotonic salt

  14. Studying the effect of Zn-substitution on the magnetic and hyperthermic properties of cobalt ferrite nanoparticles

    NASA Astrophysics Data System (ADS)

    Mameli, V.; Musinu, A.; Ardu, A.; Ennas, G.; Peddis, D.; Niznansky, D.; Sangregorio, C.; Innocenti, C.; Thanh, Nguyen T. K.; Cannas, C.

    2016-05-01

    The possibility to finely control nanostructured cubic ferrites (MIIFe2O4) paves the way to design materials with the desired magnetic properties for specific applications. However, the strict and complex interrelation among the chemical composition, size, polydispersity, shape and surface coating renders their correlation with the magnetic properties not trivial to predict. In this context, this work aims to discuss the magnetic properties and the heating abilities of Zn-substituted cobalt ferrite nanoparticles with different zinc contents (ZnxCo1-xFe2O4 with 0 < x < 0.6), specifically prepared with similar particle sizes (~7 nm) and size distributions having the crystallite size (~6 nm) and capping agent amount of 15%. All samples have high saturation magnetisation (Ms) values at 5 K (>100 emu g-1). The increase in the zinc content up to x = 0.46 in the structure has resulted in an increase of the saturation magnetisation (Ms) at 5 K. High Ms values have also been revealed at room temperature (~90 emu g-1) for both CoFe2O4 and Zn0.30Co0.70Fe2O4 samples and their heating ability has been tested. Despite a similar saturation magnetisation, the specific absorption rate value for the cobalt ferrite is three times higher than the Zn-substituted one. DC magnetometry results were not sufficient to justify these data, the experimental conditions of SAR and static measurements being quite different. The synergic combination of DC with AC magnetometry and 57Fe Mössbauer spectroscopy represents a powerful tool to get new insights into the design of suitable heat mediators for magnetic fluid hyperthermia.The possibility to finely control nanostructured cubic ferrites (MIIFe2O4) paves the way to design materials with the desired magnetic properties for specific applications. However, the strict and complex interrelation among the chemical composition, size, polydispersity, shape and surface coating renders their correlation with the magnetic properties not trivial to predict

  15. Pressure effect on the electronic structure of iron in (Mg,Fe)(Al,Si)O3 perovskite: A combined synchrotron M?ssbauer and x-ray emission spectroscopy study up to 100 GPa

    SciTech Connect

    Li, J; Sturhahn, W; Jackson, J; Struzhkin, V V; Lin, J F; Zhao, J; Mao, H K; Shen, G

    2006-01-23

    We investigated the valence and spin state of iron in an Al-bearing ferromagnesian silicate perovskite sample, (Mg{sub 0.88}Fe{sub 0.09})(Si{sub 0.94}Al{sub 0.10})O{sub 3}, at 300 K and up to 100 GPa, using diamond-anvil cells and synchrotron Moessbauer spectroscopy techniques. Under elevated pressures, our Moessbauer time spectra are sufficiently fitted by a ''three-doublet'' model, which assumes two ferrous (Fe{sup 2+}) iron types and one ferric (Fe{sup 3+}) iron type with distinct hyperfine parameters. At pressures above 20 GPa, the fraction of the ferric iron, Fe{sup 3+}/{Sigma}Fe, is about 75% and remains unchanged to the highest pressure, indicating a fixed valence state of iron within this pressure range. Between 20 and 100 GPa, the quadruple splittings of all three iron types do not change with pressure, while the isomer shift between the Fe{sup 3+} types and the Fe{sup 2+} type increases continuously with increasing pressure. In conjunction with previous x-ray emission data on the same sample, the unchanging quadruple splittings and increasing isomer shift suggest that Fe{sup 2+} undergoes a broad spin crossover towards the low-spin state at 100 GPa, while Fe{sup 3+} remains in the high-spin state. The essentially constant quadruple splittings of Fe{sup 2+} can also be taken as an indication for strong resistance against further distortion of the local iron environment after initial compression.

  16. Local structures in mixed Li{sub x}Fe{sub 1−y}M{sub y}PO{sub 4} (M=Co, Ni) electrode materials

    SciTech Connect

    Jalkanen, K.; Lindén, J.; Karppinen, M.

    2015-10-15

    We employ {sup 57}Fe Mössbauer spectroscopy as a local tool to probe electrical environments of Fe{sup 2+} and Fe{sup 3+} at different lithiation (x) and cation-substitution (y) levels in Li{sub x}Fe{sub 1−y}M{sub y}PO{sub 4}/C (M=Co, Ni) Li-ion battery electrode materials. Upon delithiation the local environment of Fe{sup 3+} remains unaffected for the parent y=0 system due to the LiFePO{sub 4}/FePO{sub 4} phase separation, whereas for y>0 changes in the electrical environment are seen for Fe{sup 3+}. When the Fe{sup 2+}/Fe{sup 3+} redox couple is partially-delithiated, a decreasing quadrupole splitting value is observed for Fe{sup 3+} with increasing y, implying a more symmetric electrical environment. The increasing concentration of the Co{sup 2+}/Ni{sup 2+} substituent introduces increasing amounts of Li atoms in the Fe{sup 3+}-containing phase, and these nearest-neighbor Li atoms are suspected to cause the changes seen in the local environment of Fe{sup 3+}. - Graphical abstract: Local environment of iron in Li{sub x}Fe{sub 1−y}(Co/Ni){sub y}PO{sub 4} is studied by {sup 57}Fe Mössbauer spectroscopy at different lithiation (x) and cation-substitution (y) levels. - Highlights: • Local Fe environment in Li{sub x}Fe{sub 1−y}(Co/Ni){sub y}PO{sub 4} is studied by {sup 57}Fe Mössbauer spectroscopy. • Co/Ni-for-Fe substitution results in a more symmetric electrical environment for Fe{sup 3+}. • Due to presence of Co{sup 2+}/Ni{sup 2+}, Li atoms are introduced into the Fe{sup 3+}-containing phase. • These nearest-neighbor Li atoms are suggested to change the local Fe{sup 3+} environment.

  17. Melt densities in the CaO-FeO-Fe 2O 3-SiO 2 system and the compositional dependence of the partial molar volume of ferric iron in silicate melts

    NASA Astrophysics Data System (ADS)

    Dingwell, Donald B.; Brearley, Mark

    1988-12-01

    The densities of 10 melts in the CaO-FeO-Fe 2O 3-SiO 2 system were determined in equilibrium with air, in the temperature range of 1200 to 1550°C, using the double-bob Archimedean technique. Melt compositions range from 6 to 58 wt% SiO 2, 14 to 76 wt% Fe 2O 3 and 10 to 46 wt% CaO. The ferric-ferrous ratios of glasses drop-quenched from loop fusion equilibration experiments were determined by 57Fe Mössbauer spectroscopy. Melt densities range from 2.689 to 3.618 gm/cm 3 with a mean standard deviation from replicate experiments of 0.15%. Least-squares regressions of molar volume versus molar composition have been performed and the root mean squared deviation shows that a linear combination of partial molar volumes for the oxide components (CaO, FeO, Fe 2O 3 and SiO 2) cannot describe the data set within experimental error. Instead, the inclusion of excess terms in CaFe 3+ and CaSi (product terms using the oxides) is required to yield a fit that describes the experimental data within error. The nonlinear compositional-dependence of the molar volumes of melts in this system can be explained by structural considerations of the roles of Ca and Fe 3+. The volume behavior of melts in this system is significantly different from that in the Na 2O-FeO-Fe 2O 3-SiO 2 system, consistent with the proposal that a proportion of Fe 3+ in melts in the CaO-FeO-Fe 2O 3-SiO 2 system is not tetrahedrally-coordinated by oxygen, which is supported by differences in 57Fe Mössbauer spectra of glasses. Specifically, this study confirms that the 57Fe Mössbauer spectra exhibit an area asymmetry and higher values of isomer shift of the ferric doublet that vary systematically with composition and temperature (this study; Dingwell and Virgo, 1987, 1988). These observations are consistent with a number of other lines of evidence ( e.g., homogeneous redox equilibria, Dickenson and Hess, 1986; viscosity, Dingwell and Virgo, 1987,1988). Two species of ferric iron, varying in proportions with

  18. Mineralogy of the clay fraction of soils from the moray cusco archaeological site: a study by energy dispersive X-ray fluorescence, X-ray diffractometry and Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Cerón Loayza, María L.; Bravo Cabrejos, Jorge A.; Mejía Santillán, Mirian E.

    2011-11-01

    The purpose of this work is to report the advances in the elemental and structural characterization of the clay fraction of soils from the terraces of the Moray Archaeological site, located 38 km north of the city of Cusco, Cusco Region. One sample was collected from each of the twelve terraces of this site and its clay fraction was separated by sedimentation. Previously the pH of the raw samples was measured resulting that all of the samples were from alkaline to strongly alkaline. Energy dispersive X-ray fluorescence (EDXRF) was used for the elemental characterization, and X-ray diffractometry (XRD) and transmission Mössbauer spectroscopy (TMS), using the γ 14.4 keV nuclear resonance transition in 57Fe, were used for the structural characterization of the clays and clay minerals present in each sample. The EDXRF analyses of all the samples show the presence of relatively high concentrations of sulfur in some of the samples and relatively high concentrations of calcium in all of the samples, which may be related to the high alkalinity of the samples. By XRD it is observed the presence of quartz, calcite, gypsum, cronstedtite, 2:1 phyllosilicates, and iron oxides. The mineralogical analysis of Fe by TMS shows that it is present in the form of hematite and occupying Fe2 + and Fe3 + sites in phyllosilicates, cronstedtite, and other minerals not yet identified.

  19. U(v) in metal uranates: A combined experimental and theoretical study of MgUO4, CrUO4, and FeUO4

    SciTech Connect

    Guo, Xiaofeng; Tiferet, Eitan; Qi, Liang; Solomon, Jonathan M.; Lanzirotti, Antonio; Newville, Matthew; Engelhard, Mark H.; Kukkadapu, Ravi K.; Wu, Di; Ilton, Eugene S.; Asta, Mark; Sutton, Stephen R.; Xu, Hongwu; Navrotsky, Alexandra

    2016-01-01

    Although pentavalent uranium can exist in aqueous solution, its presence in the solid state is uncommon. Metal monouranates, MgUO4, CrUO4 and FeUO4 were synthesized for detailed structural and energetic investigations. Structural characteristics of these uranates used powder X-ray diffraction, synchrotron X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, and 57Fe-Mossbauer spectroscopy. Enthalpies of formation were measured by high temperature oxide melt solution calorimetry. Density functional theory (DFT) calculations provided both structural and energetic information. The measured structural and thermodynamic properties show good consistency with those predicted from DFT. The presence of U5+ has been solidly confirmed in CrUO4 and FeUO4, which are thermodynamically stable compounds, and the origin and stability of U5+ in the system was elaborated by DFT. Lastly, the structural and thermodynamic behaviour of U5+ elucidated in this work is relevant to fundamental actinide redox chemistry and to applications in the nuclear industry and radioactive waste disposal.

  20. Nuclear resonant inelastic X-ray scattering at high pressure and low temperature

    DOE PAGESBeta

    Bi, Wenli; Zhao, Jiyong; Lin, Jung -Fu; Jia, Quanjie; Hu, Michael Y.; Jin, Changqing; Ferry, Richard; Yang, Wenge; Struzhkin, Viktor; Alp, E. Ercan

    2015-01-01

    In this study, a new synchrotron radiation experimental capability of coupling nuclear resonant inelastic X-ray scattering with the cryogenically cooled high-pressure diamond anvil cell technique is presented. The new technique permits measurements of phonon density of states at low temperature and high pressure simultaneously, and can be applied to studies of phonon contribution to pressure- and temperature-induced magnetic, superconducting and metal–insulator transitions in resonant isotope-bearing materials. In this report, a pnictide sample, EuFe2As2, is used as an example to demonstrate this new capability at beamline 3-ID of the Advanced Photon Source, Argonne National Laboratory. A detailed description of the technicalmore » development is given. The Fe-specific phonon density of states and magnetism from the Fe sublattice in Eu57Fe2As2 at high pressure and low temperature were derived by using this new capability.« less

  1. Fostering Effective Studying and Study Planning with Study Questions

    ERIC Educational Resources Information Center

    Wilhelm, Pascal; Pieters, Jules M.

    2007-01-01

    In a course on biological psychology and neuropsychology, study questions were provided that also appeared as test questions in the course exam. This method was introduced to support students in active processing and reproduction of the study texts, and study planning. Data were gathered to test the hypothesis that study question use would be…

  2. Case Study: Testing with Case Studies

    ERIC Educational Resources Information Center

    Herreid, Clyde Freeman

    2015-01-01

    This column provides original articles on innovations in case study teaching, assessment of the method, as well as case studies with teaching notes. This month's issue discusses using case studies to test for knowledge or lessons learned.

  3. Mössbauer investigation of iron uptake in wheat

    NASA Astrophysics Data System (ADS)

    Kovács, K.; Kuzmann, E.; Fodor, F.; Cseh, E.; Homonnay, Z.; Vértes, A.

    2008-07-01

    Iron uptake and distribution in wheat roots were studied with 57Fe Mössbauer spectroscopy. Plants were grown both in iron sufficient and in iron deficient nutrient solutions. Mössbauer spectra of the frozen iron sufficient roots exhibited three iron(III) components with the typical average Mössbauer parameters of δ = 0.50 mm s - 1, Δ = 0.43 mm s - 1, δ = 0.50 mm s - 1, Δ = 0.75 mm s - 1 and δ = 0.50 mm s - 1, Δ = 1.20 mm s - 1 at 80 K. These doublets are very similar to those obtained earlier for cucumber [0], which allows us to suppose that iron is stored in a very similar way in different plants. No ferrous iron could be identified in any case, not even in the iron deficient roots, which confirms the mechanism proposed for iron uptake in the graminaceous plants.

  4. Nuclear resonance vibrational spectroscopy (NRVS) of rubredoxin and MoFe protein crystals

    PubMed Central

    Guo, Yisong; Brecht, Eric; Aznavour, Kristen; Nix, Jay C.; Xiao, Yuming; Wang, Hongxin; George, Simon J.; Bau, Robert; Keable, Stephen; Peters, John W.; Adams, Michael W.W.; Jenney, Francis; Sturhahn, Wolfgang; Alp, Ercan E.; Zhao, Jiyong; Yoda, Yoshitaka; Cramer, Stephen P.

    2014-01-01

    We have applied 57Fe nuclear resonance vibrational spectroscopy (NRVS) for the first time to study the dynamics of Fe centers in Fe-S protein crystals, including oxidized wild type rubredoxin crystals from Pyrococcus furiosus, and the MoFe protein of nitrogenase from Azotobacter vinelandii. Thanks to the NRVS selection rule, selectively probed vibrational modes have been observed in both oriented rubredoxin and MoFe protein crystals. The NRVS work was complemented by extended X-ray absorption fine structure spectroscopy (EXAFS) measurements on oxidized wild type rubredoxin crystals from Pyrococcus furiosus. The EXAFS spectra revealed the Fe-S bond length difference in oxidized Pf Rd protein, which is qualitatively consistent with the X-ray crystal structure. PMID:26052177

  5. Correction of MS data for naturally occurring isotopes in isotope labelling experiments.

    PubMed

    Millard, Pierre; Letisse, Fabien; Sokol, Serguei; Portais, Jean-Charles

    2014-01-01

    Mass spectrometry (MS) in combination with isotope labelling experiments is widely used for investigations of metabolism and other biological processes. Quantitative applications-e.g., (13)C metabolic flux analysis-require correction of raw MS data (isotopic clusters) for the contribution of all naturally abundant isotopes. This chapter describes how to perform such correction using the software IsoCor. This flexible, user-friendly software can be used to exploit any isotopic tracer, from well-known ((13)C, (15)N, (18)O, etc.) to unusual ((57)Fe, (77)Se, etc.) isotopes. It also provides options-e.g., correction for the isotopic purity of the tracer-to improve the accuracy of quantitative isotopic studies, and allows automated correction of large datasets that can be collected with modern MS methods.

  6. Thermally-induced solid state transformation of β‐Fe{sub 2}O{sub 3} nanoparticles in various atmospheres

    SciTech Connect

    Malina, Ondrej Kaslik, Josef Tucek, Jiri Cuda, Jan Medrik, Ivo Zboril, Radek

    2014-10-27

    To date, iron oxides have become one of the most studied nanomaterials due to their interesting and aaplication appealing physical, chemical, and biological properties in comparison with their bulk counterparts. In general, four forms of iron(III) oxide can be distinguished depending on their crystallographic and magnetic properties. In this work, one of the rare phases of iron(III) oxide, β‐Fe{sub 2}O{sub 3}, prepared by the solid state reaction was explored for the thermal transformations in various ambient atmospheres, including O{sub 2}, N{sub 2}, and CO{sub 2} atmospheres. The thermally treated products were investigated employing X-ray powder diffraction and {sup 57}Fe Mössbauer spectroscopy.

  7. Anomalies in magnetoelastic properties of DyFe{sub 11.2}Nb{sub 0.8} compound

    SciTech Connect

    Wang, J. L.; Md Din, M. F.; Cheng, Z. X.; Dou, S. X.; Kennedy, S. J.; Campbell, S. J.; Kimpton, J. A.

    2015-05-07

    The structural and magnetic properties of DyFe{sub 11.2}Nb{sub 0.8} compound have been investigated by high intensity, high resolution synchrotron x-ray diffraction, ac magnetic susceptibility, and dc magnetization measurements as well as Mössbauer spectroscopy (5–300 K). The easy magnetization direction at room temperature is along the c-axis. With decreasing temperature, the magnetocrystalline anisotropy changes from easy-axis to easy-cone at T{sub sr2} (∼202 K), then to easy plane at T{sub sr1} (∼94 K). The thermal expansion coefficient obtained from the synchrotron x-ray study exhibits clear anomalies around both of the spin reorientation transition temperatures. The {sup 57}Fe hyperfine interaction parameters and magnetic moments values have been determined for the 8i, 8j, and 8f sites from the Mössbauer spectra.

  8. The features of structural transformations in lanthanum manganites La{sub 1−x}A{sub x}MnO{sub 3+δ} (A = Ca, Sr, Ba)

    SciTech Connect

    Sedykh, Vera D.

    2014-10-27

    In this work, the effect of the ionic radius and concentration of a doping element on the features of the structural transformations in polycrystalline lanthanum manganites, La{sub 1−x}A{sub x}MnO{sub 3+δ} (A = Ca, Sr, Ba), has been studied by Mössbauer spectroscopy and X-ray diffraction analysis. For Mössbauer investigations, a small amount of {sup 57}Fe (2 at%) Mössbauer isotope was introduced into the samples. It follows from the analysis of the obtained data that both common features of the structural transformations and differences between them exist in lanthanum manganites depending on ionic radius and concentration of a doping element.

  9. Nuclear resonance vibrational spectroscopy (NRVS) of rubredoxin and MoFe protein crystals

    NASA Astrophysics Data System (ADS)

    Guo, Yisong; Brecht, Eric; Aznavour, Kristen; Nix, Jay C.; Xiao, Yuming; Wang, Hongxin; George, Simon J.; Bau, Robert; Keable, Stephen; Peters, John W.; Adams, Michael W. W.; , Francis E. Jenney, Jr.; Sturhahn, Wolfgang; Alp, Ercan E.; Zhao, Jiyong; Yoda, Yoshitaka; Cramer, Stephen P.

    2013-12-01

    We have applied 57Fe nuclear resonance vibrational spectroscopy (NRVS) for the first time to study the dynamics of Fe centers in Iron-sulfur protein crystals, including oxidized wild type rubredoxin crystals from Pyrococcus furiosus, and the MoFe protein of nitrogenase from Azotobacter vinelandii. Thanks to the NRVS selection rule, selectively probed vibrational modes have been observed in both oriented rubredoxin and MoFe protein crystals. The NRVS work was complemented by extended X-ray absorption fine structure spectroscopy (EXAFS) measurements on oxidized wild type rubredoxin crystals from Pyrococcus furiosus. The EXAFS spectra revealed the Fe-S bond length difference in oxidized Pf Rd protein, which is qualitatively consistent with the crystal structure.

  10. Baseline metals pollution profile of tropical estuaries and coastal waters of the Straits of Malacca.

    PubMed

    Looi, Ley Juen; Aris, Ahmad Zaharin; Wan Johari, Wan Lutfi; Md Yusoff, Fatimah; Hashim, Zailina

    2013-09-15

    The status report on metal pollution in tropical estuaries and coastal waters is important to understand potential environmental health hazards. Detailed baseline measurements were made on physicochemical parameters (pH, temperature, redox potential, electrical conductivity, salinity, dissolved oxygen, total dissolved solid), major ions (Na, Ca, Mg, K, HCO3, Cl, SO4 and NO3) and metals concentrations ((27)Al, (75)As, (138)Ba, (9)Be, (111)Cd, (59)Co, (63)Cu, (52)Cr, (57)Fe, (55)Mn, (60)Ni, (208)Pb, (80)Se, (66)Zn) at estuaries and coastal waters along the Straits of Malacca. Principal component analysis (PCA) was employed to reveal potential pollution sources. Seven principal components were extracted with relation to pollution contribution from minerals-related parameters, natural and anthropogenic sources. The output from this study will generate a profound understanding on the metal pollution status and pollution risk of the estuaries and coastal system.

  11. Quantitative measurement of cyanide species in simulated ferrocyanide Hanford waste

    SciTech Connect

    Bryan, S.A.; Pool, K.H.; Matheson, J.D.

    1993-02-01

    Analytical methods for the quantification of cyanide species in Hanford simulated high-level radioactive waste were pursued in this work. Methods studied include infrared spectroscopy (solid state and solution), Raman spectroscopy, Moessbauer spectroscopy, X-ray diffraction, scanning electron microscopy-electron dispersive spectroscopy (SEM-EDS), and ion chromatography. Of these, infrared, Raman, X-ray diffraction, and ion chromatography techniques show promise in the concentration range of interest. Quantitation limits for these latter four techniques were demonstrated to be approximately 0.1 wt% (as cyanide) using simulated Hanford wastes.

  12. Characterization of the Fe Site in Iron-Sulfur-Cluster-Free Hydrogenase (Hmd) and of a Model Compound via Nuclear Resonance Vibrational Spectroscopy (NRVS)

    PubMed Central

    Guo, Yisong; Wang, Hongxin; Xiao, Yuming; vogt, Sonja; Shima, Seigo; Volkers, Phillip I.; Pelmentschikov, Vladimir; Alp, Ercan E.; Sturhahn, Wolfgang; Yada, Yoshitaka

    2009-01-01

    We have used 57Fe nuclear resonance vibrational spectroscopy (NRVS) to study the iron site in the iron-sulfur-cluster-free hydrogenase Hmd from the methanogenic archaeon Methanothermobacter marburgensis. The spectra have been interpreted by comparison with a cis-(CO)2-ligated Fe model compound, Fe(S2C2H4)(CO)2(PMe3)2, as well as by normal mode simulations of plausible active site structures. For this model complex, normal mode analyses both from an optimized Urey-Bradley force field and from complementary density functional theory (DFT) calculations produced consistent results. Previous IR spectroscopic studies found strong CO stretching modes at 1944 and 2011 cm−1, interpreted as evidence for cis-Fe(CO)2 ligation. The NRVS data provide further insight into the dynamics of the Fe site, revealing Fe-CO stretch and Fe-CO bend modes at 494, 562, 590, and 648 cm−1, consistent with the proposed cis-Fe(CO)2 ligation. The NRVS also reveals a band assigned to Fe-S stretching motion at ~311 cm−1, and another reproducible feature at ~380 cm−1. The 57Fe partial vibrational densities of states (PVDOS) for Hmd can be reasonably well simulated by a normal mode analysis based on a Urey-Bradley force field for a 5-coordinate cis-(CO)2-ligated Fe site with additional cysteine, water, and pyridone cofactor ligands. A final interpretation of the Hmd NRVS data, including DFT analysis, awaits a 3-dimensional structure for the active site. PMID:18407624

  13. Absence of the hyperfine magnetic field at the Ru site in ferromagnetic rare-earth intermetallics

    SciTech Connect

    Coffey, D.; DeMarco, M.; Ho, P. C.; Maple, M. B.; Sayles, T.; Lynn, J. W.; Huang, Q.; Toorongian, S.; Haka, M.

    2010-05-01

    The Moessbauer effect (ME) is frequently used to investigate magnetically ordered systems. One usually assumes that the magnetic order induces a hyperfine magnetic field, B{sub hyperfine}, at the ME active site. This is the case in the ruthenates, where the temperature dependence of B{sub hyperfine} at {sup 99}Ru sites tracks the temperature dependence of the ferromagnetic or antiferromagnetic order. However this does not happen in the rare-earth intermetallics, GdRu{sub 2} and HoRu{sub 2}. Specific heat, magnetization, magnetic susceptibility, Moessbauer effect, and neutron diffraction have been used to study the nature of the magnetic order in these materials. Both materials are found to order ferromagnetically at 83.1 and 15.3 K, respectively. Despite the ferromagnetic order of the rare-earth moments in both systems, there is no evidence of a correspondingly large B{sub hyperfine} in the Moessbauer spectrum at the Ru site. Instead the measured spectra consist of a narrow peak at all temperatures which points to the absence of magnetic order. To understand the surprising absence of a transferred hyperfine magnetic field, we carried out ab initio calculations which show that spin polarization is present only on the rare-earth site. The electron spin at the Ru sites is effectively unpolarized and, as a result, B{sub hyperfine} is very small at those sites. This occurs because the 4d Ru electrons form broad conduction bands rather than localized moments. These 4d conduction bands are polarized in the region of the Fermi energy and mediate the interaction between the localized rare-earth moments.

  14. Structural characterization, thermal, spectroscopic and magnetic studies of the (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Mn{sub 1.50}{sup II}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] and (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Co{sub 1.50}{sup II}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] compounds

    SciTech Connect

    Bazan, B.

    2008-05-06

    The (C{sub 3}H{sub 12}N{sub 2}){sub 0.94}[Mn{sub 1.50}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] and (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Co{sub 1.50}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] compounds 1 and 2 have been synthesized using mild hydrothermal conditions. These phases are isostructural with (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Fe{sub 1.5}{sup II}Fe{sub 1.5}{sup III}(AsO{sub 4})F{sub 6}]. The compounds crystallize in the orthorhombic Imam space group. The unit cell parameters calculated by using the patterns matching routine of the FULPROOF program, starting from the cell parameters of the iron(II),(III) phase, are: a 7.727(1) A, b = 11.047(1) A, c = 13.412(1) A for 1 and a = 7.560(1) A, b 11.012(1) A, c = 13.206(1) A for 2, being Z = 8 in both compounds. The crystal structure consists of a three-dimensional framework constructed from edge-sharing [M{sup II}(1){sub 2}O{sub 2}F{sub 8}] (M = Mn, Co) dimeric octahedra linked to [Fe{sup III}(2)O{sub 2}F{sub 4}] octahedra through the F(1) anions and to the [AsO{sub 4}] tetrahedra by the O(1) vertex. This network gives rise two kinds of chains, which are extended in perpendicular directions. Chain 1 is extended along the a-axis and chain 2 runs along the c-axis. These chains are linked by the F(1) and O(1) atoms and establish cavities delimited by eight or six polyhedra along the [1 0 0] and [0 0 1] directions, respectively. The propanediammonium cations are located inside these cavities. The thermal study indicates that the structures collapse with the calcination of the organic dication at 255 and 285 deg. C for 1 and 2, respectively. The Moessbauer spectra in the paramagnetic state indicate the existence of two crystallographically independent positions for the iron(III) cations and a small proportion of this cation in the positions of the divalent Mn(II) and Co(II) ones. The IR spectrum shows the protonated bands of the H{sub 2}N- groups of the propanediamine molecule and the characteristic bands of the

  15. Flooding Impairs Fe Uptake and Distribution in Citrus Due to the Strong Down-Regulation of Genes Involved in Strategy I Responses to Fe Deficiency in Roots

    PubMed Central

    Martínez-Cuenca, Mary-Rus; Quiñones, Ana; Primo-Millo, Eduardo; Forner-Giner, M. Ángeles

    2015-01-01

    This work determines the ffects of long-term anoxia conditions—21 days—on Strategy I responses to iron (Fe) deficiency in Citrus and its impact on Fe uptake and distribution. The study was carried out in Citrus aurantium L. seedlings grown under flooding conditions (S) and in both the presence (+Fe) and absence of Fe (-Fe) in nutritive solution. The results revealed a strong down-regulation (more than 65%) of genes HA1 and FRO2 coding for enzymes proton-ATPase and Ferric-Chelate Reductase (FC-R), respectively, in –FeS plants when compared with –Fe ones. H+-extrusion and FC-R activity analyses confirmed the genetic results, indicating that flooding stress markedly repressed acidification and reduction responses to Fe deficiency (3.1- and 2.0-fold, respectively). Waterlogging reduced by half Fe concentration in +FeS roots, which led to 30% up-regulation of Fe transporter IRT1, although this effect was unable to improve Fe absorption. Consequently, flooding inhibited 57Fe uptake in +Fe and –Fe seedlings (29.8 and 66.2%, respectively) and 57Fe distribution to aerial part (30.6 and 72.3%, respectively). This evidences that the synergistic action of both enzymes H+-ATPase and FC-R is the preferential regulator of the Fe acquisition system under flooding conditions and, hence, their inactivation implies a limiting factor of citrus in their Fe-deficiency tolerance in waterlogged soils. PMID:25897804

  16. Dynamics of the [4Fe-4S] Cluster in Pyrococcus furiosus D14C Ferredoxin via Nuclear Resonance Vibrational and Resonance Raman Spectroscopies, Force Field Simulations, and Density Functional Theory Calculations

    PubMed Central

    Mitra, Devrani; Pelmenschikov, Vladimir; Guo, Yisong; Case, David A.; Wang, Hongxin; Dong, Weibing; Tan, Ming-Liang; Ichiye, Toshiko; Jenney, Francis E.; Adams, Michael W. W.; Yoda, Yoshitaka; Zhao, Jiyong; Cramer, Stephen P.

    2011-01-01

    We have used 57Fe nuclear resonance vibrational spectroscopy (NRVS) to study oxidized and reduced forms of the [4Fe-4S] cluster in the D14C variant ferredoxin from Pyrococcus furiosus (Pf D14C Fd). To assist the normal mode assignments, we recorded the NRVS of D14C ferredoxin samples with 36S substituted into the [4Fe-4S] cluster bridging sulfide positions, and a model compound without ligand side chains: (Ph4P)2[Fe4S4Cl4]. Several distinct regions of NRVS intensity are identified, ranging from `protein' and torsional modes below 100 cm−1, through bending and breathing modes near 150 cm−1, to strong bands from Fe-S stretching modes between 250 cm−1 and ~400 cm−1. The oxidized ferredoxin samples were also investigated by resonance Raman (RR) spectroscopy. We found good agreement between NRVS and RR frequencies, but because of different selection rules, the intensities vary dramatically between the two types of spectra. The 57Fe partial vibrational densities of states (PVDOS) for the oxidized samples were interpreted by normal mode analysis with optimization of Urey-Bradley force fields for local models of the [4Fe-4S] clusters. Full protein model calculations were also conducted using a supplemented CHARMM force field, and these calculations revealed low frequency modes that may be relevant to electron transfer with Pf Fd partners. Density functional theory (DFT) calculations complemented these empirical analyses, and DFT was used to estimate the reorganization energy associated with the [Fe4S4]2+/1+ redox cycle. Overall, the NRVS technique demonstrates great promise for the observation and quantitative interpretation of the dynamical properties of Fe-S proteins. PMID:21500788

  17. Paraguayan Education Study: A Pilot Study.

    ERIC Educational Resources Information Center

    Garcia, Patricia

    A qualitative pilot study, guided by an ecological framework, illustrates the complexities involved in studying the unique linguistic situation in Paraguay between Spanish and the indigenous language of Guarani, and its relationship with education. The pilot study interviewing eight kindergarten children. Seventy five children have been…

  18. Case Study: Writing a Journal Case Study

    ERIC Educational Resources Information Center

    Prud'homme-Genereux, Annie

    2016-01-01

    This column provides original articles on innovations in case study teaching, assessment of the method, as well as case studies with teaching notes. This month's issue describes incorporating a journal article into the classroom by first converting it into a case study.

  19. Ecological baseline studies

    NASA Technical Reports Server (NTRS)

    Vickers, D.

    1980-01-01

    Environmental studies of Merritt Island are discussed. Five areas of the island's ecology are examined. They include: a terrestrial community analyses, a plant community study, a small mammal population study, a rainfall study, and an ichthyological analyses.

  20. NdBaFe{sub 2}O{sub 5+w} and steric effect of Nd on valence mixing and ordering of Fe

    SciTech Connect

    Linden, J.; Karen, P.

    2010-11-15

    NdBaFe{sub 2}O{sub 5} above and below Verwey transition is studied by synchrotron X-ray powder diffraction and Moessbauer spectroscopy and compared with GdBaFe{sub 2}O{sub 5} that adopts a higher-symmetry charge-ordered structure typical of the Sm-Ho variants of the title phase. Differences are investigated by Moessbauer spectroscopy accounting for iron valence states at their local magnetic and ionic environments. In the charge-ordered state, the orientation of the electric-field gradient (EFG) versus the internal magnetic field (B) agrees with experiment only when contribution from charges of the ordered d{sub xz} orbitals of Fe{sup 2+} is included, proving thus the orbital ordering. The EFG magnitude indicates that only some 60% of the orbital order occurring in the Sm-Ho variants is achieved in NdBaFe{sub 2}O{sub 5}. The consequent diminishing of the orbit contribution (of opposite sign) to the field B at the Fe{sup 2+} nucleus explains why B is larger than for the Sm-Ho variants. The decreased orbital ordering in NdBaFe{sub 2}O{sub 5} causes a corresponding decrease in charge ordering, which is achieved by decreasing both the amount of the charge-ordered iron states in the sample and their fractional valence separation as seen by the Moessbauer isomer shift. The charge ordering in NdBaFe{sub 2}O{sub 5+w} is more easily suppressed by the oxygen nonstoichiometry (w) than in the Sm-Ho variants. Also the valence mixing into Fe{sup 2.5+} is destabilized by the large size of Nd. The orientation of the EFG around this valence-mixed iron can only be accounted for when the valence-mixing electron is included in the electrostatic ligand field. This proves that the valence mixing occurs between the two iron atoms facing each other across the structural plane of the rare-earth atoms. -- Graphical Abstract: Moessbauer spectrum detects ordering of d{sub xz} orbitals of Fe{sup II}O{sub 5} via the electric-field gradient (EFG) of the orbital, which makes the main component of

  1. Ethnographic Study: @ONE Technology Training Project Study.

    ERIC Educational Resources Information Center

    Obler, Susan; Schiorring, Eva

    This report presents findings from an ethnographic study of technology integration and diffusion in two California community colleges. The study was commissioned to examine whether faculty behavior and student learning outcomes have changed as a result of @ONE instructional technology training and resources. The California Community Colleges…

  2. Learning to Study: Study Skills/Study Strategies. Book H.

    ERIC Educational Resources Information Center

    Mangrum, Charles T., II

    This workbook is one of a series that provides students with examples of location skills, organizational skills, interpretation skills, retention skills, test-taking skills, rate skills, and study strategies. Location skills include locating general reference sources and reviewing the card catalog system and the Dewey decimal system.…

  3. Study of multiphasic molybdate-based catalysts. II. Synergy effect between bismuth molybdates and mixed iron and cobalt molybdates in mild oxidation of propene

    SciTech Connect

    Millet, J.M.M.; Ponceblanc, H.; Coudurier, G.; Vedrine, J.C. ); Herrmann, J.M. )

    1993-08-01

    Results are reported concerning the synergy effect observed in the oxidation of propene to acrolein over bismuth and mixed iron and cobalt molybdates. The pure bismuth, iron, and cobalt molybdates and mixed cobalt and iron molybdates (solid solutions) have been prepared and individually tested as catalysts. Mechanical mixtures of these phases have been prepared and tested as catalysts. All the catalysts have been characterized before and after the catalytic reaction by several techniques such as ESR, XPS, EDX-STEM, TEM, XRD, and Moessbauer and UV spectroscopies. The synergy effect observed is tentatively explained as due to the deposition on the large bismuth molybdate particles of smaller mixed iron and cobalt molybdate particles with spreading of the bismuth molybdate over the latter particles. It is proposed that the Fe[sub x]Co[sub 1-x]MoO[sub 4] phase plays the role of the fast electron conducting material which enhances the electron mobility and the efficiency of the redox mechanism, the active and selective phase being the overlying bismuth molybdate compounds. 27 refs., 5 figs., 7 tabs.

  4. Transition metal oxide pillared clay. 1: A comparative study of textural and acidic properties of Fe(III) pillared montmorillonite and pillared acid activated montmorillonite

    SciTech Connect

    Mishra, T.; Parida, K.M.; Rao, S.B.

    1996-10-15

    Fe(III) pillared montmorillonite samples have been prepared by intercalating trinuclear acetato hydroxy-iron (III) nitrate [Fe(COOCH{sub 3}){sub 7}OH 2H{sub 2}O]{sup +} NO{sub 3}{sup {minus}} between the layers of both Na-exchanged and acid-activated montmorillonite, followed by calcination and characterized by various techniques. The multistep ion exchange process gave better complex loading than the single step process. FTIR and Moessbauer spectral analysis showed the presence of the complex inside the silicate layers. Materials prepared from the two starting materials are thermally stable up to 500 C, having basal spacings of 18.0 and 17.6 {angstrom} and high surface areas of 284 and 276 m{sup 2}/g, respectively. The acid-activated pillared montmorillonite shows somewhat low complex intake, but has high acidity in comparison to the Na-exchanged material. Iron oxide pillared clay has gained considerable importance as it can be used in demetalization, reduction of NO by NH{sub 3}, and Fischer-Tropsch reactions.

  5. Effect of the water-vapor content on the oxidative desulfurization of sulfur-rich coal

    SciTech Connect

    S. Pysh'yev; K. Shevchuk; L. Chmielarz; P. Kutrowski; A. Pattek-Janczyk

    2007-01-15

    Ukrainian sulfur-rich coal containing about 3.6 mass % of sulfur was studied. The desulfurization process was performed in the fluidized-bed reactor in dry (4 vol % of H{sub 2}O vapor) and wet (30-70 vol % of H{sub 2}O vapor) atmospheres in the temperature range of 350-450{sup o}C. A significant influence of the water-vapor content in the reaction mixture on the sulfur removal during the oxidative desulfurization of the coal was observed especially at low temperatures. The extent of FeS{sub 2} oxidation, the main sulfur-containing compound, was studied by Moessbauer spectroscopy. The Moessbauer data revealed different iron-containing products (FeSO{sub 4}nH{sub 2}O, Fe{sub 2}O{sub 3}, Fe{sub 3}O{sub 4}, and Fe{sub 1-x}S) formed in the course of the process carried out in dry and wet atmospheres. The promoting effect of water vapor on the pyrite transformation was observed especially at low temperatures. The mechanism of this promotion on the molecular scale was proposed. 19 refs., 6 figs., 4 tabs.

  6. Southeastern Cancer Study Group: breast cancer studies

    SciTech Connect

    Smalley, R.V.; Bartolucci, A.A.; Moore, M.

    1983-12-01

    During the past 10 years, the Southeastern Cancer Study Group (SECSG) has been engaged in one major adjuvant study and three major advanced disease studies for patients with adenocarcinoma of the breast. The adjuvant study is demonstrating that six months of adjuvant CMF is the therapeutic equivalent of 12 months and that post-operative irradiation is of no added therapeutic benefit. In patients with advanced disease, a low dose 5 drug combination of CMFVP induces more objective responses than single agent 5FU, but improves survival only for those patients with liver metastases when compared to the sequential use of the same 5 single agents. The three drug combination, CAF, utilizing doxorubicin, induces more objective responses than low dose CMFVP, but it does not improve overall survival. The addition of a phase active combination, CAMELEON, (i.e., sequentially alternating therapy) of CAF has not improved the duration of disease control and survival for patients with liver metastases, lymphangitic and nodular lung metastases compared to CAF. Aggressive combination chemotherapeutic approaches to patients with advanced disease provide better and longer disease and tumor control but only marginal improvements in overall survival. Adding additional agents to a maximally tolerable regimen has not improved the therapeutic outcome.

  7. Habitat Study. Transect Study. [Environmental Education Units.

    ERIC Educational Resources Information Center

    Minneapolis Independent School District 275, Minn.

    These three documents outline teaching activities intended to involve children with their environment. Suggested preliminary studies to motivate and familiarize elementary school students with some characteristics of organisms and their physical environment are followed by descriptions of class activities that may be undertaken in the field.…

  8. Using a dual-stable isotope tracer method to study the uptake, xylem transport and distribution of Fe and its chelating agent from stereoisomers of an Fe(III)-chelate used as fertilizer in Fe-deficient Strategy I plants.

    PubMed

    Orera, Irene; Rodríguez-Castrillón, José A; Moldovan, Mariella; García-Alonso, José I; Abadía, Anunciación; Abadía, Javier; Alvarez-Fernández, Ana

    2010-09-01

    A dual-stable isotope tracer experiment was carried out with Fe-deficient sugar beet plants grown hydroponically and resupplied with differentially Fe labeled racemic and meso Fe(iii)-chelates of the ethylendiamine di(o-hydroxyphenylacetic) acid (o,oEDDHA). No short-term Fe isotope exchange reactions occurred in the nutrient solution and plants did not discriminate between (54)Fe and (57)Fe. After 3-6 h, stable Fe isotopes, chelating agents and chelates were analyzed in roots, xylem sap and leaves by ICP-MS and HPLC-ESI/TOFMS. Ferric chelate reductase rates, xylem transport and total uptake were 2-fold higher with the meso isomer than with the racemic one. Both chelating agent isomers were incorporated and distributed by plants at similar rates, in amounts one order of magnitude lower than those of Fe. After 6 h of Fe resupply, most of the Fe acquired was localized in roots, whereas most of the chelating agent was in leaves. In a separate experiment, Fe-deficient sugar beet and tomato plants were treated with different concentrations of Fe(iii)-o,oEDDHA (with a meso/racemic ratio of 1). The xylem sap Fe concentration at 24 h was unaffected by the chelate concentration, with xylem Fe(iii)-o,oEDDHA accounting for 1-18% of total Fe and xylem meso/racemic ratio close to 1. Although most of the Fe coming from Fe(iii)-o,oEDDHA was taken up through a reductive dissociative mechanism, a small part of the Fe may be taken up via non-dissociative mechanisms. PMID:21072356

  9. Toxicological study of Fluorosilicone

    SciTech Connect

    London, J.E.

    1986-05-01

    Fluorosilicone was nonirritating in rabbit eye application studies. Primary skin irritation studies in the rabbit showed the material to be a mild irritant. The materials did not induce sensitization in the guinea pig assay. 2 refs., 1 tab.

  10. Excellence in Social Studies.

    ERIC Educational Resources Information Center

    Durfee, David A.

    1986-01-01

    Discusses a strategy for unifying and improving the social studies curriculum through an "outcomes sought" approach. Outlines eight measurable qualities students completing social studies should have achieved. Discusses implications of this approach. (LP)

  11. Esophagram (Barium Swallow Study)

    MedlinePlus

    ... esophagram is a study that is completed in radiology. The test evaluates the esophagus. The esophagus is ... to wear. The study is completed in a radiology (x-ray/fluoroscopy) room. If a child is ...

  12. The Study of Algae

    ERIC Educational Resources Information Center

    Rushforth, Samuel R.

    1977-01-01

    Included in this introduction to the study of algae are drawings of commonly encountered freshwater algae, a summary of the importance of algae, descriptions of the seven major groups of algae, and techniques for collection and study of algae. (CS)

  13. Chemical Industry Bandwidth Study

    SciTech Connect

    none,

    2006-12-01

    The Chemical Bandwidth Study provides a snapshot of potentially recoverable energy losses during chemical manufacturing. The advantage of this study is the use of "exergy" analysis as a tool for pinpointing inefficiencies.

  14. Chesapeake Bay study

    NASA Technical Reports Server (NTRS)

    Love, W. J.

    1972-01-01

    The objectives and scope of the Chesapeake Bay study are discussed. The physical, chemical, biological, political, and social phenomena of concern to the Chesapeake Bay area are included in the study. The construction of a model of the bay which will provide a means of accurately studying the interaction of the ecological factors is described. The application of the study by management organizations for development, enhancement, conservation, preservation, and restoration of the resources is examined.

  15. Satellite servicing economic study

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Previous studies have shown that satellite servicing is cost effective; however, all of these studies were of different formats, dollar year, learning rates, availability, etc. Threfore, it was difficult to correlate any useful trends from these studies. The reviewed study was initiated to correlate the economic data into a common data base, using a common set of assumptions. A selected set of existed funded programs was then analyzed to provide an independent analysis of the servicing options and potential economic benefits.

  16. Satellite servicing economic study

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Previous studies have shown that satellite servicing is cost effective; however, all of these studies were of different formats, dollar year, learning rates, availability, etc. Therefore, it was difficult to correlate any useful trends from these studies. The reviewed study was initiated to correlate the economic data into a common data base, using a common set of assumptions. A selected set of existed funded programs was then analyzed to provide an independent analysis of the servicing options and potential economic benefits.

  17. Developing Environmental Study Areas.

    ERIC Educational Resources Information Center

    Wert, Jonathan M.

    This publication is designed to help the teacher in developing environmental study areas. Numerous examples of study areas, including airports, lakes, shopping centers, and zoos, are listed. A current definition of environmental study areas is given and guidelines for their development and identification are included. The appendix, which comprises…

  18. The Georgia Centenarian Study.

    ERIC Educational Resources Information Center

    Poon, Leonard W.; And Others

    1992-01-01

    Presents theoretical rationale, hypotheses, models, and methods and procedures of Georgia Centenarian Study, interdisciplinary study of oldest-old which began in 1988 to investigate adaptational characteristics of long-lived individuals. Introduces other articles in journal issue: first four reports of study, summarizing data collected in first…

  19. Critical Education Studies

    ERIC Educational Resources Information Center

    Boxley, Simon

    2015-01-01

    Education Studies as an academic discipline within HE in the UK is a contested area. One thing most Education Studies programmes might agree on is that they are "critical". But what is a genuinely critical Education Studies degree? And, how could such a programme survive within the hostile neoliberal environment of the contemporary UK?…

  20. Nebraska Social Studies Statutes.

    ERIC Educational Resources Information Center

    Nebraska State Dept. of Education, Lincoln.

    This booklet lists the laws that relate to Nebraska social studies. The volume is intended for administrators, teachers, and curriculum planners to assist them to do a more thorough job of planning social studies programs. The Nebraska Social Studies Statutes are designed to be a primary tool in developing a district's curriculum, as they speak to…

  1. Why Study Italian?

    ERIC Educational Resources Information Center

    Haines, Charles

    1978-01-01

    One studies Italian for the same reason one studies any language--to become educated. Even more than for art and music, Italian is necessary for literature. Dante must be read, and in the original. Further, we study Italian to know our cultural roots and heritage. (AMH)

  2. Vacation Study Abroad.

    ERIC Educational Resources Information Center

    Howard, E. Marguerite, Ed.

    A guide to summer study abroad is presented with information on how to plan rewarding summer study and travel overseas. Concise descriptions of over 1300 postsecondary study programs worldwide (in over 65 countries) sponsored by U.S. and foreign universities and institutions are included with details on program sponsor and name, location, dates,…

  3. Social Psychoanalytic Disability Studies

    ERIC Educational Resources Information Center

    Goodley, Dan

    2011-01-01

    This paper explores connections and tensions between psychoanalysis and disability studies. The first part of the paper considers contemporaneous engagements with the psyche by a number of disability studies writers. These scholars have remained accountable to a politicised disability studies but have pushed for critical encounters with the…

  4. Effective Elementary Social Studies.

    ERIC Educational Resources Information Center

    Hoge, John Douglas

    This book advocates providing high-quality K-6 social studies instruction. The text provides practical information on how teachers can conduct high-quality social studies programs in their classrooms. The volume is divided into three parts. Part 1 offers an overview of the formal and informal social studies curriculum, its history, current status,…

  5. Cave Water Studies.

    ERIC Educational Resources Information Center

    O'Keefe, Elizabeth S.

    1996-01-01

    Describes a comparative study project where seventh grade students tested water samples from 10 cave sites that had been tested 24 years ago in a study that had attempted to determine if pollution in the environment had reached cave water. Discusses lab skills and some results of the study. (JRH)

  6. Qualitative Studies: Historiographical Antecedents.

    ERIC Educational Resources Information Center

    Mills, Rilla Dean

    This paper provides an overview of qualitative studies' antecedents among historiographers and of the positivist tide which nearly engulfed them. Humans live by interpretations. The task of social science--the basic task of qualitative studies--is to study these interpretations so that we can better understand the meanings which people use to…

  7. Physics studies in Europe; a comparative study

    NASA Astrophysics Data System (ADS)

    Steenstrup, S.; Donà dalle Rose, L. F.; Jones, W. G.; Tugulea, L.; van Steenwijk, F. J.

    2002-09-01

    What are the differences and similarities between physics studies at different universities across Europe (here the definition of Europe is broad)? How much does a student have to work to obtain a degree in physics? Questions like those prompted EUPEN (European Physics Education Network) to make a survey. During 1997 and 1998 the working groups of EUPEN sent out a number of questionnaires to a number of institutions and to individual students. In this report we focus on issues relating to the workload to obtain a degree in physics as expressed in contact hours - lectures, problem solving, laboratory work - and private study time. The different teaching/learning styles are also considered. Some of the results have already been presented at conferences.

  8. Mars Aerocapture Systems Study

    NASA Technical Reports Server (NTRS)

    Wright, Henry S.; Oh, David Y.; Westhelle, Carlos H.; Fisher, Jody L.; Dyke, R. Eric; Edquist, Karl T.; Brown, James L.; Justh, Hilary L.; Munk, Michelle M.

    2006-01-01

    Mars Aerocapture Systems Study (MASS) is a detailed study of the application of aerocapture to a large Mars robotic orbiter to assess and identify key technology gaps. This study addressed use of an Opposition class return segment for use in the Mars Sample Return architecture. Study addressed mission architecture issues as well as system design. Key trade studies focused on design of aerocapture aeroshell, spacecraft design and packaging, guidance, navigation and control with simulation, computational fluid dynamics, and thermal protection system sizing. Detailed master equipment lists are included as well as a cursory cost assessment.

  9. Nanocrystallization kinetics of amorphous Fe{sub 81}B{sub 13.5}Si{sub 3.5}C{sub 2} magnetic ribbons

    SciTech Connect

    Pon-On, Weeraphat; Winotai, Pongtip; Tang, I-Ming

    2008-04-01

    The kinetics of the nanocrystallization of amorphous Fe{sub 81}B{sub 13.5}Si{sub 3.5}C{sub 2} ribbon is studied. The changes in the microstructures and magnetic properties of ribbons annealed at 425 and 495 deg. C for 0.5-10 h were investigated using an X-ray diffractometer (XRD), Moessbauer spectroscopy (MS), differential scanning calorimeter (DSC) and vibrating sample magnetometer (VSM). The changes in the surface morphology were observed by a changed atomic force microscope (AFM). The XRD patterns and the Moessbauer spectrums show the formation of nanocrystallites of {alpha}-Fe(Si), Fe-B, Fe{sub 3}C and Fe{sub 3}Si of different grain sizes when annealed at different temperatures. The nanocrystallization kinetics of the Fe{sub 81}B{sub 13.5}Si{sub 3.5}C{sub 2} ribbon are described by an Avrami growth curve with an exponent values of 1.34 and 1.01 for the isothermal annealing at 425 and 495 deg. C, respectively. AFM topography pictures and surface image show that the density of the microstructure and the size of the grain increase as higher annealing temperatures are used.

  10. Investigation of the iron site localization in doped ZnO

    SciTech Connect

    Carvalho, M.D.; Borges, R.P.; Godinho, M.

    2012-01-15

    Iron doped (5%) ZnO powders were prepared by hydrothermal and combustion methods. Subsequent heating treatments on these samples were performed under air and also under a reductive atmosphere. Powder XRD, Moessbauer spectroscopy and magnetization studies were used to characterize the products and investigate the localization of iron ions in the ZnO lattice. It was shown that a mixture with a ZnFe{sub 2}O{sub 4} type phase was obtained when the sample was prepared by the hydrothermal method, while Fe{sup 3+} occupy tetrahedral sites of the ZnO lattice in the case of the sample obtained by the combustion method. The magnetic measurements show that no ferromagnetism was detected in the iron doped ZnO compound, neither in the as prepared state nor after reduction. - Graphical abstract: Zn{sub 0.95}Fe{sub 0.05}O obtained by a combustion method and after reduction under hydrogen atmosphere. Highlights: Black-Right-Pointing-Pointer Iron doped ZnO was successfully synthesized by a combustion method. Black-Right-Pointing-Pointer The Fe{sup 3+} tetrahedral coordination was deduced from Moessbauer results. Black-Right-Pointing-Pointer The wurtzite structure was maintained after partial reduction of Fe{sup 3+} to Fe{sup 2+}.

  11. Magnesium doping on brownmillerite Ca{sub 2}FeAlO{sub 5}

    SciTech Connect

    Malveiro, J.; Ramos, T.; Ferreira, L.P.; Waerenborgh, J.C.

    2007-06-15

    Ca{sub 2}FeAl{sub 1-} {sub x} Mg {sub x} O{sub 5} (x=0, 0.05 and 0.1) compounds adopting the brownmillerite-type structure were prepared by a self-combustion route using two different fuels. Characterisation was performed using X-ray powder diffraction, Moessbauer spectroscopy, magnetisation measurements, chemical analysis, scanning electron microscopy and 4-point dc conductivity measurements. Global results indicate that the solubility limit was reached for x=0.1. An antiferromagnetic behaviour was detected for all studied compositions, with magnetic ordering temperatures of 340 and 290 K for x=0 and 0.05, respectively. Mg doping increases the number of iron cations in tetrahedral sites, which induces magnetisation enhancement at low temperatures through the coupling between octahedral iron cations in different octahedral planes. The compounds exhibit semiconductor behaviour and Mg{sup 2+} doping yields a significant enhancement of the total conductivity, which can be essentially attributed to the presence of Fe{sup 4+} ions. - Graphical abstract: Ca{sub 2}FeAl{sub 1-} {sub x} Mg {sub x} O{sub 5} (x=0, 0.05, 0.1) compounds with the brownmillerite structure were prepared and characterised. The paramagnetic Moessbauer spectra presented were obtained at T=363 K (x=0); T=297 K (x=0.05) and T=353 K (x=0.1)

  12. Advanced Clothing Studies

    NASA Technical Reports Server (NTRS)

    Orndoff, Evelyne; Poritz, Darwin

    2014-01-01

    All human space missions require significant logistical mass and volume that add an unprecedented burden on longduration missions beyond low-Earth orbit. For these missions with limited cleaning resources, a new wardrobe must be developed to reduce this logistical burden by reducing clothing mass and extending clothing wear. The present studies have been undertaken, for the first time, to measure length of wear and to assess the acceptance of such extended wear. Garments in these studies are commercially available exercise T-shirts and shorts, routine-wear T-shirts, and longsleeved pullover shirts. Fabric composition (cotton, polyester, light-weight, superfine Merino wool, modacrylic, cotton/rayon, polyester/Cocona, modacrylic/Xstatic, modacrylic/rayon, modacrylic/lyocell/aramid), construction (open knit, tight knit, open weave, tight weave), and finishing treatment (none, quaternary ammonium salt) are the independent variables. Eleven studies are reported here: five studies of exercise T-shirts, three of exercise shorts, two of routine wear Tshirts, and one of shirts used as sleep-wear. All studies are conducted in a climate-controlled environment, similar to a space vehicle's. For exercise clothing, study participants wear the garments during aerobic exercise. For routine wear clothing, study participants wear the T-shirts daily in an office or laboratory. Daily questionnaires collected data on ordinal preferences of nine sensory elements and on reason for retiring a used garment. Study 1 compares knitted cotton, polyester, and Merino exercise T-shirts (61 participants), study 2, knitted polyester, modacrylic, and polyester/Cocona exercise T-shirts (40 participants), study 3, cotton and polyester exercise shorts, knitted and woven (70 participants), all three using factorial experimental designs with and without a finishing treatment, conducted at the Johnson Space Center, sharing study participants. Study 4 compares knitted polyester and ZQ Merino exercise T

  13. Mysore study: A study of suicide notes

    PubMed Central

    Namratha, P.; Kishor, M.; Sathyanarayana Rao, T. S.; Raman, Rajesh

    2015-01-01

    Background: Suicide is one of the leading causes of preventable deaths. Recent data suggest South India as one of the regions with highest suicide rates in the world. In 2013, 134,799 people committed suicide in India according to the statistics released by the National Crime Records Bureau. Suicide note is one of the most important sources to understand suicide, which may be beneficial in suicide prevention. Studies on suicidal notes from this part of the world are sparse. Objective: The aim was to study the themes in suicide notes that might be useful in prevention strategies. Materials and Methods: A descriptive study of all suicide notes of those individuals who committed suicide between 2010 and 2013 available with Police Department, Mysore district was obtained and analyzed. Results: A total of 22 suicide note were available. A majority of suicide note was in age group of 16–40 years (86%) and most were men (59%). All suicide notes were handwritten, the majority (70%) in regional language Kannada. Length of notes varied from just few words to few pages. Contents of suicide notes included apology/shame/guilt (80%), love for those left behind (55%) and instruction regarding practical affairs (23%). Most have blamed none for the act (50%). 23% mentioned that they are committing suicide to prove their innocence. 32% mentioned a last wish. Conclusion: The majority of suicidal note contained “guilt” which is a strong indicator of possible depression in deceased. Creating awareness about suicide among public and ensuring access to professionals trained in suicide prevention is need of the hour in this part of the world. PMID:26816426

  14. Teleoperator Human Factors Study

    NASA Technical Reports Server (NTRS)

    1986-01-01

    An investigation of the spectrum of space teleoperation activities likely in the 1985 to 1995 decade focused on the resolution of critical human engineering issues and characterization of the technology effect on performance of remote human operators. The study began with the identification and documentation of a set of representative reference teleoperator tasks. For each task, technology, development, and design options, issues, and alternatives that bear on human operator performance were defined and categorized. A literature survey identified existing studies of man/machine issues. For each teleoperations category, an assessment was made of the state of knowledge on a scale from adequate to void. The tests, experiments, and analyses necessary to provide the missing elements of knowledge were then defined. A limited set of tests were actually performed, including operator selection, baseline task definition, control mode study, lighting study, camera study, and preliminary time delay study.

  15. The case study approach

    PubMed Central

    2011-01-01

    The case study approach allows in-depth, multi-faceted explorations of complex issues in their real-life settings. The value of the case study approach is well recognised in the fields of business, law and policy, but somewhat less so in health services research. Based on our experiences of conducting several health-related case studies, we reflect on the different types of case study design, the specific research questions this approach can help answer, the data sources that tend to be used, and the particular advantages and disadvantages of employing this methodological approach. The paper concludes with key pointers to aid those designing and appraising proposals for conducting case study research, and a checklist to help readers assess the quality of case study reports. PMID:21707982

  16. Research Studies & Networks

    Cancer.gov

    These epidemiological studies may assist in evaluating associations between certain pharmaceuticals and disease risk and contain detailed information on pharmaceutical use and disease risk, including cancer.

  17. Xenia Spacecraft Study

    NASA Technical Reports Server (NTRS)

    Hopkins, Randy

    2009-01-01

    This slide presentation reviews the proposed design for the Xenia mission spacecraft. The goal of this study is to perform a mission concept study for the mission. Included in this study are: the overall ground rules and assumptions (GR&A), a mission analysis, the configuration, the mass properties, the guidance, Navigation and control, the proposed avionics, the power system, the thermal protection system, the propulsion system, and the proposed structures. Conclusions from the study indicate that the observatory fits within the Falcon 9 mass and volume envelope for launching from Omelek, the pointing, slow slewing, and fast slewing requirements and the thermal requirements are met.

  18. Communications systems checkout study

    NASA Technical Reports Server (NTRS)

    Ginter, W. G.

    1972-01-01

    The results and conclusions of an engineering study of Space Station communications subsystem checkout are reported. The primary purpose of the study is to recommend specific guidelines and constraints for the design and utilization of the communications subsystem leading to a practical and effective means of onboard checkout implementation. Major study objectives are as follows: (1) identify candidate communications subsystem checkout concepts, (2) determine implementation impacts of feasible concepts, (3) evaluate practicality and effectiveness of alternative concepts, (4) propose baseline modifications to accommodate preferred concepts, and (5) recommend areas for additional investigation. In addition, study results are interpreted, where appropriate, in terms of their applicability to checkout of Shuttle-Orbiter communications subsystem.

  19. Future Spacelift Requirements Study

    NASA Technical Reports Server (NTRS)

    1997-01-01

    This study addresses future space applications and the derived requirements these potential applications will have on future spacelift systems. This NASA sponsored activity is a comprehensive study of potential missions including those of the military, civil, and commercial users. The study objectively evaluated the key architectural requirements for future launch systems. The results of this study are technical, economic, and policy analyses of future spacelift systems. It is intended to assist NASA and DOD decision-makers in planning technical investments and establishing policy for future U.S. spacelift systems.

  20. Human exploration mission studies

    NASA Technical Reports Server (NTRS)

    Cataldo, Robert L.

    1989-01-01

    The Office of Exploration has established a process whereby all NASA field centers and other NASA Headquarters offices participate in the formulation and analysis of a wide range of mission strategies. These strategies were manifested into specific scenarios or candidate case studies. The case studies provided a systematic approach into analyzing each mission element. First, each case study must address several major themes and rationale including: national pride and international prestige, advancement of scientific knowledge, a catalyst for technology, economic benefits, space enterprise, international cooperation, and education and excellence. Second, the set of candidate case studies are formulated to encompass the technology requirement limits in the life sciences, launch capabilities, space transfer, automation, and robotics in space operations, power, and propulsion. The first set of reference case studies identify three major strategies: human expeditions, science outposts, and evolutionary expansion. During the past year, four case studies were examined to explore these strategies. The expeditionary missions include the Human Expedition to Phobos and Human Expedition to Mars case studies. The Lunar Observatory and Lunar Outpost to Early Mars Evolution case studies examined the later two strategies. This set of case studies established the framework to perform detailed mission analysis and system engineering to define a host of concepts and requirements for various space systems and advanced technologies. The details of each mission are described and, specifically, the results affecting the advanced technologies required to accomplish each mission scenario are presented.

  1. Access to space studies

    NASA Technical Reports Server (NTRS)

    Martin, James A.

    1993-01-01

    The National Aeronautics and Space Administration is currently considering possible directions in Earth-to-orbit vehicle development under a study called 'Access to Space.' This agency-wide study is considering commercial launch vehicles, human transportation, space station logistics, and other space transportation requirements over the next 40 years. Three options are being considered for human transportation: continued use of the Space Shuttle; development of a small personnel carrier (personnel logistics system (PLS)); or development of an advanced vehicle such as a single-stage-to-orbit (SSTO). Several studies related to the overall Access to Space study are reported in this document.

  2. Advanced planetary studies

    NASA Technical Reports Server (NTRS)

    1977-01-01

    Results of planetary advanced studies and planning support are summarized. The scope of analyses includes cost estimation research, planetary mission performance, penetrator advanced studies, Mercury mission transport requirements, definition of super solar electric propulsion/solar sail mission discriminators, and advanced planning activities.

  3. Managerial Accounting. Study Guide.

    ERIC Educational Resources Information Center

    Plachta, Leonard E.

    This self-instructional study guide is part of the materials for a college-level programmed course in managerial accounting. The study guide is intended for use by students in conjuction with a separate textbook, Horngren's "Accounting for Management Control: An Introduction," and a workbook, Curry's "Student Guide to Accounting for Management…

  4. Lesson Study: Beyond Coaching

    ERIC Educational Resources Information Center

    Lewis, Catherine; Perry, Rebecca; Foster, David; Hurd, Jacqueline; Fisher, Linda

    2011-01-01

    The authors assert that lesson study--a collaborative, teacher-led approach to learning from practice--offers a deeper, broader, more sustainable method of improving teacher practice than one-on-one coaching does. In lesson study, teachers and coaches of all levels of experience can work together, each bringing his or her own professional…

  5. Work Sharing Case Studies.

    ERIC Educational Resources Information Center

    McCarthy, Maureen E.; And Others

    Designed to provide private sector employers with the practical information necessary to select and then to design and implement work sharing arrangements, this book presents case studies of some 36 work sharing programs. Topics covered in the case studies include the circumstances leading to adoption of the program, details of compensation and…

  6. Simulation in International Studies

    ERIC Educational Resources Information Center

    Boyer, Mark A.

    2011-01-01

    Social scientists have long worked to replicate real-world phenomena in their research and teaching environments. Unlike our biophysical science colleagues, we are faced with an area of study that is not governed by the laws of physics and other more predictable relationships. As a result, social scientists, and international studies scholars more…

  7. Qualitative Studies in HRD.

    ERIC Educational Resources Information Center

    1999

    The first of the four papers in this symposium, "What Is It Like To Be an Independent HRD Consultant?" (Alexander Ardishvili), reports on a phenomenological study that investigated the experience of being an independent HRD (human resource development) consultant through interviews with 10 successful HRD consultants. The study identified eight…

  8. Cuban Studies Newsletter.

    ERIC Educational Resources Information Center

    Pittsburgh Univ., PA. University Center for International Studies.

    This is the first issue of the Cuban Studies Newsletter, a biannual publication designed to provide comprehensive and timely communication among those interested in Cuban Studies. The purpose of the newsletter stated in a recommendation by the International Conference on Cuban Bibliography and Acquisitions, April, 1970, is to promote the scholarly…

  9. Case Study: Challenging Change.

    ERIC Educational Resources Information Center

    May, Steven K.

    2003-01-01

    Discusses a case study involving organizational change and its effect on employees. Presents three responses to the case study: "Paradox of Ordering Change: I Insist That We Work as a Team" (Paaige K. Turner); "Managing Change Is Managing Meaning" (Greg Hearn and Abraham Ninan); and "The Psychodynamics of an Organizational Change Initiative"…

  10. Brine stability study

    DOE Data Explorer

    Gary Garland

    2015-04-15

    This is a study of the brine formulations that we were using in our testing were stable over time. The data includes charts, as well as, all of the original data from the ICP-MS runs to complete this study.

  11. Contemporary American Indian Studies

    ERIC Educational Resources Information Center

    Larson, Sidner

    2009-01-01

    In his keynote address to the Fifth Annual American Indian Studies Consortium in 2005 David Wilkins began by commenting on earlier attempts to formally organize such a gathering in ways that might help establish and accredit Indian studies programs. He said he had the sense that the thrust of earlier meetings "was really an opportunity for Native…

  12. Methods of Studying Persons.

    ERIC Educational Resources Information Center

    Heinemann, Allen W.; Shontz, Franklin C.

    Conventional research strategies typically emphasize behavior-determining tendencies so strongly that the person as a whole is ignored. Research strategies for studying whole persons focus on symbolic structures, formulate specific questions in advance, study persons one at a time, use individualized measures, and regard participants as expert…

  13. Get Oriented: Study Japan.

    ERIC Educational Resources Information Center

    Parramore, Barbara M.

    1981-01-01

    Recommends that students in social studies classes be exposed to a study of Japan because of the wide array of contrasts possible between Japan and the United States. Information is presented on Japan's modernization, global status, language, decision-making processes, and ancient traditions. (DB)

  14. Study Skills and Learning.

    ERIC Educational Resources Information Center

    Marton, Ference; Svensson, Lennart

    1976-01-01

    The series of research studies contained in this project emphasize the central position of the learning process in research into teaching. The main studies under the project were based on four sets of material collected in the course of three academic years. A number of supplementary collections and processings of other material were also…

  15. Introduction to Childhood Studies

    ERIC Educational Resources Information Center

    Kehily, Mary Jane, Ed.

    2004-01-01

    Educationalists and social scientists are increasingly interested in childhood as a distinct social category, and Childhood Studies is now a recognized area of research and analysis. This book brings together the key themes of Childhood Studies in a broad and accessible introduction for students and practitioners working in this field.…

  16. International Study Tour Groups

    ERIC Educational Resources Information Center

    O'Reilly, Frances L.; Matt, John J.; McCaw, William P.; Kero, Patty; Stewart, Courtney; Haddouch, Reda

    2014-01-01

    Using the context of international study tour groups, this study examined the personal and professional transformation that occurred among host faculty and staff at The University of Montana-Missoula as a result of their interactions with traveling academics from other countries. Data were collected from participant responses (n = 27) using a…

  17. Interagency Depainting Study Status

    NASA Technical Reports Server (NTRS)

    Clark-Ingram, Marceia; Cook, Beth

    1999-01-01

    This document discusses coating removal in general. Sections of this presentation include: regulatory background, the initial parameters of the study, the current parameters of the study, stages in each sequence, preparation of the test specimen, material evaluation testing, chemical stripping, CO2 blasting, Flashjet coating removal, plastic media blasting, sodium bicarbonate wet stripping, water stripping, and wheat starch stripping.

  18. [Qualitative case study].

    PubMed

    Debout, Christophe

    2016-06-01

    The qualitative case study is a research method which enables a complex phenomenon to be explored through the identification of different factors interacting with each other. The case observed is a real situation. In the field of nursing science, it may be a clinical decision-making process. The study thereby enables the patient or health professional experience to be conceptualised. PMID:27338694

  19. Law Studies Curriculum.

    ERIC Educational Resources Information Center

    Seminole County Board of Public Instruction, Sanford, FL. Dept. of Curriculum Services.

    This law studies curriculum guide describes a course designed to provide secondary students with the opportunity to acquire an understanding of the U.S. legal process. The law studies course is intended to develop corresponding concepts and skills in conjunction with the content presented. The content areas of the curriculum include: (1)…

  20. [Rural Education Studies.

    ERIC Educational Resources Information Center

    Wright, Betty Atwell

    The Rural Education Studies albums (oversized photographs printed on heavy coated cardboard) are published in a set of 8, each of which has a separate teacher's guide to complement the contents. A comprehensive teacher's guide provides background studies for effective use of the series, as well as providing specific information and key-concepts…

  1. [Qualitative case study].

    PubMed

    Debout, Christophe

    2016-06-01

    The qualitative case study is a research method which enables a complex phenomenon to be explored through the identification of different factors interacting with each other. The case observed is a real situation. In the field of nursing science, it may be a clinical decision-making process. The study thereby enables the patient or health professional experience to be conceptualised.

  2. Energy conversion alternatives study

    NASA Technical Reports Server (NTRS)

    Shure, L. T.

    1979-01-01

    Comparison of coal based energy systems is given. Study identifies and compares various advanced energy conversion systems using coal or coal derived fuels for baselaoad electric power generation. Energy Conversion Alternatives Study (ECAS) reports provede government, industry, and general public with technically consistent basis for comparison of system's options of interest for fossilfired electric-utility application.

  3. Theorizing Iberian Studies

    ERIC Educational Resources Information Center

    Newcomb, Robert Patrick

    2015-01-01

    A growing number of scholars invested in Iberian Studies are asking how peninsular literary and cultural studies might be reimagined, and reinvigorated, by placing the Spanish and Portuguese canons into critical dialogue with each other, and with Galician, Catalan, Basque/Euskadi, and Latin American and North African immigrant writers, cultural…

  4. Nigerian Social Studies.

    ERIC Educational Resources Information Center

    Adeyemi, Michael B.

    1986-01-01

    Provides a brief history of Nigeria and describes the origin and development of present-day social studies instruction. Concludes that while Nigerian social studies instruction appears to be changing from the traditional passive approach to modern activity methods, instruction continues to be organized by traditional disciplines and motivated by…

  5. 1990 NACUBO Endowment Study.

    ERIC Educational Resources Information Center

    National Association of College and University Business Officers, Washington, DC.

    The 1990 Endowment Study of America's colleges and universities covered a broad variety of endowment issues of concern to trustees and administrators. The survey was mailed to 450 institutions and 369 institutions (82%) responded. Results of the study showed that 367 institutions had endowment assets totaling $60.1 billion. For fiscal year 1990,…

  6. Social Studies Resource Units.

    ERIC Educational Resources Information Center

    Bemiss, Clair W.

    Based on the premise that fundamental solutions to environmental problems must include social solutions, these three resource units are designed to study the interrelation of man and nature as part of the social studies curriculum. A series of inquiry questions are posed with the intent of stimulating students to find solutions to our…

  7. Cooperative Agreements Study Report.

    ERIC Educational Resources Information Center

    Lawton, R. E.; Magruder, D.

    During the 1983 meeting of the Florida Legislature, action was taken to begin a systematic study of the level of cooperation between the Florida public schools K-12 program and the community and junior colleges. The goals and objectives of the Cooperative Agreements Study were to review and compile a list of the cooperative agreements and identify…

  8. Home Study Advertising Handbook.

    ERIC Educational Resources Information Center

    Lambert, Michael P., Ed.; Welch, Sally R., Ed.

    This handbook contains a collections of nine articles on the subject of direct-response advertising. The handbook gives advice on how to create effective advertisements for home study courses. The nine articles are the following: "Overview of Home Study Advertising in the 1990s" (Michael P. Lambert); "Ad Features that Sell" (Nancie E. Robertson);…

  9. SETDA Case Studies 2012

    ERIC Educational Resources Information Center

    State Educational Technology Directors Association, 2012

    2012-01-01

    The State Educational Technology Directors Association (SETDA) published a series of case studies from 28 states to showcase examples of how ARRA EETT ("American Recovery and Reinvestment Act of 2009 Enhancing Education Through Technology") grant funds have impacted teaching and learning. SETDA collected data for the case studies through a variety…

  10. STUDIES OF TROUBLESOME CHILDREN.

    ERIC Educational Resources Information Center

    STOTT, D.H.

    TWO STUDIES ARE REPORTED AND THEIR IMPLICATIONS DISCUSSED. IN THE FIRST STUDY AN ATTEMPT WAS MADE TO AVERT DELINQUENCY IN CHILDREN (AGED 12 AND 13) BY IDENTIFYING THE DELINQUENCY PRONE AND TREATING A PORTION OF THEM BY FAMILY CASEWORK METHODS. THROUGH USE OF THE DELINQUENCY PREDICTION INSTRUMENT AND THE BRISTOL SOCIAL ADJUSTMENT GUIDES, 33…

  11. Studies of Supervisory Behavior.

    ERIC Educational Resources Information Center

    Sistrunk, Walter E.

    A series of supervisory behavior studies that began at Mississippi State University in 1980 are summarized. The studies were instigated because of interest in effective supervision and dissatisfaction with an indepth literature search of supervision literature. The theories disclosed were fragmentary, contradictory, and impractical for use by…

  12. Library Studies I Workbook.

    ERIC Educational Resources Information Center

    Frost, William J.

    Developed for use in the Library Studies I component of the Library Studies Program at Bloomsburg University (Pennsylvania), this self-paced workbook is intended to acquaint students with the Harvey A. Andruss Library and help them develop information-seeking skills. The workbook is designed to be used in conjunction with an exercise book, and…

  13. Study of strange nuclei

    SciTech Connect

    Chrien, R.E.

    1982-12-08

    A brief history of the discovery of hypernuclei is given and some recent hypernuclei studies are described. Topics include the study of p-shell hypernuclei, /sup 12/C (K/sup -/, ..pi../sup -/) experiment, and hypernuclear gamma rays. 13 references. (WHK)

  14. Social Studies Handbook, Kindergarten.

    ERIC Educational Resources Information Center

    Ventura County Superintendent of Schools, CA.

    The handbook outlines a course of study in social studies on the kindergarten level. The overall course objective is to teach children that people everywhere have certain basic needs and wants, and that how people meet these needs depends upon their environment and cultural level. Questioning techniques are used throughout the course. Questions…

  15. Management Development Study.

    ERIC Educational Resources Information Center

    Department of Transportation, Washington, DC.

    This document reports on a management development study within the Department of Transportation (DOT). The aim of the study was to develop a systematic approach to management development for military and civilian personnel. A variety of methods was used to gather data including having DOT staff members gather the information to be passed on to the…

  16. Effective Physics Study Habits

    NASA Astrophysics Data System (ADS)

    Zettili, Nouredine

    2011-04-01

    We discuss the methods of efficient study habits and how they can be used by students to help them improve learning physics. In particular, we deal with ideas pertaining to the most effective techniques needed to help students improve their physics study skills. These ideas were developed as part of Project IMPACTSEED (IMproving Physics And Chemistry Teaching in SEcondary Education), an outreach grant funded by the Alabama Commission on Higher Education. This project is motivated by a major pressing local need: A large number of high school physics teachers teach out of field. In the presentation, focus on topics such as the skills of how to develop long term memory, how to improve concentration power, how to take class notes, how to prepare for and take exams, how to study scientific subjects such as physics. We argue that the student who conscientiously uses the methods of efficient study habits will be able to achieve higher results than the student who does not; moreover, a student equipped with the proper study skills will spend much less time to learn a subject than a student who has no good study habits. The underlying issue here is not the quantity of time allocated to the study efforts by the student, but the efficiency and quality of actions. This work is supported by the Alabama Commission on Higher Education as part of IMPACTSEED grant.

  17. Molecular photoionization studies

    SciTech Connect

    Dehmer, P.M.

    1983-01-01

    This program is concerned with the study of the electronic structure of small molecules and clusters of molecules. Of particular interest is the interaction of discrete electronic states with one another and with the various ionization and dissociation continua. Since the Second Annual Meeting of the DOE-OHER Program on The Physics and Chemistry of Energy-Related Atmospheric Pollutants in April 1981, significant progress has been made in the following areas: (1) the study of the electronic structure of dimers and small clusters of rare gas atoms using photoionization techniques; (2) similar studies on clusters of CO/sub 2/ molecules; (3) the study of electronic structure of rare gas dimers and trimers using photoelectron and photoelectron-photoion coincidence techniques; (4) the investigation of the relationship between Rydberg states in atoms, van der Waals molecules, and chemically-bonded molecules; (5) the extension of the study of photoabsorption, photoionization, and predissociation processes in H/sub 2/ to the unsymmetric isotope HD; (6) the study of photoelectron spectra of H/sub 2/ and C/sub 2/H/sub 2/; (7) a review of some of the aspects of dissociation processes in small molecules; and (8) the creation of a new program to study the spectra and dynamics of the photoionization processes in small molecules using the technique of multiphoton ionization followed by mass and electron energy analysis of the product ions and electrons. Some of the highlights of this work are reviewed.

  18. [Case and studies].

    PubMed

    Schubert, András

    2015-11-15

    Case studies and case reports form an important and ever growing part of scientific and scholarly literature. The paper deals with the share and citation rate of these publication types on different fields of research. In general, evidence seems to support the opinion that an excessive number of such publications may negatively influence the impact factor of the journal. In the literature of scientometrics, case studies (at least the presence of the term "case study" in the titles of the papers) have a moderate share, but their citation rate is practically equal to that of other publication types.

  19. Decontamination solution development studies

    SciTech Connect

    Allen, R.P.; Fetrow, L.K.; Kjarmo, H.E.; Pool, K.H.

    1993-09-01

    This study was conducted for the Westinghouse Hanford Company (WHC) by Pacific Northwest Laboratory (PNL) as part of the Hanford Grout Technology Program (HGTP). The objective of this study was to identify decontamination solutions capable of removing radioactive contaminants and grout from the Grout Treatment Facility (GTF) process equipment and to determine the impact of these solutions on equipment components and disposal options. The reference grout used in this study was prepared with simulated double-shell slurry feed (DSSF) and a dry blend consisting of 40 wt % limestone flour, 28 wt % blast furnace slag, 28 wt % fly ash, and 4 wt % type I/II Portland cement.

  20. Variability study for saltstone

    SciTech Connect

    Harbour, J. R.; Edwards, T. B.; Hansen, E. K.; Williams, V. J.

    2005-10-01

    This report is a summary of the bench-scale experimental studies performed by the Savannah River National Laboratory (SRNL) for Waste Solidification Engineering (WSE) to establish the viability of a grout-based variability study. In order for a variability study to be useful, the property measurements of the fresh and cured Saltstone must be reproducible with an inherent variation that is small compared to the changes in the properties measured over the expected range of variability for a Salt Batch. This scoping task addressed the issue of reproducibility for Saltstone.