Science.gov

Sample records for 57fe moessbauer spectroscopy

  1. 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.

  2. Phase evolution in {sup 57}Fe/Al multilayers studied through dc magnetization, conversion electron Moessbauer spectroscopy, and transmission electron microscopy

    SciTech Connect

    Jani, Snehal; Lakshmi, N.; Venugopalan, K.; Sebastian, Varkey; Reddy, V. R.; Gupta, Ajay; Lalla, N. P.

    2008-12-15

    Fe/Al multilayer thin films with an overall atomic concentration ratio of Fe:Al=1:2 have been prepared by ion-beam sputtering. Phase formation and microstructural evolution with thermal annealing have been studied by x-ray reflectivity, cross-sectional transmission electron microscopy, dc magnetization, and conversion electron Moessbauer spectroscopy. These studies show that although the starting composition is Al rich, the intermixing of Fe and Al at the interfaces leads to the formation of a magnetic Fe{sub 3}Al-like region at the interface. Thus, the magnetic contribution in the as-deposited multilayer structure (MLS) is not only from pure Fe but also from an Fe{sub 3}Al-like region formed at the interface. On annealing the MLS, a stable nonmagnetic MLS consisting of intermetallic B2Fe{sub 50}Al{sub 50} separated by thin Al layers is formed. Further annealing only induces better ordering of Fe{sub 50}Al{sub 50} and does not destroy the MLS.

  3. 57Fe- and 119Sn-Moessbauer Studies of Tin Doped Chromium Iron Oxides of Composition {alpha}-Cr2-xFexO3

    SciTech Connect

    Helgason, Oern; Berry, Frank J.; Ren Xiaolin; Moyo, Thomas

    2005-04-26

    Tin-doped iron chromium oxides of composition {alpha}-Cr2-xFexO3 prepared by the calcination of precipitates adopt the corundum-related structure. 57Fe Moessbauer spectroscopy shows the materials to be composed of small superparamagnetic particles and no evidence for a Morin transition was observed above 80K. The supertransferred hyperfine magnetic field at the tin site is shown by 119Sn Moessbauer spectroscopy to be less than that experienced in tin-doped {alpha}-Fe2O3.

  4. 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.

  5. 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}.

  6. Gebel Kamil Iron Meteorite: 57Fe Mössbauer Spectroscopy and Magnetic Properties Data

    NASA Astrophysics Data System (ADS)

    Dos Santos, E.; Munayco, P.; Gattacceca, J.; Rochette, P.; Scorzelli, R. B.; Folco, L.

    2014-09-01

    In this work, we present magnetic properties data along with mineralogical characterization by 57Fe Mössbauer spectroscopy for a shrapnel of Gebel Kamil meteorite, in order to evaluate the thermal/shock history revealed by these techniques.

  7. 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.

  8. 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.

  9. 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

  10. /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.

  11. 57Fe Mössbauer spectroscopy used to develop understanding of a diamond preservation index model

    NASA Astrophysics Data System (ADS)

    Yambissa, M. T.; Forder, S. D.; Bingham, P. A.

    2016-12-01

    57Fe Mössbauer spectroscopy has provided precise and accurate iron redox ratios Fe2+/Fe3+ in ilmenite, FeTiO3, found within kimberlite samples from the Catoca and Camatxia kimberlite pipes from N.E. Angola. Ilmenite is one of the key indicator minerals for diamond survival and it is also one of the iron-bearing minerals with iron naturally occurring in one or both of the oxidation states Fe3+ and Fe2+. For this reason it is a good indicator for studying oxygen fugacities ( fO2) in mineral samples, which can then be related to iron redox ratios, Fe2+/Fe3+. In this paper we demonstrate that the oxidation state of the ilmenite mineral inclusion from sampled kimberlite rock is a key indicator of the oxidation state of the host kimberlite assemblage, which in turn determines the genesis of diamond, grade variation and diamond quality. Ilmenite samples from the two different diamondiferous kimberlite localities (Catoca and Camatxia) in the Lucapa graben, N.E. Angola, were studied using Mössbauer spectroscopy and X-Ray Diffractometry, in order to infer the oxidation state of their source regions in the mantle, oxygen partial pressure and diamond preservation conditions. The iron redox ratios, obtained using Mössbauer spectroscopy, show that the Catoca diamond kimberlite is more oxidised than kimberlite found in the Camatxia pipe, which is associated within the same geological tectonic structure. Here we demonstrate that57Fe Mössbauer spectroscopy can assist geologists and mining engineers to effectively evaluate and determine whether kimberlite deposits are economically feasible for diamond mining.

  12. {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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. High-Pressure-Hydrogen-Induced Spin Reconfiguration in GdFe2 Observed by 57Fe-Polarized Synchrotron Radiation Mössbauer Spectroscopy with Nuclear Bragg Monochromator

    NASA Astrophysics Data System (ADS)

    Mitsui, Takaya; Imai, Yasuhiko; Hirao, Naohisa; Matsuoka, Takahiro; Nakamura, Yumiko; Sakaki, Kouji; Enoki, Hirotoshi; Ishimatsu, Naoki; Masuda, Ryo; Seto, Makoto

    2016-12-01

    57Fe-polarized synchrotron radiation Mössbauer spectroscopy (PSRMS) with an X-ray phase plate and a nuclear Bragg monochromator was used to study ferrimagnetic GdFe2 in high-pressure hydrogen. The pressure-dependent spectra clearly showed a two-step magnetic transition of GdFe2. 57Fe-PSRMS with circular polarization gave direct evidence that the Fe moment was directed parallel to the net magnetization of the GdFe2 hydride at 20 GPa. This spin configuration was opposite to that of the initial GdFe2, suggesting an extreme weakening of the antiferromagnetic interaction between Fe and Gd. 57Fe-PSRMS enables the characterization of the nonuniform properties of iron-based polycrystalline powder alloys. The excellent applicability of 57Fe-PSRMS covers a wide range of scientific fields.

  19. Single-crystalline M-type Sr Hexaferrites studied by 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Nagasawa, Nobumoto; Ikeda, Shugo; Shimoda, Aiko; Waki, Takeshi; Tabata, Yoshikazu; Nakamura, Hiroyuki; Kobayashi, Hisao

    2016-12-01

    The 57Fe Mössbauer spectra of the single crystalline and the finely ground Sr1- x La x Fe12- y Co y O19 ( x = 0 : y = 0, x = 0.192 : y = 0.152 and x = 0.456 : y = 0.225) samples have been measured to investigate the La-Co substitution effects. All observed spectra at 150 K were well fitted using the five subspectra which correspond to the five crystallographical nonequivalent Fe sites in the M-type hexaferrite, indicating that the valence changes to Fe2+ ions in the Fe3+ ions were not observed in our Sr1- x La x Fe12- y Co y O19 samples. In SrFe12O19, the relative absorption intensities in the five subspectra show the large anisotropies in the recoilless fractions at the five Fe sites whereas these anisotropies were not observed in Sr0.544La0.456Fe11.775Co0.225O19. These results indicate the chemical compositional dependence on the anisotropies of the recoilless fractions at the five Fe sites. The substitution of a Co2+ ion for the Fe3+ ion changes the center shifts of the Fe3+ ions near the Co2+ ion by the perturbation of the Fe-O-Co hybridizations. Therefore, the Co2+ ions occupy the 4 f 1 and the 4 f 2 sites due to the chemical compositional dependences of the refined magnetic hyperfine field and center shifts of the Fe3+ ions.

  20. 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.

  1. 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.

  2. Corrosion studies of iron and its alloys by means of57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Marco, J. F.; Dávalos, J.; Gracia, M.; Gancedo, J. R.

    1994-12-01

    Some of the advantages and limitations of Mössbauer spectroscopy when used in corrosion research are shown by using three examples taken from the work of the authors on (i) the passive layer of iron, (ii) the corrosion of weathering steels by SO2-polluted atmospheres and (iii) the performance of rust converters.

  3. 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.

  4. Selected applications of 57Fe Mössbauer spectroscopy to mineral studies

    NASA Astrophysics Data System (ADS)

    de Grave, E.; Eeckhout, S. G.; McCammon, C. A.

    1999-11-01

    The microscopic models which are commonly used to interpret the temperature variations of the centre shifts and quadrupole splittings observed from the Mössbauer spectra of iron-containing minerals are briefly presented and illustrated using the results of recent studies of ortho- and clinopyroxenes. The importance of applied-field Mössbauer spectroscopy for the determination of the electric field gradient is indicated. Aspects of the magnetic spectra of Fe2+-bearing minerals emphasise the benefit of using external fields to elucidate the nature of the magnetic ordering. Two Fe3+ minerals, bernalite and franklinite, serve as examples to illustrate this point. Finally, two applications of the Mössbauer milliprobe technique are presented: the characterisation of inclusions in diamond, and the determination of the oxidation state of a new iron uranyl sulfate mineral, deliensite.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. Moessbauer Spectroscopy on the Martian Surface: Constraints on Interpretation of MER Data

    NASA Technical Reports Server (NTRS)

    Dyar, M. D.; Schaefer, M. W.

    2003-01-01

    Moessbauer spectrometers will be used on martian landers and rovers to identify and quantify relative amounts of Fe-bearing minerals, as well as to determine their Fe(3+)/Fe(2+) ratios, allowing more realistic modeling of martian mineralogy and evolution. However, derivation of mineral modes, Fe(3+)/Fe(2+) ratios, and phase identification via Moessbauer spectroscopy (MS) does have limitations. We discuss here the exciting potential of MS for remote planetary exploration, as well as constraints on interpretation of remote Moessbauer data.

  10. Iron-oxide aerogel and xerogel catalyst formulations: characterization by 57Fe Mössbauer and XAFS spectroscopies.

    PubMed

    Huggins, Frank E; Bali, Sumit; Huffman, Gerald P; Eyring, Edward M

    2010-06-01

    Iron in various iron-oxide aerogel and xerogel catalyst formulations (> or =85% Fe(2)O(3); < or =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 (57)Fe Mössbauer 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 Mössbauer 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 Mössbauer effective thickness (recoilless absorption effect per unit mass of iron) parameter, chi(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. Mössbauer measurements for two aerogels over the range from 15 to 292K 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 the Hägg carbide

  11. The role of alpha-iron and cementite phases in the growing mechanism of carbon nanotubes: a 57Fe Mössbauer spectroscopy study.

    PubMed

    Pérez-Cabero, M; Taboada, J B; Guerrero-Ruiz, A; Overweg, A R; Rodríguez-Ramos, I

    2006-03-14

    57Fe Mössbauer spectroscopy was used to study the reduction behavior at temperatures as high as 1073 K of an iron/silica catalyst, and also the carbonaceous materials isolated after acetylene decomposition over this catalyst at several temperatures (873-1073 K). The products were previously characterized by transmission electron microscopy and it was clearly proven that the concentration of carbon nanotubes increased when reaction reached highest temperatures. This was related with an increment in cementite concentration (generated from initial alpha-iron and the progressive reduction of the remnant Fe+2 caused by acetylene decomposition) as detected by 57Fe Mössbauer. These results undoubtedly revealed the role of alpha-iron as active center for acetylene decomposition and cementite as main carbide intermediate species in the catalytic growth of CNTs.

  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. 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.

  14. 57Fe Mössbauer spectroscopy on disordered crystalline media with Ca-gallogermanate type structure. I. In the paramagnetic range

    NASA Astrophysics Data System (ADS)

    Barb, D.; Constantinescu, S.; Tarina, D.

    1995-12-01

    Polycrystalline strontium iron germanates of the type Sr3- y Ln y Fe2+ y Ge4- y O14(Ln=La, Nd; y=0, 1) were investigated by57Fe Mössbauer spectroscopy in the temperature range 4.2 300 K. The crystal chemistry and the distribution of Fe3+ ions in the structure, as well as the crystallographic inequivalence of the oxygen polyhedra occupied by iron, were studied over the whole paramagnetic temperature region. A correlation of the experimental data with a local environment computation is given.

  15. 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.

  16. Application of 57Fe Mössbauer spectroscopy as a tool for mining exploration of bornite (Cu5FeS4) copper ore

    NASA Astrophysics Data System (ADS)

    Gainov, R. R.; Vagizov, F. G.; Golovanevskiy, V. A.; Ksenofontov, V. A.; Klingelhöfer, G.; Klekovkina, V. V.; Shumilova, T. G.; Pen'kov, I. N.

    2014-04-01

    Nuclear resonance methods, including Mössbauer spectroscopy,are considered as unique techniques suitable for remote on-line mineralogical analysis. The employment of these methods provides potentially significant commercial benefits for mining industry. As applied to copper sulfide ores, Mössbauer spectroscopy method is suitable for the analysis noted. Bornite (formally Cu5FeS4) is a significant part of copper ore and identification of its properties is important for economic exploitation of commercial copper ore deposits. A series of natural bornite samples was studied by 57Fe Mössbauer spectroscopy. Two aspects were considered: reexamination of 57Fe Mössbauer properties of natural bornite samples and their stability irrespective of origin and potential use of miniaturized Mössbauer spectrometers MIMOS II for in-situ bornite identification. The results obtained show a number of potential benefits of introducing the available portative Mössbauer equipment into the mining industry for express mineralogical analysis. In addition, results of some preliminary 63,65Cu nuclear quadrupole resonance (NQR) studies of bornite are reported and their merits with Mössbauer techniques for bornite detection discussed.

  17. Moessbauer spectroscopy at pressures up to 40 GPa

    SciTech Connect

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

    1991-11-20

    Mossbauer spectroscopy (MS) is a viable ``non-contact`` technique applicable to high-pressure, diamond anvil cells (DAC) with samples containing a wide variety of the elements suitable for MS. The convenience and simplicity of diamond anvil cells as a means to obtain static high pressures even into the megabar regime has resulted in a renewed interest in pressure as a complement to the usual physical measurements. However, the required small sample size and the difficulty of communicating with the sample leave only x-ray and optical spectroscopy as the readily available tools. Mossbauer spectroscopy which involves recoil-free, low-energy {gamma} rays, provides a powerful additional technique to study a myriad of physical properties in a DAC. MS concerns a particular isotope and can provide local information on phase changes and hysteresis, isomer shifts, valence, bonding, magnetic and quadrupolar interactions, lattice dynamics, and multiple sites. The Mossbauer effect has been seen in about a hundred isotopic transitions in about forty different elements; many are suitable for DAC-MS, most notably {sup 57}Fe, {sup 119}Sn, {sup 121}Sb, {sup 125}Te, {sup 129}I, {sup 149}Sn, {sup 151}Eu, {sup 161}Dy, {sup 1976}Au, and {sup 237}Np. Since the information available from MS is obtained from analyzing the precise energy profile of the Mossbauer {gamma} ray from a source/absorber combination, no contacts or difficult coupling to the DAC are required. We review a number of salient features of the DAC-MS method and present some examples, including new work on FeI{sub 2}.

  18. 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.

  19. 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.

  20. 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).

  1. Moessbauer spectroscopy evidence of a spinodal mechanism for the thermal decomposition of fcc FeCu

    SciTech Connect

    Crespo, P. |; Barro, M.J.; Hernando, A.; Escorial, A.G.; Menendez, N.; Tornero, J.D.; Barandiaran, J.M.

    1998-07-24

    Moessbauer spectroscopy shows the existence of compositional fluctuations, where different Fe environments coexist, during decomposition upon heat treatment of metastable f.c.c. FeCu solid solution. The presence of isolated Fe atoms in the Cu matrix, f.c.c. Fe{sub rich}Cu, f.c.c. FeCu{sub rich} and b.c.c. Fe has been detected in early decomposition stages. At later decomposition stages, low temperature Moessbauer spectroscopy indicates the presence of a broad distribution of Curie temperatures, coexisting with isolated Fe atoms in the Cu matrix, f.c.c. Fe and b.c.c. Fe.

  2. 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.

  3. Interplay between magnetism and superconductivity in EuFe2-xCoxAs2 studied by 57Fe and 151Eu Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Błachowski, A.; Ruebenbauer, K.; Żukrowski, J.; Bukowski, Z.; Rogacki, K.; Moll, P. J. W.; Karpinski, J.

    2011-11-01

    The compound EuFe2-xCoxAs2 was investigated by means of 57Fe and 151Eu Mössbauer spectroscopy versus temperature (4.2-300 K) for x = 0 (parent), x = 0.34-0.39 (superconductor), and x = 0.58 (overdoped). It was found that the spin density wave (SDW) is suppressed by Co substitution; however, it survives in the region of superconductivity, but iron spectra exhibit some nonmagnetic components in the superconducting region. Europium orders magnetically, regardless of the cobalt concentration, with the spin reorientation from the a-axis in the parent compound toward the c-axis with increasing replacement of iron by cobalt. The reorientation takes place close to the a-c plane. Some trivalent europium appears in EuFe2-xCoxAs2 versus substitution due to the chemical pressure induced by Co atoms, and it experiences some transferred hyperfine field from Eu2+. Iron experiences some transferred field due to the europium ordering for substituted samples in the SDW and nonmagnetic state both, while the transferred field is undetectable in the parent compound. Superconductivity coexists with the 4f-europium magnetic order within the same volume. It seems that superconductivity has some filamentary character in EuFe2-xCoxAs2, and it is confined to the nonmagnetic component seen by the iron Mössbauer spectroscopy.

  4. Structure comparison between Th2Zn17-type and TbCu7-type Sm Fe intermetallic compounds and their nitrides by means of 57Fe-Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Sakai, Yoichi; Omatsuzawa, Ryo; Sakazaki, Iwao; Suzuki, Sayaka; Hashino, Hayato; Saito, Takanobu; Iriyama, Takahiko

    2005-11-01

    Samarium iron intermetallic compounds were prepared by a melt spinning method with low and high wheel speeds, which resulted in a Th2Zn17-type and a TbCu7-type structure, respectively. Structure comparison between these types was investigated for Sm Fe intermetallic compounds and their nitrides by 57Fe-Mössbauer spectroscopy.

  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. 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

  7. Synthesis, structure of [H{sub 3} dien].(MF{sub 6}).H{sub 2}O (M=Cr, Fe) and {sup 57}Fe Moessbauer study of [H{sub 3} dien].(FeF{sub 6}).H{sub 2}O

    SciTech Connect

    Ben Ali, Amor Trang Dang, Minh; Greneche, Jean-Marc; Hemon-Ribaud, Annie; Leblanc, Marc; Maisonneuve, Vincent

    2007-06-15

    Single crystals of [H{sub 3} dien].(FeF{sub 6}).H{sub 2}O (I) and [H{sub 3} dien].(CrF{sub 6}).H{sub 2}O (II) are obtained by solvothermal synthesis under microwave heating. I is orthorhombic (Pna2{sub 1}) with a=11.530(2) A, b=6.6446(8) A, c=13.787(3) A, V=1056.3(2) A{sup 3} and Z=4. II is monoclinic (P2{sub 1} /c) with a=13.706(1) A, b=6.7606(6) A, c=11.3181(9) A, {beta}=99.38(1){sup o}, V=1034.7(1) A{sup 3} and Z=4. The structure determinations, performed from single crystal X-ray diffraction data, lead to the R {sub 1}/wR {sub 2} reliability factors 0.028/0.066 for I and 0.035/0.102 for II. The structures of I and II are built up from isolated FeF{sub 6} or CrF{sub 6} octahedra, water molecules and triprotonated amines. In both structures, each octahedron is connected by hydrogen bonds to six organic cations and two water molecules. The iron-based compound is also characterized by {sup 57}Fe Moessbauer spectrometry: the hyperfine structure confirms the presence of Fe{sup 3+} in octahedral coordination and reveals the existence of paramagnetic spin fluctuations. - Graphical abstract: Moessbauer spectra of [H{sub 3} dien].(FeF{sub 6}).H{sub 2}O.

  8. 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.

  9. 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.

  10. Noncollinear Fe spin structure in (Sm-Co)/Fe exchange-spring bilayers: Layer-resolved 57Fe Mössbauer spectroscopy and electronic structure calculations

    NASA Astrophysics Data System (ADS)

    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 Mössbauer 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 γ-ray incidence onto thin (2 nm) 57Fe probe layers embedded at various depths in the 20-nm-thick natural (soft) Fe layer provides depth-dependent information (via the line-intensity ratio R23 as a function of the applied field H) about the in-plane rotation of Fe spins. A minimum in the R23-vs-H dependence at (Hmin, Rmin) 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 Hmin 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, Hirr, 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 R23 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 R23 ratios as a function of the (reduced) applied field h exhibit similar features as observed in the experiment, in particular a minimum at (hmin, Rmin). Rmin 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 during reversal is highly inhomogeneous. In general, our simulation of the Fe spin

  11. 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.

  12. Different 57Fe microenvironments in the nanosized iron cores in human liver ferritin and its pharmaceutical analogues on the basis of temperature dependent Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Oshtrakh, M. I.; Alenkina, I. V.; Klencsár, Z.; Kuzmann, E.; Semionkin, V. A.

    2017-02-01

    Mössbauer spectra of human liver ferritin and its pharmaceutical analogues Ferrum Lek and Maltofer® measured at various temperatures within the range of 295-83 K were fitted using five quadrupole doublets related to different 57Fe microenvironments in various layers/regions of the ferrihydrite and akaganéite iron cores. The observed anomalous temperature dependences of some Mössbauer parameters were considered as a result of low temperature structural rearrangements in different layers/regions in the iron core.

  13. 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.

  14. Moessbauer Spectroscopy of Mineral Separates from SNC Meteorites

    NASA Technical Reports Server (NTRS)

    Dyar, M. D.

    2003-01-01

    Numerous workers have recently focused attention on the issue of the oxygen fugacity (f(sub O2)) of martian samples. Estimates of fO2 based on Fe-Ti oxides and D(sub Eu)/D(sub Gd) and D(sub Eu)/D(sub Sm) ratios suggest a range of fO2 values for SNC meteorites from IW+2.5 - IW+3.5 for Shergotty to IW- 2.0 - IW+0.2 for QUE94201. Fe(3+)/Fe(2+) is also a function of f(sub O2), and synchrotron micro-XANES values for olivine, pyroxene, and feldspar Fe(3+) have been reported. However, the relationship between the reported Fe(3+) values and the other methods for estimating f(sub O2) is not clear, and further measurements of Fe(3+)/Fe(2+) by a more conventional technique have been needed. Accordingly, in this project, new Mossbauer spectroscopy data on mineral separates handpicked from 10 SNC meteorites are reported.

  15. 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.

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

    DOE PAGES

    Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; ...

    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

  17. XRD and {sup 119}Sn Moessbauer spectroscopy characterization of SnSe obtained from a simple chemical route

    SciTech Connect

    Bernardes-Silva, Ana Claudia . E-mail: anaclaudiabs2000@yahoo.com.br; Mesquita, A.F.; Moura de Neto, E.; Porto, A.O. . E-mail: arilzaporto@yahoo.com.br; Ardisson, J.D.; Lameiras, F.S.

    2005-09-01

    Crystalline tin selenide semiconductor was synthesized by a chemical route. Selenium powder reacted with potassium boronhydride, giving a soluble selenium species potassium seleniumhydride. The reaction of potassium seleniumhydride with tin chloride produced crystalline tin selenide, which was characterized by X-ray diffraction, {sup 119}Sn Moessbauer spectroscopy and scanning electronic microscopy. The material was thermally treated, in nitrogen flow, at 300 and 600 deg. C for 2 h and the particle size evolution was studied by X-ray diffraction. The X-ray diffraction and {sup 119}Sn Moessbauer results showed that a mixture of tin oxides and orthorhombic tin selenide was obtained.

  18. 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.

  19. Development of the Fast Scintillation Detector with Programmable High Voltage Adjustment Suitable for Moessbauer Spectroscopy

    SciTech Connect

    Prochazka, R.; Frydrych, J.; Pechousek, J.

    2010-07-13

    This work is focused on a development of a compact fast scintillation detector suitable for Moessbauer spectroscopy (low energy X-ray/{gamma}-ray detection) where high counting rates are inevitable. Optimization of this part was necessary for a reliable function, better time resolution and to avoid a detector pulses pile-up effect. The pile-up effect decreases the measurement performance, significantly depends on the source activity and also on the pulse duration. Our new detection unit includes a fast scintillation crystal YAP:Ce, an R6095 photomultiplier tube, a high voltage power supply socket C9028-01 assembly, an AD5252 digital potentiometer with an I2C interface and an AD8000 ultra fast operation preamplifier. The main advantages of this solution lie in a short pulse duration (less than 200 ns), stable operation for high activities, programmable gain of the high voltage supply and compact design in the aluminum housing.

  20. 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.

  1. Moessbauer and Positron Annihilation Spectroscopy Applied to WWER-1000 RPV Steels

    SciTech Connect

    Slugen, V.; Lipka, J.; Zeman, A.; Debarberis, L.

    2005-04-26

    Moessbauer spectroscopy (MS) and Positron annihilation spectroscopy (PAS) were applied in the evaluation of the microstructure parameters and degradation processes of nuclear reactor pressure vessel (RPV) steel surveillance specimens. Study was oriented to the material investigation of Russian WWER-1000 steels (15Kh2MNFAA and 12Kh2N2MAA) with higher Ni content (1.26 wt.% in base metal and 1.7 wt.% in weld). For comparison, the WWER-440 weld metal (Sv10KhMFT) without Ni was measured too. Specimens were studied in as received form, after irradiation in LVR-15 experimental reactor to the neutron fluence F(E>0.5 MeV) = 1.47x1024 m-2s-1 and after annealing process in vacuum at 475 deg. C/2h. Changes due to different chemical composition and due to irradiation were registered using MS. Post-irradiation thermal treatment and annealing of defects was well detected by different PAS techniques. Results confirm the hypothesis that Ni affects size (decrease) and distribution (more homogeneous) of the Cu- and P-rich clusters and MxCx carbides.

  2. 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

    2013-03-04

    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).

  3. Interfacial magnetism of Ce/Fe and CeH ˜2/Fe multilayers studied by 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Bauer, Ph.; Klose, F.; Schulte, O.; Felsch, W.

    1994-11-01

    The distribution of the magnetic hyperfine fields and the magnetic anisotropy of Ce/Fe and CeH ˜2/Fe multilayers have been studied by Mössbauer spectroscopy between 4.2 and 300 K. The extension of the Ce-Fe interaction defining a 'magnetic interface' exceeds the structural extension of the interface and is more than two times larger at the Ce/Fe than at the CeH ˜2/Fe interface. This is proposed to be a consequence of a strong hybridization between the Ce-5d and Fe-3d states that is suppressed by hydrogenation. From the relative intensity of the Mössbauer lines we show that for the CeH ˜2/Fe system with sufficiently thin Fe layers the orientation of the spontaneous magnetization is perpendicular to the film plane at low temperatures and switches to a parallel alignment at higher temperatures in a sharp transition. In contrast, the Ce/Fe system is spontaneously magnetized in the film plane.

  4. 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.

  5. Moessbauer Spectroscopy of Soils and Rocks at Gusev Crater and Meridiani Planum

    NASA Technical Reports Server (NTRS)

    Klingelhoefer, G.; Morris, R. V.; Bernhardt, B.; Schroeder, C.; Rodionov, D.; deSouza, P. A., Jr.; Yen, A.; Renz, F.; Wdowiak, T.; Squyres, S.

    2004-01-01

    For the first time in history a Moessbauer spectrometer was placed on the surface of another planet. The miniaturized Moessbauer spectrometer MIMOS II is part of the Athena payload of NASA's twin Mars Exploration Rovers (MER) Spirit,and Opportunity. It determines the Fe-bearing mineralogy of Martian soils and rocks at the Rovers respective landing sites, Gusev crater and Meridiani Planum. First results of soil and rock measurements at both landing sites confirm a generally basaltic composition of Martian surface materials.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Antiferromagnetism in Co-57-doped La2CuO(4-y) studied by Moessbauer spectroscopy

    NASA Technical Reports Server (NTRS)

    Jha, S.; Mitros, C.; Lahamer, Amer; Yehia, Sherif; Julian, Glenn M.

    1989-01-01

    Moessbauer effect studies of Co-57-doped La2CuO(4-y) were performed at temperatures between 4.2 K and room temperature. These confirm the antiferromagnetic ordering of these compounds below room temperature. Temperature dependence of the quadrupole splitting shows that the hyperfine field is at an angle with the c-axis.

  12. High perfection. alpha. - sup 57 Fe sub 2 O sub 3 crystals for nuclear Bragg scattering

    SciTech Connect

    Suzuki, C.K.; Ohno, H. ); Takei, H.; Sakai, F. ); Yoda, Y.; Kudo, Y.; Izumi, K.; Ishikawa, T.; Kikuta, S. ); Zhang, X.W.; Matsushita, T.; Ando, M. )

    1992-01-01

    High quality single crystals or thin films containing Moessbauer isotopes are the main x-ray optical component for nuclear Bragg scattering (NBS) with synchrotron radiation. For this purpose, flux grown {alpha}-{sup 57}Fe{sub 2}O{sub 3} (hematite) single crystals prepared in two growth runs have been characterized by plane wave x-ray topography, which indicated the most suitable sample. Measurements of (111), (333), (555), (777), and (999) pure nuclear-reflection profiles showed a good agreement of relative reflectivity with the values calculated from theory. At the beamline NE-3, accumulation ring of TRISTAN, a Moessbauer event rate as high as 13 000 cps for (777) reflection was observed.

  13. On the ‘centre of gravity’ method for measuring the composition of magnetite/maghemite mixtures, or the stoichiometry of magnetite-maghemite solid solutions, via 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Fock, Jeppe; Bogart, Lara K.; González-Alonso, David; Espeso, Jose I.; Hansen, Mikkel F.; Varón, Miriam; Frandsen, Cathrine; Pankhurst, Quentin A.

    2017-07-01

    We evaluate the application of 57Fe Mössbauer spectroscopy to the determination of the composition of magnetite (Fe3O4)/maghemite (γ-Fe2O3) mixtures and the stoichiometry of magnetite-maghemite solid solutions. In particular, we consider a recently proposed model-independent method which does not rely on a priori assumptions regarding the nature of the sample, other than that it is free of other Fe-containing phases. In it a single parameter, {{\\overlineδ}\\text{RT}} —the ‘centre of gravity’, or area weighted mean isomer shift at room temperature, T  =  295  ±  5 K—is extracted by curve-fitting a sample’s Mössbauer spectrum, and is correlated to the sample’s composition or stoichiometry. We present data on high-purity magnetite and maghemite powders, and mixtures thereof, as well as comparison literature data from nanoparticulate mixtures and solid solutions, to show that a linear correlation exists between {{\\overlineδ}\\text{RT}} and the numerical proportion of Fe atoms in the magnetite environment: α   =  Femagnetite/Fetotal =≤ft({{\\overlineδ}\\text{RT}}-{δ\\text{o}}\\right)/m , where {δ\\text{o}}   =  0.3206  ±  0.0022 mm s-1 and m   =  0.2135  ±  0.0076 mm s-1. We also present equations to relate α to the weight percentage w of magnetite in mixed phases, and the magnetite stoichiometry x  =  Fe2+/Fe3+ in solid solutions. The analytical method is generally applicable, but is most accurate when the absorption profiles are sharp; in some samples this may require spectra to be recorded at reduced temperatures. We consider such cases and provide equations to relate \\overlineδ(T) to the corresponding α value.

  14. Mössbauer study 57Fe in ultrathin trilayer films with sharp and rough interfaces

    NASA Astrophysics Data System (ADS)

    Pogorily, A. N.; Bondarkova, G. V.; Razumov, O. N.; Shypil, E. V.

    2011-04-01

    Trilayer thin films Py/57Fe/Gd and Gd/57Fe/Py (Py: Fe20Ni80 permalloy) have been prepared by electron-beam evaporation and investigated using conversion-electron Mössbauer spectroscopy (CEMS), scanning tunneling microscopy (STM), polar magneto-optical Kerr effect (PMOKE), and ferromagnetic resonance (FMR). It was shown that the films deposited in the same vacuum and temperature runs but with the reverse order of the layers gave a different quality of interfaces: sharp (Py/57Fe/Gd) and rough (Gd/57Fe/Py). Different distribution of atoms in sharp and rough interfaces results in different magnetic properties: the Mössbauer spectra, FMR, and PMOKE data show the appearance of perpendicular magnetic anisotropy (PMA) and enhancement of magnetization in the samples with the rough Gd/Py interface.

  15. Local environment of iron in heavy ion-irradiated amorphous magnetic oxides by Moessbauer and x-ray absorption spectroscopy

    SciTech Connect

    Studer, F.; Houpert Ch. ); Toulemonde, M. ) Dartyge E. )

    1991-04-01

    Moessbauer and X-ray absorption spectroscopies of some crystallized iron oxides, Fe{sub 2}O{sub 3}, FePO{sub 4}, Fe{sub 3}PO{sub 7}, and SrMn{sub 1.85}Fe{sub 0.15}O{sub 2.5}, the garnet Y{sub 3}Fe{sub 5}O{sub 12}, and the barium hexaferrite BaFe{sub 12}O{sub 19} have been undertaken in order to look at the local order around iron in Y{sub 3}Fe{sub 5}O{sub 12} and BaFe{sub 12}O{sub 19} materials amorphized by irradiation with high energy (27 MeV/n) xenon ions accelerated by GANIL. Simulations of the Moessbauer spectra suggested the presence of fivefold coordinated iron in the amorphous irradiated compounds with a distribution of magnetic interactions due to the variations of the number of iron second neighbors. The XANES spectra at the Fe-K edge confirmed the fivefold coordination of iron in the amorphous ferrites, show that the local structure around iron appears to be similar although the original structures were different, and appear close to the one observed in the Fe{sub 3}PO{sub 7} compound in which iron stands in a trigonal bipyramidal environment.

  16. 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.

  17. 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.

  18. Electronic structure properties of neptunium intermetallics under pressure from Moessbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Kalvius, G. M.; Potzel, W.; Zwirner, S.; Gal, J.; Nowik, I.

    1994-10-01

    Electronic structure properties of neptunium intermetallics obtained by the 60 keV Moessbauer resonance in Np-237 in the pressure range up to 9 GPa and at temperatures from 1.5 K to about 150 K together with X-ray determinations of the bulk modulus are discussed. Samples of the NaCl compounds NpX, the Laves phases NpX2 and the AuCu3 materials NpX3 as well as the tetragonal series NpX2S2 have been studied. The volume coefficients of magnetic moment and magnetic transition temperature allow the classification in terms of 5f bandwidth arising either from 5f-5f overlap or hybridization with ligand s, p, or d electrons. The pressure-temperature magnetic phase diagram of some of these compounds has also been investigated. In NpGa3 and NpIn3 we find a preference for ferromagnetic order under reduced volume. Finally we address the question of crystal field interactions and show that even in a somewhat delocalized case (NpAl2) they are decisive in determining the high pressure Moessbauer spectra.

  19. 57Fe Mössbauer study of the chainpur meteorite

    NASA Astrophysics Data System (ADS)

    Elewa, Nancy N.; Cobas, R.; Cadogan, J. M.

    2016-12-01

    The Chainpur meteorite is one of 23 ordinary chondrites classified as LL3-type (low-Fe & low-metal). It was observed as a shower of stones falling on May 9, 1907 in Uttar Pradesh, India. We report here the characterization of the Fe-bearing phases in this chondrite using 57Fe Mössbauer spectroscopy carried out at 298 K, 120 K, 50 K and 13 K. The paramagnetic doublets of olivine and pyroxene dominate the room temperature spectrum, accounting for around 70 % of the spectral area. Moreover, a doublet present with a spectral area of 5 % and assigned to a superparamagnetic Fe 3+ phase is a consequence of terrestrial weathering. On the basis of the measured 57Fe electric quadrupole splitting of the olivine component at room temperature we estimate the mean Fe:Mg ratio in this meteoritic olivine to be around 35:65 % although there is clearly a wide range of composition. The effects of magnetic ordering of the major components olivine and pyroxene are observed at 13 K.

  20. The 57Fe hyperfine interactions in the iron-bearing phases in some LL ordinary chondrites

    NASA Astrophysics Data System (ADS)

    Oshtrakh, M. I.; Maksimova, A. A.; Grokhovsky, V. I.; Petrova, E. V.; Semionkin, V. A.

    2016-12-01

    The study of several LL ordinary chondrites such as NWA 6286 LL6, NWA 7857 LL6 and Chelyabinsk LL5 fragments with different lithology was carried out using scanning electron microscopy with energy dispersion spectroscopy, X-ray diffraction and 57Fe Mössbauer spectroscopy with a high velocity resolution at 295 K. Small variations in the 57Fe hyperfine parameters were revealed for the M1 and M2 sites in olivine, orthopyroxene and clinopyroxene as well as for α-Fe(Ni, Co), α 2-Fe(Ni, Co) and γ-Fe(Ni, Co) phases, and for troilite in different samples of studied LL ordinary chondrites.

  1. Magnetic properties of Al/57Fe/Cr multilayers

    NASA Astrophysics Data System (ADS)

    Jani, Snehal; Lakshmi, N.; Jain, Vishal; Reddy, V. R.; Gupta, Ajay; Venugopalan, K.

    2013-06-01

    Conversion Electron Mössbauer Spectroscopy (CEMS) and DC magnetization are used to compare magnetic properties of as-deposited multilayer (MLS) and Fe2CrAl thin film made from Al/57Fe/Cr MLS deposited by ion beam sputtering and then annealed in UHV. Interdiffusion of elements on annealing sample-1 at 500°C leads to formation of a single, disordered film of Fe2CrAl as evidenced by hyperfine field values obtained by CEMS in the film which compares well with that in bulk Fe2CrAl. CEMS also shows contributions from Fe, Fe/Cr and Fe/Al interfaces in the MLS. Saturation magnetization of as-deposited sample-1 is much less than pure Fe due to reduced Fe thickness because of interface formation and also reduction in Fe-Fe interaction due to intervening Al and Cr layers.

  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. Studies in Moessbauer spectroscopy, neutron activation analysis, x-ray fluorescence

    SciTech Connect

    Nomai, M.

    1985-01-01

    The Moessbauer Effects was employed to study cyclopentadienyliron arene compounds. The isomer shift, delta, in these compounds ranges from 0.206 to 0.257 mm/s relative to /sup 5//sub 7/Co/Cu source and ..delta..E/sub Q/ values are from 1.632 to 1.918 mm/s at liquid nitrogen temperature. Room temperature spectra showed low absorption due to small recoil-free fractions the deltas and ..delta..E/sub Q/s can be correlated with the electron withdrawing effects of the alkyl groups bonded to benzene. In polynuclear aromatic system extending over two benzene rings, electron charge density is difficult to explain. Isomer shifts of PF/sub 6//sup -/ and Fe(NCS)/sub 6//sup 3 -/ are more or less independent of the counteranion, while ..delta..E/sub Q/ is slightly influenced by it. (Fe(arene)Cp)/sub 3//sup +/FE(NCS)/sub 6//sup 3 -/ compounds show only two peaks, with parameters almost identical to the PF/sub 6//sup -/ compounds. An isomer shift peak due to Fe(NCS)/sub 6//sup 3 -/, Fe d/sup 5/ state, is not observed and it is believed to coincide with the second right hand peak of the cation. Experimental procedures and results of hydrogen determination in samples of coal and other comparative samples, e.g., NA/sub 2/EDTA.2H/sub 2/O, in a paraffin moderated thermal neutron flux from 1 ..mu..Ci of /sup 252/Cf source are described. Simple instrumentation is used. Accuracy of about 10% or better is possible with stronger neutron source. Other moderators that were tried, but were unsuccessful, were water and graphite. Factors that can affect the neutron flux and prompt ..gamma..-ray distribution in the samples are H, O, and C concentrations. Results of the determination of uranium and other elements in sandstone uranium samples from Zambia are presented.

  4. Determination of the Lamb-Moessbauer factors of LiFePO{sub 4} and FePO{sub 4} for electrochemical in situ and operando measurements in Li-ion batteries

    SciTech Connect

    Aldon, L.

    2010-01-15

    {sup 57}Fe Moessbauer spectroscopy is a powerful tool to investigate redox reactions during in electrochemical lithium insertion/extraction processes. Electrochemical oxidation of LiFe{sup II}PO{sub 4} (triphylite) in Li-ion batteries results in Fe{sup III}PO{sub 4} (heterosite). LiFePO{sub 4} was synthesized by solid state reaction at 800 deg. C under Ar flow from Li{sub 2}CO{sub 3}, FeC{sub 2}O{sub 4}.2H{sub 2}O and NH{sub 4}H{sub 2}PO{sub 4} precursors in stoichiometric composition. FePO{sub 4} was prepared from chemical oxidation of LiFePO{sub 4} using bromine as oxidative agent. For both materials a complete {sup 57}Fe Moessbauer study as a function of the temperature has been carried out. The Debye temperatures are found to be theta{sub M}=336 K for LiFePO{sub 4} and theta{sub M}=359 K for FePO{sub 4}, leading to Lamb-Moessbauer factors f{sub 300K}=0.73 and 0.77, respectively. These data will be useful for a precise estimation of the relative amounts of each species in a mixture. - Graphical abstract: Relative amount of FePO{sub 4} obtained by Moessbauer and electrochemical data. We have corrected Moessbauer spectral intensities with our f factor of both LiFePO{sub 4} and FePO{sub 4}. Open (filled) squares correspond to values obtained during charging (discharging) process. The dashed line, given as a guideline for the eye, corresponds to the ideal case were amounts deduced from different experimental measurements are equal.

  5. Influence of Ordering Phenomena on the Thermomechanical Processing of High-Si Electrical Steel Studied by Moessbauer Spectroscopy

    SciTech Connect

    Ruiz, Daniel; Ros-Yanez, Tanya; Houbaert, Yvan; Vandenberghe, Robert E.

    2005-04-26

    Fe-Si alloys with Si-contents up to 14 at.%Si (7.6 wt.%Si ) were produced by conventional casting and hot/cold rolled with different conditions of temperatures, pass reductions and cooling rates. The obtained thickness of the final sheet was between 0.5 and 0.7 mm for Si-steel up to 10 at.%Si (5.5 wt.%). Moessbauer spectroscopy was used to characterize the order evolution with the Si-content and the thermomechanical processing of the material. A new fitting program was developed for this purpose due to the known complexity of the Fe-alloys spectra. Results show that there is never complete disorder, i.e. binomial distribution of the atoms, whatever the Si-concentration is. Moreover, a clear tendency towards D03 ordering is observed. The obtained long-range order parameters prove a patent increase of the D03 order above 7 at.%Si (3.6 wt.%) which can be associated to the observed brittleness beyond this Si-amount. Concerning the relationship between order and thermomechanical processing, no big effect was found for low Si-contents (up to 6 at.%Si), while for higher amounts two results are clearly observed: (i) the slower the cooling after the hot rolling is, the higher the order is and (ii) cold deformation removes order in a great way. This agrees with the need of fast cooling after hot rolling in order to increase the cold workability of the Si-steel.

  6. Moessbauer spectroscopy studies of iron-catalysts used in Fischer-Tropsch (FT) processes. Quarterly technical progress report, January--March, 1994

    SciTech Connect

    Huffman, G.P.; Rao, K.R.P.M.

    1994-12-31

    The objective of this project is to carry out a Moessbauer spectroscopy study of Iron-based catalysts to identify iron phases present and correlate with water gas shift and FT activities. A total of 15 catalysts were evaluated so far. Results are presented on the amounts in each catalyst of the following phases: superparamagnetic phase, hematite ({alpha}-Fe{sub 2}O{sub 3}), magnetite (Fe{sub 3}O{sub 4}), Chi-carbide phase ({chi}-Fe{sub 5}C{sub 2}), and an epsilon-carbide phase ({var_epsilon}-Fe{sub 2.2}C).

  7. Hyperfine Field Properties of Amorphous Iron-Germanium Alloys Through Moessbauer Spectroscopy Down to 0.72 K

    NASA Astrophysics Data System (ADS)

    Hamdeh, Hussein Husni

    Sputtered amorphous samples of FexGel-x; 0.12 < x < 0.72 have been studied by 57Fe Mossbauer spectroscopy over a temperature range from 0.72 K to room temperature. The broadening observed in the Mossbauer spectra lines is analyzed in terms of distributions of hyperfine fields. The isomer shift, the quadrupole splitting ((DELTA) Eq)(,eff) and the magnetic hyperfine field H(,eff) have been determined as functions of x and T. Also the magnetic ordering temperatures Tc have been determined for appropriate Fe concentrations. The critical concentration Xc below which magnetic ordering is absent down to 4.2 K has been found by extrapolating H(,eff)(x) or Tc(x) to zero to be around x = 0.43. The resulting analysis of the isomer shift suggests that the reduction of magnetism is caused mainly by the broadening process of the 3d-band and depends on the volume of the metalliod. The isomer shift data has a maximum around x = 0.55, and it is interpreted in terms of charge transfer, intra-atomic s (--->) d charge conversion and hybridization effects by a model proposed by Miedema and van der Woude. At room temperature the onset of long range magnetic order occurs around x = 0.52. Above Tc the observed ((DELTA) Eq)(,eff) is of order 0.45, whereas the average ((DELTA) Eq)(,eff) is zero below Tc. This indicates the random orientation of the electric field axes with respect to the magnetic hyperfine field. Both values show very slight variation with x and T. H(,eff) and Tc rise sharply with Fe concentration near and above Xc. The data are discussed in terms of localized moment and itinerant electron models. The relation between H(,eff) and the isomer shift has been established, and based on the general-band filling relation the isomer shift attains its maximum value when M(,eff) = m - 0.82n. The magnetic hyperfine field distributions P(H) have been determined as a function of T. They exhibit wide structureless shape and are considered to scale directly with the fraction distribution

  8. 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.

  9. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    DOE PAGES

    Ma, Xiaoming; Ran, Sheng; Pang, Hua; ...

    2015-03-28

    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

  10. Coordination of Fe, Ga and Ge in high pressure glasses by Moessbauer, Raman and X-ray absorption spectroscopy, and geological implications

    NASA Technical Reports Server (NTRS)

    Fleet, M. E.; Henderson, G. S.; Herzberg, C. T.; Crozier, E. D.; Osborne, M. D.; Scarfe, C. M.

    1984-01-01

    For some time, it has been recognized that the structure of silicate liquids has a great bearing on such magma properties as viscosity, diffusivity, and thermal expansion and on the extrapolation of thermodynamic quantities outside of the experimentally measurable range. In this connection it is vital to know if pressure imposes changes in melt structure similar to the pressure-induced reconstructive transformations in crystals. In the present study on 1 bar and high pressure glasses, an investigation is conducted regarding the coordination of Fe(3+) in Fe silicate glasses by Moessbauer spectroscopy. Raman spectroscopy is employed to explore the coordinations of Ge(4+) in GeO2 glasses and of Ga(3+) in NaGa silicate glasses, while the coordination of Ga(3+) in NaGaSiO4 glasses is studied with the aid of methods of X-ray absorption spectroscopy.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 57Fe Mössbauer investigations of manganese-containing spinels

    NASA Astrophysics Data System (ADS)

    Bluncson, C. R.; Thompson, G. K.; Evans, B. J.

    1994-12-01

    Cation distributions and related order-disorder phenomena in the naturally occurring Mn-spinels: iwakiite, galaxite and franklinite, have been investigated by means of57Fe Mössbauer spectroscopy. Previous measurements on an iwakiite sample indicated the existence of Mn-rich and Mn-poor regions. This interpretation has been confirmed in this investigation by further measurements on annealed iwakiite samples. The57Fe Mössbauer spectrum of galaxite from Bald Knob, NC, is a well-resolved quadrupole doublet and indicates the presence of a single crystallographic Fe3+ species. A “galaxite” sample from Thailand exhibited a complex spectrum of Fe2+ and Fe3+ quadrupole doublets: This sample has been misidentified and should be regarded as a member of the (Mg, Fe)(Al, Fe)2O4 series. The57Fe hyperfine parameters of a rare franklinite from Längban, Sweden, are very close to those for synthetic zinc ferrite, confirming electron microprobe results of an unusually high zinc content.

  16. 57Fe Mössbauer measurements and electronic structure calculations on natural lawsonites

    NASA Astrophysics Data System (ADS)

    Weber, S.-U.; Grodzicki, M.; Geiger, C. A.; Lottermoser, W.; Tippelt, G.; Redhammer, G. J.; Bernroider, M.; Amthauer, G.

    2007-01-01

    Three natural lawsonites from Syke Rock, Mendocino Co., Reed Ranch, Marin Co., and Blake Gardens, Sonoma Co., all from the Coast Range Region in California, were studied by 57Fe Mössbauer spectroscopy, electron microprobe analysis, and X-ray powder diffraction. The samples contain about 0.6, 1.0, and 1.4 wt% of total iron oxide, respectively. 57Fe Mössbauer spectra are consistent with the assumption that high-spin Fe3+ substitutes for Al in the octahedrally coordinated site. The Mössbauer spectrum of lawsonite from Syke Rock exhibits a second doublet with 57Fe hyperfine parameters typical for octahedrally coordinated high-spin Fe2+. Electronic structure calculations in the local spin density approximation yield quadrupole splittings for Fe3+ in quantitative agreement with experiment indicating, however, that substitution of Al by Fe3+ must be accompanied by local distortion around the octahedral site. Model calculations also reproduce the room temperature hyperfine parameters of ferrous high-spin iron assuming the substitution of Ca by Fe2+. However, it cannot be excluded that Fe2+ may occupy a more asymmetric site within the microstructural cavity occupied by Ca and a H2O molecule.

  17. YPdSn and YPd{sub 2}Sn: Structure, {sup 89}Y solid state NMR and {sup 119}Sn Moessbauer spectroscopy

    SciTech Connect

    Hoeting, Christoph; Eckert, Hellmut; Langer, Thorsten; Schellenberg, Inga; Poettgen, Rainer

    2012-06-15

    The stannides YPdSn and YPd{sub 2}Sn were synthesized by high-frequency melting of the elements in sealed tantalum tubes. Both structures were refined on the basis of single crystal X-ray diffractometer data: TiNiSi type, Pnma, a=715.4(1), b=458.8(1), c=789.1(1) pm, wR2=0.0461, 510 F{sup 2} values, 20 variables for YPdSn and MnCu{sub 2}Al type, Fm3 Macron m, a=671.44(8), wR2=0.0740, 55 F{sup 2} values, 5 parameters for YPd{sub 2}Sn. The yttrium atoms in the new stannide YPdSn are coordinated by two tilted Pd{sub 3}Sn{sub 3} hexagons (ordered AlB{sub 2} superstructure). In the Heusler phase YPd{sub 2}Sn each yttrium atom has octahedral tin coordination and additionally eight palladium neighbors. The cubic site symmetry of yttrium is reflected in the {sup 119}Sn Moessbauer spectrum which shows no quadrupole splitting. In contrast, YPdSn shows a single signal at {delta}=1.82(1) mm/s subjected to quadrupole splitting of {Delta}E{sub Q}=0.93(1) mm/s. Both compounds have been characterized by high-resolution {sup 89}Y solid state NMR spectroscopy, which indicates the presence of strong Knight shifts. The spectrum of YPd{sub 2}Sn is characterized by an unusually large linewidth, suggesting the presence of a Knight shift distribution reflecting local disordering effects. The range of {sup 89}Y Knight shifts of several binary and ternary intermetallic yttrium compounds is briefly discussed. - Graphical abstract: YPdSn and YPd{sub 2}Sn: Structure, {sup 89}Y solid state NMR and {sup 119}Sn Moessbauer spectroscopy. Highlights: Black-Right-Pointing-Pointer Synthesis and structure of ternary stannides YPdSn and YPd{sub 2}Sn. Black-Right-Pointing-Pointer {sup 119}Sn Moessbauer spectroscopic investigation of YPdSn and YPd{sub 2}Sn. Black-Right-Pointing-Pointer {sup 89}Y solid state NMR of intermetallics.

  18. A CEMS search for precipitate formation in 57Fe implanted ZnO

    NASA Astrophysics Data System (ADS)

    Bharuth-Ram, Krishanlal; Masenda, Hilary; Doyle, Terence B.; Geburt, Sebastian; Ronning, Carsten; Gunnlaugsson, Harald Palle

    2012-03-01

    Conversion electron Mössbauer Spectroscopy measurements have been made on ZnO single crystals implanted with 60 keV 57Fe to 4 and 8 at.% peak concentrations, and annealed up to 800°C. The spectra show quite strong changes with annealing, but no evidence of magnetic components, thus precluding the formation of large sized precipitates or secondary phases. Above an annealing temperature of 650°C, the dominant spectral component is a doublet with hyperfine parameters typical of Fe3 + , which is attributed to Fe3 + ions in nano-precipitates ˜5 nm in size.

  19. Microwave absorption and 57Fe Mössbauer properties of Ni-Ti doped barium hexaferrite

    NASA Astrophysics Data System (ADS)

    Harker, S. J.; Stewart, G. A.; Hutchison, W. D.; Amiet, A.; Tucker, D.

    2015-04-01

    The impact of doping the Fe component of barium hexaferrite with Ni0.5Ti0.5 is investigated using x-ray powder diffraction, 57Fe Mössbauer spectroscopy and microwave network analysis. The dopant ions exhibit a preference for the 2 b, 4 f 2 and 12 k-sites and the unit cell volume is observed to decrease. The ferromagnetic resonance frequency is reduced by about 11.5 GHz for each additional dopant ion per formula unit.

  20. X-ray powder diffraction and 57Fe Mössbauer spectroscopy of synthetic trioctahedral micas {K}[Me3]

    NASA Astrophysics Data System (ADS)

    Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Bernroider, M.; Tippelt, G.; Roth, G.

    2005-11-01

    Trioctahedral 1 M micas have been synthesized along (pseudo)binary joins using hydrothermal techniques and controlled oxygen fugacities. Octahedrally coordinated iron in annite {K}[Fe3]57Fe Mössbauer spectroscopy. With increasing substitution of iron by smaller divalent cations the quadrupole splitting distribution (QSD) evolves from a broad bimodal distribution in annite to a smaller unimodal distribution in Mg2+ and Ni2+-rich samples so that for high substitution rates more regular local environments are dominating. These results, however, can not be interpreted in terms of an octahedral cation ordering scheme. For none of the micas investigated reliable Fe2+ M2/M1 area ratios can be extracted. fMoreover, the complete QSD is shifted towards higher quadrupole splitting values. Similar observations were obtained for substituting Fe2+ by Mg2+ and Ni2+ in tetra-ferri-annite free of octahedral coordinated trivalent cations. Unlike in the Al3+ bearing micas a third QSD component is missing which supports the claim that the appearance of this third QSD component is closely related to the presence of trivalent cations (Al3+, Fe3+) in octahedra coordination.

  1. Nuclear resonant x-ray spectroscopy of (Mg,Fe)SiO{sub 3} orthoenstatites.

    SciTech Connect

    Jackson, J. M.; Hamecher, E. A.; Sturhahn, W.; X-Ray Science Division; California Inst. of Tech.

    2009-05-01

    We present nuclear resonant inelastic X-ray scattering (NRIXS) and synchrotron Moessbauer spectroscopy (SMS) measurements, both nuclear resonant X-ray spectroscopic methods, on synthetic samples of orthoenstatite-structured (Mg,{sup 57}Fe)SiO{sub 3}, a representative component in Earth's upper mantle. All measurements were performed at ambient conditions. NRIXS spectra were measured for three samples of orthoenstatite containing 20, 13, and 7 mol% FeSiO{sub 3}. The Debye sound velocities were determined from the low-energy region of the partial phonon density of states (PDOS). With known density and bulk modulus, the shear modulus, compressional and shear wave velocities have been computed. The sound velocities obtained from NRIXS are in good agreement with sound velocities obtained using Brillouin spectroscopy and ultrasonic methods for similar compositions. An important advantage of NRIXS is access to additional thermodynamic information, such as the average force constant, mean-square displacement, obtained from the PDOS. We discuss the contribution of the vibrational spectra to these quantities. In addition to the PDOS, the electronic environment of the iron sites in (Mg{sub 0.87}{sup 57}Fe{sub 0.13})SiO{sub 3} orthoenstatite was determined using {sup 57}Fe SMS and conventional Moessbauer spectroscopy. Evaluation of the Moessbauer spectra reveals two distinct iron sites, which are well distinguished by their hyperfine fields. The minority and majority sites are consistent with high-spin Fe{sup 2+} in the M1 and M2 sites, respectively.

  2. Magnetic behaviour and DCEMS study of SnO2 films implanted with 57Fe

    NASA Astrophysics Data System (ADS)

    Nomura, K.; Iio, S.; Hirose, Y.; Reuther, H.; Nakanishi, A.

    2013-04-01

    Fe implanted SnO2 films (5 × 1016 and 1 × 1017 57Fe ions/cm2) characterized by conversion electron Mossbauer spectroscopy (CEMS) are reviewed. The substrate temperatures affect the growth of precipitated iron oxides. The Fe ion implanted film at room temperature (RT) shows no Kerr effect and no magnetic sextet in CEM spectra. The SnO2 film implanted with 57Fe at the substrate temperature of 300 °C show a small Kerr effect although the magnetic sextet is not observed, but post-annealing results in the disappearance of the Kerr effect. This magnetism is considered to be due to defect induced magnetism. Some samples were measured by CEMS at 15 K. SnO2 (0.1 at %Sb and 3 at %Sb) films, implanted at 500 °C and the post-annealed samples, show RT ferromagnetism due to formation of clusters of magnetite and maghemite, respectively. The layer by layer analysis of these films within 100 nm in thickness has been done by depth sensitive CEMS (DCEMS) using a He + 5 % CH4 gas counter. The structures and compositions of Fe implanted SnO2 films, and the effects due to post-annealing were investigated.

  3. Moessbauer assessment of cation disorder in columbite-tantalite minerals

    SciTech Connect

    Augsburger, M.S.; Pedregosa, J.C.; Sosa, G.M.; Mercader, R.C.

    1999-03-01

    The authors have used X-ray diffraction and Moessbauer spectroscopy to investigate the cationic disorder between crystallographic sites of a columbite-tantalite series of pegmatites. The X-ray results show that the pegmatites have different degrees of crystallographic disorder according to the quarries where the samples come from. Moessbauer spectra allow us to distinguish two Fe{sup 2+} different sites. A simple model assuming equal f-factors and occupation probabilities both for Fe and Mn has been used to turn the relative populations for Fe yielded by Moessbauer spectroscopy into effective site occupancy of the 2+ ions. A well-known empirical formula applied to X-ray results to obtain cationic disorder has been found to correlate within experimental errors with the percentage of cationic ordering obtained by Moessbauer spectroscopy.

  4. Interface and temperature dependent magnetic properties of 57Fe/Ti/Co multilayers

    NASA Astrophysics Data System (ADS)

    Jain, Vishal; Lakshmi, N.; Sudheesh, V. D.; Jain, Vivek Kumar; Reddy, V. R.; Venugopalan, K.; Gupta, Ajay

    2014-09-01

    The effect of thermal annealing on the interface of 57Fe/Ti/Co multilayer and associated changes in microstructure, hyperfine field and bulk magnetic properties such as saturation magnetization, coercivity and squareness has been studied by X-ray diffraction, X-ray reflectivity, conversion electron Mössbauer spectroscopy and vibrating sample magnetometry. With increase in annealing temperature, interdiffusion leads to an increase in the roughness, hyperfine fields and coercivity along with a decrease in saturation magnetization. Annealing at 823 K leads to the formation of a FeCo phase along with the precipitation of Ti. The electrical resistivity (ρ) of the as-deposited sample decreases on annealing and hence the thermal coefficient of resistance (TCR) goes from negative to positive on annealing the samples. All samples show Curie temperature in excess of 723 K.

  5. 57Fe75Mo8Cu1B16 metallic glass studied by CEMS, CXMS and HEXRD

    NASA Astrophysics Data System (ADS)

    Cesnek, Martin; Miglierini, Marcel; Bednarčík, Jozef

    2016-10-01

    57Fe75Mo8Cu1B16 metallic glass prepared by single roller melt spinning was investigated by conversion electron Mössbauer spectroscopy, conversion X-ray Mössbauer spectroscopy and high-energy X-ray diffraction. All methods confirmed presence of amorphous structure without traces of a crystalline phase. Results obtained by Mössbauer spectrometry suggest predominant appearance of magnetic regions on side of the ribbon which was in contact with the quenching wheel. In situ High-energy X-ray diffraction experiment revealed transition from ferromagnetic to paramagnetic state and it was even possible to estimate the Curie temperature.

  6. The 57Fe Synchrotron Mössbauer Source at the ESRF.

    PubMed

    Potapkin, Vasily; Chumakov, Aleksandr I; Smirnov, Gennadii V; Celse, Jean Philippe; Rüffer, Rudolf; McCammon, Catherine; Dubrovinsky, Leonid

    2012-07-01

    The design of a (57)Fe Synchrotron Mössbauer Source (SMS) for energy-domain Mössbauer spectroscopy using synchrotron radiation at the Nuclear Resonance beamline (ID18) at the European Synchrotron Radiation Facility is described. The SMS is based on a nuclear resonant monochromator employing pure nuclear reflections of an iron borate ((57)FeBO(3)) crystal. The source provides (57)Fe resonant radiation at 14.4 keV within a bandwidth of 15 neV which is tunable in energy over a range of about ±0.6 µeV. In contrast to radioactive sources, the beam of γ-radiation emitted by the SMS is almost fully resonant and fully polarized, has high brilliance and can be focused to a 10 µm × 5 µm spot size. Applications include, among others, the study of very small samples under extreme conditions, for example at ultrahigh pressure or combined high pressure and high temperature, and thin films under ultrahigh vacuum. The small cross section of the beam and its high intensity allow for rapid collection of Mössbauer data. For example, the measuring time of a spectrum for a sample in a diamond anvil cell at ∼100 GPa is around 10 min, whereas such an experiment with a radioactive point source would take more than one week and the data quality would be considerably less. The SMS is optimized for highest intensity and best energy resolution, which is achieved by collimation of the incident synchrotron radiation beam and thus illumination of the high-quality iron borate crystal within a narrow angular range around an optimal position of the rocking curve. The SMS is permanently located in an optics hutch and is operational immediately after moving it into the incident beam. The SMS is an in-line monochromator, i.e. the beam emitted by the SMS is directed almost exactly along the incident synchrotron radiation beam. Thus, the SMS can be easily utilized with all existing sample environments in the experimental hutches of the beamline. Owing to a very strong

  7. Mark of the Moessbauer

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This image, taken by an instrument called the microscopic imager on the Mars Exploration Rover Spirit, reveals an imprint left by another instrument, the Moessbauer spectrometer. The imprint is at a location within the rover wheel track named 'Middle of Road.' Both instruments are located on the rover's instrument deployment device, or 'arm.'

    Not only was the Moessbauer spectrometer able to gain important mineralogical information about this site, it also aided in the placement of the microscopic imager. On hard rocks, the microscopic imager uses its tiny metal sensor to determine proper placement for best possible focus. However, on the soft martian soil this guide would sink, prohibiting proper placement of the microscopic imager. After the Moessbauer spectrometer's much larger, donut-shaped plate touches the surface, Spirit can correctly calculate where to position the microscopic imager.

    Scientists find this image particularly interesting because of the compacted nature of the soil that was underneath the Moessbauer spectrometer plate. Also of interest are the embedded, round grains and the fractured appearance of the material disturbed within the hole. The material appears to be slightly cohesive. The field of view in this image, taken on Sol 43 (February 16, 2004), measures approximately 3 centimeters (1.2 inches) across.

  8. The 57Fe hyperfine interactions in human liver ferritin and its iron-polymaltose analogues: the heterogeneous iron core model

    NASA Astrophysics Data System (ADS)

    Oshtrakh, M. I.; Alenkina, I. V.; Semionkin, V. A.

    2016-12-01

    Human liver ferritin and its iron-polymaltose pharmaceutical analogues Ferrum Lek, Maltofer® and Ferrifol® were studied using Mössbauer spectroscopy at 295 and 90 K. The Mössbauer spectra were fitted on the basis of a new model of heterogeneous iron core structure using five quadrupole doublets. These components were related to the corresponding more or less close-packed iron core layers/regions demonstrating some variations in the 57Fe hyperfine parameters for the studied samples.

  9. An 57Fe Mössbauer study of three Australian L5 ordinary-chondrite meteorites: dating Kinclaven-001

    NASA Astrophysics Data System (ADS)

    Cadogan, J. M.; Rebbouh, L.; Mills, J. V. J.; Bland, P. A.

    2013-12-01

    Three L5-type ordinary chondrite meteorites recovered from the Nullarbor Region of Western Australia were studied by 57Fe Mössbauer spectroscopy: Kinclaven-001, Camel Donga-007 and Gunnadorah-002. The relative amounts of the various Fe-bearing phases including the primary minerals (Olivine, Pyroxene, Troilite and Fe-Ni metal) and the ferric alteration products (Goethite, Maghemite/Magnetite) were obtained to determine the percentage of iron converted to Fe3 + by weathering processes. These data allow us to estimate the terrestrial age of Kinclaven-001 at 1,700 ± 1,300 yrs.

  10. Moessbauer-Fresnel zone plate as nuclear monochromator

    SciTech Connect

    Mooney, T.M.; Alp, E.E.; Yun, W.B.

    1992-06-01

    Zone plates currently used in x-ray optics derive their focusing power from (a spatial variation of) the electronic refractive index -- that is, from the collective effect of electronic x-ray-scattering amplitudes. Nuclei also scatter x rays, and resonant nuclear-scattering amplitudes, particularly those associated with Moessbauer fluorescence, can dominate the refractive index for x-rays whose energies are very near the nuclear-resonance energy. A zone plate whose Fresnel zones are filled alternately with {sup 57}Fe and {sup 56}Fe ({sup 57}Fe has a nuclear resonance of natural width {Gamma} = 4.8 nano-eV at 14.413 keV; {sup 56}Fe has no such resonance) has a resonant focusing efficiency; it focuses only those x-rays whose energies are within several {Gamma} of resonance. When followed by an absorbing screen with a small pinhole, such a zone plate can function as a synchrotron-radiation monochromator with an energy resolution of a few parts in 10{sup 12}. The energy-dependent focusing efficiency and the resulting time-dependent response of a resonant zone plate are discussed.

  11. 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.

  12. 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.

  13. Magnetic hyperfine field at diluted {sup 57}Fe in vapor-quenched heavy-rare-earth films

    SciTech Connect

    Passamani, E.C.; Baggio-Saitovitch, E.; Micklitz, H.

    1997-05-01

    In this work, we combine vapor-quenching technique at low temperature (20 K) and {ital in situ} {sup 57}Fe M{umlt o}ssbauer spectroscopy at different temperatures (7{endash}300 K) to study out-of-equilibrium solubility and magnetic properties of {sup 57}Fe(5at.{percent}) in some magnetic heavy-rare-earth (RE) metals (RE=Dy, Ho, Er, and Tm). The spectra were fitted using the full Hamiltonian including electric quadrupole and magnetic interactions. Two magnetic components are observed in the 7 K M{umlt o}ssbauer spectra: one with a magnetic hyperfine field (B{sub hf}) varying between 5.3(2) and 1.9(2) T, which has been attributed to Fe at a substitutional site, and the other one, with a smaller field ({lt}2.1T), which is assumed to be due to Fe at an interstitial site. The behavior of B{sub hf} for Fe at the substitutional site in the different RE metals scales with the de Gennes factor. {copyright} {ital 1997} {ital The American Physical Society}

  14. 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.

  15. 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.

  16. 237Np and 57Fe Mössbauer study of NpFeGa5

    NASA Astrophysics Data System (ADS)

    Homma, Y.; Nakada, M.; Nakamura, A.; Nasu, S.; Aoki, D.; Sakai, H.; Ikeda, S.; Yamamoto, E.; Haga, Y.; Ōnuki, Y.; Shiokawa, Y.

    2006-02-01

    57Fe and 237Np Mössbauer Ōmeasurements have been performed for NpFeGa5, which is one of the so-called neptunium 1-1-5 compounds. The 57Fe Mössbauer spectra below T N = 118 K show the magnetically ordered state. The magnitude of the hyperfine magnetic field at the 57Fe nucleus is determined to be 1.98 ± 0.05 T at 10 K. From the 237Np Mössbauer spectrum at 10 K, the hyperfine magnetic field at the 237Np nucleus is 203 T and the hyperfine coupling constant is determined to be 237 T/μB using the Np atomic magnetic moment of 0.86 μB determined by the neutron diffraction study.

  17. 237Np and 57Fe Mdssbauer study of NpFeGa5

    NASA Astrophysics Data System (ADS)

    Homma, Y.; Nakada, M.; Nakamura, A.; Nasu, S.; Aoki, D.; Sakai, H.; Ikeda, S.; Yamamoto, E.; Haga, Y.; Onuki, Y.; Shiokawa, Y.

    57Fe and 237Np Mössbauer Omeasurements have been performed for NpFeGa5, which is one of the so-called neptunium 1-1-5 compounds. The 57Fe Mössbauer spectra below T N=118 K show the magnetically ordered state. The magnitude of the hyperfine magnetic field at the 57Fe nucleus is determined to be 1.98 ± 0.05 T at 10K. From the 237Np Mössbauer spectrum at 10 K, the hyperfine magnetic field at the 237Np nucleus is 203 T and the hyperfine coupling constant is determined to be 237 T/μB using the Np atomic magnetic moment of 0.86 μB determined by the neutron diffraction study.

  18. {sup 57}Fe NMR study of multiferroic BiFeO{sub 3}

    SciTech Connect

    Pokatilov, V. S. Sigov, A. S.

    2010-03-15

    The effects of the {sup 57}Fe isotope content and high-frequency magnetic field amplitude h{sub 1} on the shape of the NMR spectrum of multiferroic BiFeO{sub 3} at T = 4.2 K are studied by pulsed nuclear magnetic resonance. The NMR spectrum shape and transverse relaxation time T{sub 2} are found to depend strongly on the {sup 57}Fe isotope content and h{sub 1} in multiferroic BiFeO{sub 3} in the presence of a spatial spin-modulated structure of a cycloid type. In a sample with a high {sup 57}Fe isotope content, the Suhl-Nakamura interaction contributes substantially to T{sub 2}. When these dynamic effects are taken into account for analysis of the NMR spectrum shape, an undisturbed (without an anharmonicity effect) spatial spin-modulated structure of a cycloid type is shown to exist in BiFeO{sub 3}.

  19. Mineralogy, 57Fe Mössbauer spectra and magnetization of chalcolithic pottery

    NASA Astrophysics Data System (ADS)

    Keller, R.; Masch, L.; Pohl, J.; Schmidbauer, E.

    2005-06-01

    Three chalcolithic pottery sherds, paint removed from the surface of each sherd, and an unheated red pigment (Tell-Halaf culture, Turkey) were analysed within the frame of archaeometric studies using mineralogical methods, 57Fe Mössbauer spectroscopy, magnetization and rotational hysteresis data. From mineralogical results, the individual minerals forming the cores of the sherds were determined. It was found that the sherds are lime-rich. High temperature X-ray analysis on comparable Ca-rich material showed that the established composition is consistent with a firing temperature of 750-950°C. Apart from the pigment, each Mössbauer spectrum of Fe-bearing components consists of dominating paramagnetic doublets, arising mostly from silicate phases, and of a six-line pattern with reduced intensity, due to ferri- and/or antiferromagnetic Fe-oxide phases. For three samples, an Fe3+ silicate component of the spectra is clearly dominating, which points to oxidizing conditions during firing. For the others Fe2+ and Fe3+ components occur in about equal intensities. For the pigment, the magnetic sextet is of similar intensity to the Fe3+ silicate component. From magnetic analysis of ferrimagnetic phases it follows that a low percentage of particles of solid solutions γ-Fe2O3 Fe3O4 exist, probably in part ≤0.1 μm in diameter. The ferrimagnetic particles of at least one paint are probably covered by a thin layer of hematite as found from rotational hysteresis data. An attempt is made to draw conclusions from the experimental results, regarding the firing conditions of the sherds and paints.

  20. Line broadening in the 77 K 57Fe-Mössbauer spectra of some ferrous iron-containing medicines

    NASA Astrophysics Data System (ADS)

    Arredondo S., P. I.; Barrero, C. A.; Garcia, K. E.; Greneche, J. M.

    We report line broadening in the 77 K 57Fe Mössbauer spectra of some commercially available medicines based on ferrous sulfates and on ferrous fumarates. While introducing only a single ferrous doublet is required to fit the RT spectra of all samples, on the contrary the line shapes of the 77 K spectra are properly described with two ferrous doublets. We discuss eight different static and dynamic hypotheses as possible physical origins for these two doublets, but finally we propose that the reasons are similar for the ferrous sulfates and for the ferrous fumarates containing medicines, and it can be due to the presence of easily dehydrated and hydrated ferrous compounds. The presence of several hydrated sulfates was confirmed by RT Raman spectroscopy. Possible implications of these results related with the hydrated character by which the active parts of the medicines are fabricated by the pharmaceutical companies are also discussed.

  1. Low temperature Raman and high field 57Fe Mossbauer study of polycrystalline GaFeO3.

    PubMed

    Sharma, Kavita; Raghavendra Reddy, V; Kothari, Deepti; Gupta, Ajay; Banerjee, A; Sathe, V G

    2010-04-14

    The magnetic and phonon properties of polycrystalline magnetoelectric/multiferroic GaFeO(3) are studied. Using high field (57)Fe Mossbauer spectroscopy, occupation of Fe is observed at four cation sites. A Fe population of about 6% is observed at the tetrahedral Ga1 site, which explains the observed pinched-like M-H curve and initial sharp increase of the magnetization. The calculated net magnetization value from Mossbauer data suggests that the Fe moment at the Ga1 site is parallel to Fe1 and opposite to that of Fe2 and Ga2 sites, resulting in ferrimagnetism. From low temperature Raman data, anomalous temperature variation in frequency at T(C) is observed for the mode at ∼700 cm(-1).

  2. 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.

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

    DOE PAGES

    Ma, Xiaoming; Ran, Sheng; Canfield, Paul C.; ...

    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

  4. Progressive Oxidation of Pyrite in Five Bituminous Coal Samples: An As XANES and 57Fe Mossbauer Spectroscopic Study

    SciTech Connect

    Kolker,A.; Huggins, F.

    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 O{sub 2} atmosphere; (3) room atmosphere (relative humidity {approx}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 {sup 57}Fe Mossbauer spectroscopy, respectively. Arsenic XANES spectroscopy shows progressive oxidation of pyritic As to arsenate, with wetted samples showing the most rapid oxidation. {sup 57}Fe Mossbauer spectroscopy also shows a much greater proportion of Fe{sup 3+} forms (jarosite, Fe{sup 3+} sulfate, FeOOH) for samples stored under wet conditions, but much less

  5. 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

  6. Ultra-soft magnetic properties and correlated phase analysis by {sup 57}Fe Mössbauer spectroscopy of Fe{sub 74}Cu{sub 0.8}Nb{sub 2.7}Si{sub 15.5}B{sub 7} alloy

    SciTech Connect

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

    2016-02-15

    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 Fe{sub 74}Cu{sub 0.8}Nb{sub 2.7}Si{sub 15.5}B{sub 7} 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.

  7. 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).

  8. 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.

  9. Moessbauer studies of rare earth-iron hydrides, carbides, and nitrides

    SciTech Connect

    Ryan, D.H.; Chen, X.; Altounian, Z. )

    1993-04-01

    The basic principles of Moessbauer spectroscopy are introduced in the context of magnetically ordered alloys. A description of fitting procedures is presented, emphasizing the use of information derived from other techniques and indicating reliability limits. Ways in which the local structural and magnetic information obtained from Moessbauer spectroscopy can be used to probe the effects of hydrogen, carbon, and nitrogen additions in R2Fe17 alloys are presented, as well as how to distinguish local and global changes. Even apparently large-scale effects, such as change in the magnetic easy direction, are shown to have clear local signatures. A new hybrid carbonitride of the 2-17 alloy series is introduced, which combines superior magnetic properties with enhanced thermal stability. The coherent two-phase structure of this material, revealed by Moessbauer spectroscopy, is used to emphasize the different information obtained from local and bulk measurements.

  10. Moessbauer effect: Study of disordered magnetic systems

    SciTech Connect

    Chang, Xiao Sha.

    1989-01-01

    This dissertation describes Moessbauer spectroscopy studies of two chemically disordered binary, crystalline alloys having the composition A{sub 1-x}B{sub x}. Both systems are random 3d Heisenberg ferromagnets. In each case both A and B atoms carry a magnetic moment. The first study concerns a Moessbauer absorber experiment on Fe{sub 1-x} V{sub x}, in which the disorder in the critical region is of the annealed random exchange type. To eliminate the effect of concentration inhomogeneity, the measurement of the critical exponent {beta} was done on the alloy with x = 0.125, where dT{sub C}/dx = 0, yielding {beta} = 0.362(8) over the reduced temperature range 1.4 {times} 10{sup {minus}3} < t < 4.88 {times} 10{sup {minus}1}. This result confirms the theoretical prediction that the annealed disorder is irrelevant to critical behavior in this case. As expected the critical exponent {beta} is consistent with the expectation for the 3d Heisenberg model as well as the measured exponent of pure Fe. The second study involves a Moessbauer source experiment on {sup 57} CoPd{sub 0.80}Co{sub 0.20}, in which disorder is of the quenched random exchange type perturbed by a very weak random anisotropy interaction. The critical exponent {beta} deduced over the range 1 {times} 10{sup {minus}2} < t < 2 {times} 10{sup {minus}1} is 0.385(20), and is consistent with the theoretical prediction for quenched disordered 3d Heisenberg systems: the disorder is irrelevant to the critical behavior. However, because of the restricted range of reduced temperature, the result is insufficiently asymptotic to serve as a conclusive test of the theory. Outside the critical region the distribution of Fe{sup 57} hyperfine field in Pd{sub 0.80}Co{sub 0.20} is observed to have an anomalous temperature dependence characterized by a linear increase in the width of the field distribution for T/T{sub C} {ge} 0.6.

  11. 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.

  12. Thermal Transformations of Iron Cations in the System Metal-Vitreous Enamel Coat. Moessbauer Spectroscopic Study

    SciTech Connect

    Barcova, K.; Mashlan, M.; Zboril, R.; Hrabovska, K.

    2005-04-26

    Vitreous enameling on steel is carried out to provide a protective layer against chemical corrosion from the surrounding environment. The glass bonds with the steel to form a composite material. The Moessbauer spectroscopy was firstly applied to study the vitreous enameling in which the complex of processes, as diffusion of species, adhesion between the glass and the steel, galvanic reactions, plays an important role. The Moessbauer spectroscopy provides unique information about the Fe-phase structure of the vitreous enamel layer and that of the steel-enamel interface. Diffusion of iron from steel surface towards enamel layer and formation of a new Fe2+ phase was proved.

  13. 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.

  14. Moessbauer measurements of microstructural change in aged duplex stainless steel

    SciTech Connect

    Kirihigashi, A.; Sakamoto, N.; Yamaoka, T.; Nasu, S.

    1995-08-01

    A duplex stainless steel (ASME SA351 CF8M) has usually been manufactured by a continuous casting technique. It consists of a paramagnetic austenite phase and a ferromagnetic ferrite phase. It has been known that the ferrite phase decomposition occurs in this steel after aging between 300 and 450 C. As a result of phase decomposition, a Fe-rich phase and a Cr-rich phase are produced in the ferrite phase. It is difficult to detect the phase decomposition even by not only optical microscopy but also transmission electron microscopy, since the decomposed structure is very fine. However, Moessbauer measurements that can detect the magnetic hyperfine field of magnetic substance may detect the microstructural change. An averaged magnetic hyperfine field increases in the ferrite phase, due to the production of the Fe-rich phase which has high magnetic hyperfine field. Therefore, the authors investigated the phase decomposition of the duplex stainless steel caused by aging, utilization Moessbauer spectroscopy which has capability of detecting this structural change in the atomic level quantitatively. The authors also investigated the potential of backscattering Moessbauer method for NDE technique.

  15. 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

  16. Multilevel relaxation model for describing the Moessbauer spectra of nanoparticles in a magnetic field

    SciTech Connect

    Chuev, M. A.

    2012-04-15

    A theory is developed for the Moessbauer absorption spectra of an ensemble of single-domain particles in a magnetic field. This theory is based on the generalization of a relaxation model with a quantummechanical description of the stationary states of a particle and on the formalism of Liouville operators for describing the hyperfine interaction for a hyperfine field changing in both the magnitude and direction for various stationary states. The general scheme of calculating relaxation Moessbauer spectra in terms of a standard stochastic approach is substantially optimized using operations with block matrices and a unique tridiagonalization of high-rank non-Hermitian matrices with a simple nonorthogonal transformation in the calculation procedure. The resulting model can easily be implemented on a personal computer. It considers the physical mechanisms of formation of a hyperfine structure in a spectrum of nanoparticles in a real situation and self-consistently describes the qualitative features of the nontrivial evolution of spectra with the temperature and the magnetic-field direction and strength, which has been detected in {sup 57}Fe nucleus experiments performed on magnetic nanoparticles for half a century.

  17. 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

  18. 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

  19. Micromagnetic and Moessbauer spectroscopic investigation of strain-induced martensite in austenitic stainless steel

    SciTech Connect

    Meszaros, I.; Kaldor, M.; Hidasi, B.; Vertes, A.; Czako-Nagy, I.

    1996-08-01

    Strain-induced martensite in 18/8 austenitic stainless steel was studied. Magnetic measurements and Moessbauer spectroscopic investigations were performed to characterize the amount of {alpha}{prime}-martensite due to room-temperature plastic tensile loading. The effects of cold work and annealing heat treatment were explored using magnetic Barkhausen noise, saturation polarization, coercive force, hardness, and conversion electron Moessbauer spectroscopy. The suggested Barkhausen noise measurement technique proved to be a useful quantitative and nondestructive method for determining the ferromagnetic phase ratio of the studied alloy.

  20. Cronstedtite and iron sulfide mineralogy of CM-type carbonaceous chondrites from cryogenic Moessbauer spectra

    NASA Technical Reports Server (NTRS)

    Fisher, Duncan S.; Burns, Roger G.

    1993-01-01

    Determinations of oxidation states and the crystal chemistry of iron-bearing minerals in CM meteorites by Moessbauer spectroscopy are complicated by thermally-induced electron hopping in cronstedtite and by ill-defined contributions from the hydrous iron sulphide phase believed to be tochilinite. Moessbauer spectral measurements at 30 K of several cronstedtite and tochilinite specimens have enabled modal proportions of these minerals, as well as Fe(3+)/Fe(2+) ratios, to be determined quantitatively for a suite of CM-type carbonaceous chondrites that included Murchison, Murray, Cold Bokkeveld, ALH 83100, and LEW 90500.

  1. 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.

  2. Superconducting state of iron arsenide Ba1-xFeAs: 57Fe and 75As NMR studies

    NASA Astrophysics Data System (ADS)

    Nishimura, H.; Yashima, M.; Mukuda, H.; Kitaoka, Y.; Miyazawa, K.; Shirage, P. M.; Kiho, K.; Kito, H.; Eisaki, H.; Iyo, A.

    2010-12-01

    We report 57Fe and 75As NMR measurements of the novel normal and superconducting-state characteristics of the iron-arsenide superconductor BaKFeAsTc=38K. In the normal state, the measured Knight shift and nuclear spin-lattice relaxation rate (1/T1) demonstrate the development of wave-number (q)-dependent spin fluctuations, except at q=0, which may originate from the nesting across the disconnected Fermi surfaces. In the superconducting state, the spin component in the 57Fe-Knight shift decreases down to zero with decreasing T, evidencing that a spin-singlet superconducting state is realized in BaKFeAs.

  3. Moessbauer Study of Sphero-Conical Vessels from Bolgar

    NASA Astrophysics Data System (ADS)

    Ivanova, A. G.; Nuretdinova, A. R.; Pyataev, A. V.; Valiulina, S. I.; Voronina, E. V.

    2017-05-01

    Samples of sphero-conical vessels found in mass quantities in the ancient settlement Bolgar were analyzed by Moessbauer spectroscopy. Wares with relatively low annealing temperatures <500°C and having a ratio Fepar/Fe2+ ≤ 1.11 in transmission spectra were differentiated from those with high ones. The detected value of {Fe}_{par}^{3+} /Fe2+ was considerably less than the value of 2.69 that was characteristic of raw materials for pottery production in the vicinity of the selected settlement. This indicated that other non-local sources of raw materials existed in the medieval handicraft center.

  4. Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.

    PubMed

    Peng, Yan; Mereacre, Valeriu; Anson, Christopher E; Powell, Annie K

    2016-08-03

    A [DyFeDy(μ3-OH)2(pmide)2(p-Me-PhCO2)6] coordination cluster, where pmideH2 = N-(2-pyridylmethyl)iminodiethanol, has been synthesized and the magnetic properties studied. The dc magnetic measurements reveal dominant antiferromagnetic interactions between the metal centres. The ac measurements reveal zero-field quantum tunnelling of the magnetisation (QTM) which can be understood, but not adequately modelled, in terms of at least three relaxation processes when appropriate static (dc) fields are applied. To investigate this further, (57)Fe Mössbauer spectroscopy was used and well-resolved nuclear hyperfine structures could be observed, showing that on the Mössbauer time scale, without applied field or else with very small applied fields, the iron nuclei experience three or more superhyperfine fields arising from the slow magnetisation reversal of the strongly polarized fields of the Dy(III) ions.

  5. Site characterization of 57Fe implanted in epitaxial thin films of Y 1Ba 2Cu 3O 7-δ by conversion electron Mössbauer technique

    NASA Astrophysics Data System (ADS)

    Vedawyas, M.; Bhagwat, A.; Marest, G.; Jaffrezic, H.

    1997-02-01

    Identification of Fe sites in doped Y 1Ba 2Cu 3O 7-δ thin films has been done using conversion electron Mössbauer spectroscopy (CEMS). We have used the ion implantation technique to achieve very a low concentration of 57Fe in Y 1Ba 2(Cu (1- x) Fe x) 3O 7-δ thin films with 0.01 < x < 0.05. The preferences of the populated Cu sites and their evolution with thermal treatment is discussed in detail. The Fe ions occupy predominantly square pyramidal chain sites and quasi-octahedral plane sites; this has not been observed for Y 1Ba 2(Cu (1- x) Fe x) 3O 7-δ prepared via the normal thermodynamic route. Some phenomenological mechanisms for the differences in the observations is discussed.

  6. Exogenous iron redistribution between brain and spleen after the administration of the 57Fe3O4 ferrofluid into the ventricle of the brain

    NASA Astrophysics Data System (ADS)

    Gabbasov, Raul; Polikarpov, Dmitry; Cherepanov, Valery; Chuev, Michael; Mischenko, Ilya; Loginiva, Nadezhda; Loseva, Elena; Nikitin, Maxim; Panchenko, Vladislav

    2017-04-01

    Iron clearance pathways after the injection of 57Fe3O4-based dextran-stabilized ferrofluid into the brain ventricles were studied by Mössbauer spectroscopy and histologically. The nanoparticles appeared in spleen tissues within 3 h after transcranial injection. We separated and independently estimated concentrations of iron encapsulated in nanoparticles and iron encapsulated in proteins in the all rat organs. It was found that the dextran coated initial nanoparticles of the ferrofluid disintegrated in the brain into separate superparamagnetic nanoparticles within a week after the injection.The nanoparticles completely exited from the brain in a few weeks. The exogenous iron appeared in the spleen in 3 h after the injection and remained in the spleen for more than month. The appearance of additional component in Mössbauer spectra of spleen samples revealed a fundamental difference in the mechanisms of processing of iron nanoparticles in this organ, which was also confirmed by histological examination.

  7. Mössbauer and X-ray study of biodegradation of 57Fe3 O 4 magnetic nanoparticles in rat brain

    NASA Astrophysics Data System (ADS)

    Gabbasov, R. R.; Cherepanov, V. M.; Chuev, M. A.; Lomov, A. A.; Mischenko, I. N.; Nikitin, M. P.; Polikarpov, M. A.; Panchenko, V. Y.

    2016-12-01

    Biodegradation of a 57Fe3 O 4 - based dextran - stabilized ferrofluid in the ventricular cavities of the rat brain was studied by X-ray diffraction and Mössbauer spectroscopy. A two-step process of biodegradation, consisting of fast disintegration of the initial composite magnetic beads into separate superparamagnetic nanoparticles and subsequent slow dissolution of the nanoparticles has been found. Joint fitting of the couples of Mössbauer spectra measured at different temperatures in the formalism of multi-level relaxation model with one set of fitting parameters, allowed us to measure concentration of exogenous iron in the rat brain as a function of time after the injection of nanoparticles.

  8. Galvanostatic charge-discharge tests, 57Fe and 119Sn Mössbauer and XRD measurements on novel Sn-Ni-Fe electrodeposits

    NASA Astrophysics Data System (ADS)

    Lak, G. B.; Kuzmann, E.; El-Sharif, M.; Chisholm, C. U.; Stichleutner, S.; Homonnay, Z.; Sziráki, L.

    2013-04-01

    Novel Sn-Ni-Fe ternary alloys were successfully deposited by pulse plating technique from an electrolyte based on sodium gluconate which acts as a complexing agent. XRD results revealed the predominantly amorphous character for the majority of the deposits. 57Fe and 119Sn conversion electron Mössbauer spectroscopy indicated the formation of a paramagnetic amorphous alloy using a short on-pulse duration and where the Fe content was less than 22 wt.%. Galvanostatic charge-discharge tests of the novel Sn-Ni-Fe deposits were carried out in a model Li-ion cell and indicated that the Sn-Ni-Fe alloys have potential as an electrode material.

  9. Moessbauer Analysis of Low-Temperature Bainite

    SciTech Connect

    Bruna, P.; Crespo, D.; Garcia-Mateo, C.; Bhadeshia, H.K.D.H.

    2005-04-26

    Low-temperature bainite, obtained by the transformation of austenite at temperatures as low as 200 deg. C for times as large as several days, has been reported to have extraordinary mechanical properties including the highest reported hardness of any bainitic steel. The unusual properties are a consequence of the fine scale of the microstructure, which contains bainite plates with thickness in the range 20-40 nm. The microstructure also contains carbon-enriched retained austenite which contributes to the properties via a number of mechanisms. In this work, the microstructure of a high carbon bainitic steel with Si to avoid cementite precipitation and Co to accelerate the transformation has been studied using Moessbauer spectroscopy for a series of samples transformed isothermally at 200 deg. C for time periods of 26, 34 and 96 hours. The total austenite content is almost identical ({approx}13 wt%) for these samples although the carbon concentrations of the phases differ as a function of transformation time. The austenite increases its carbon content from 5.4 atomic % after 26 h transformation to 6.3 at.% after 96 h, while the final bainitic phase retains about 2.2 at.% of C. These results are consistent with data obtained using atom probe tomography for samples transformed isothermally for 12 days.

  10. Hydrometallurgical Extraction of Zinc and Copper A 57Fe-Mössbauer and XRD Approach

    NASA Astrophysics Data System (ADS)

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

    2005-02-01

    The most commonly used route in the hydrometallurgical extraction of zinc and copper from a sulphide ore is the concentrate roast leach electro winning process. In the present investigation a zinc copper ore from the Maranda mine, located in the Murchison Greenstone Belt, South Africa, containing sphalerite (ZnS) and chalcopyrite (CuFeS2), was studied. The 57Fe-Mössbauer spectrum of the concentrate yielded pyrite, chalcopyrite and clinochlore, consistent with XRD data. Optimal roasting conditions were found to be 900°C for 3 h and the calcine produced contained according to X-ray diffractometry equal amounts of franklinite (ZnFe2O4) and zinc oxide (ZnO) and half the amount of willemite (Zn2SiO4). The Mössbauer spectrum showed predominantly franklinite (59%), hematite (6%) and other Zn- or Cu-depleted ferrites (35%). The latter could not be detected by XRD analyses as peak overlapping with other species occurred. Leaching was done with HCl, H2SO4 and HNO3, to determine which process would result in maximum recovery of Zn and Cu. More than 80% of both were recovered by using either one of the three techniques. From the residue of the leaching, the Fe-compounds were precipitated and <1% of the Zn and Cu was not recovered.

  11. 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.

  12. Design of the MsAa-4 Moessbauer Spectrometer

    SciTech Connect

    Blachowski, A.; Ruebenbauer, K.; Zukrowski, J.; Gornicki, R.

    2008-10-28

    An entirely new Moessbauer spectrometer MsAa-4 is currently being under design and construction. New features as compared to the basic features of the previous generation MsAa-3 spectrometer could be summarized as follows. Completely digital processing of the {gamma}-ray detector signal beyond the Gaussian shape filter/amplifier is to be implemented. The spectrometer is going to be able to accommodate external multiple detector heads. Up to 128 {gamma}-ray spectra in 16384 channels of 32-bit each and up to 512 Moessbauer spectra in 4096 channels of 32-bit each could be collected simultaneously, provided the proper external multiple detector head is used. The count-rate per single detector is limited to about 10{sup 5} counts per second in total. Improved precision of the reference function from 12-bit to 16-bit is to be provided. The reference function is stored in 8192 channels per a complete cycle. Addition of the random noise to the reference corner prism of the Michelson-Morley calibration interferometer is to be introduced to avoid spurious fringes due to the phase lock-up. An integrated universal temperature controller being able to use a variety of the temperature sensors is to be interconnected properly with the spectrometer. The spectrometer is now a stand-alone network device as it is equipped with the Ethernet connection to the outside world. Fast and high precision digital oscilloscope is to be incorporated to the spectrometer as the intrinsic unit. This oscilloscope could monitor signals at various crucial points of the internal spectrometer electronics. Modular design and use of the strict standards allows easy reconfiguration for other applications than Moessbauer spectroscopy.

  13. 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

  14. 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

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

    DOE PAGES

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

    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

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

    DOE PAGES

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

    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

  17. 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.

  18. Nano-structure analysis of Fe implanted SnO2 films by 57Fe and 119Sn CEMS

    NASA Astrophysics Data System (ADS)

    Nomura, Kiyoshi; Reuther, Helfried

    2009-06-01

    SnO2 films were implanted with 57Fe at substrate temperatures of room temperature and 300°C. The chemical states of Fe and Sn were characterized by 57Fe CEMS and 119Sn CEMS, respectively. The implanted Fe species exist as Fe(II) and Fe(III) in SnO2 films, which also are reduced into Sn(II)on the implanted surface. The as prepared and post annealed at 500°C samples did not show Kerr effect, but the sample implanted with 1 × 1017 Fe ions/cm2 at 300°C showed Kerr effect although magnetic sextets were not clearly observed in the 57Fe CEM spectra. The Kerr effect disappeared after annealing. It suggests that the number of magnetic defects decreases by absorption of oxygen. Magnetic relaxation appeared in the case of low implantation of 5 × 1016 Fe ions/cm2, which is considered to be due to anti-ferromagnetism or paramagnetic relaxation.

  19. Moessbauer analysis of heat affected zones of an SA 508 steel weld

    SciTech Connect

    Kwon, S.J.; Oh, S.J.; Kim, S.; Lee, S.; Kim, J.H.

    1998-12-18

    Microstructure of a heat affected zone (HAZ) in a weld is influenced by many factors such as chemical composition, welding condition, and peak temperature. It is more complex under multi-pass welding because of the repeated heat input. For the analysis of the HAZ microstructure, optical microscope, electron microscope, and X-ray diffraction techniques have been widely used. However, their application is limited since they can hardly make quantitative analysis of HAZ where numerous phases such as martensite, bainite, ferrite, pearlite, austenite, and carbides are co-existing. Moessbauer spectroscopy, in such a case, is particularly useful due to the capability of quantitative analysis on the fraction of each phase. In this study, phases present in the HAZ of an SA 508 steel were identified, and their fractions were quantitatively determined by Moessbauer spectroscopy in conjunction with microscopic observations.

  20. 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.

  1. 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.

  2. 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.

  3. Theory of Moessbauer line broadening due to diffusion

    SciTech Connect

    Schroeder, K.; Wolf, D.; Dederichs, P.H.

    1981-12-01

    We have calculated the line broadening of the Moessbauer line due to diffusion of Moessbauer atoms via single vacanices. We take into account the perturbation of vacancy jumps in the neighbourhood of an impurity Moessbauer atom (e.g. Fe in Al) using the 5-frequency model. The anisotropy of the line width is given by the Fourier transform of the final distribution of a Moessbauer atom after an encounter with a vacancy. This distribution is calculated by Monte Carlo computer simulation. 3 figures, 1 tables.

  4. 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.

  5. 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.

  6. 57Fe-NMR study on iron-oxypnictide superconductor LaFeAsO1-y

    NASA Astrophysics Data System (ADS)

    Mukuda, H.; Terasaki, N.; Yashima, M.; Kitaoka, Y.; Miyazawa, K.; Shirage, P. M.; Suzuki, S.; Miyasaka, S.; Tajima, S.; Kito, H.; Eisaki, H.; Iyo, A.

    2010-01-01

    We report systematic 57Fe-NMR study on an underdoped sample (Tc = 20 K), an optimally doped sample (Tc = 28 K), and an overdoped sample (Tc = 22 K) of oxygen-deficient iron (Fe)-based oxypnictide superconductor LaFeAsO1-y. The 57Fe-1/T1T in the normal state decreases significantly upon cooling regardless of an electron-doping level, revealing that 1/T1T is not always enhanced by antiferromagnetic fluctuations close to an antiferromagnetic phase in the underdoped superconducting sample. This contrasts with the behavior in hole-doped Ba0.6K0.4Fe2As2(Tc = 38 K), which exhibits a significant increase in 1/T1T upon cooling. We suggest that the crucial difference between the normal-state properties of LaFeAsO1-yand Ba0.6K0.4Fe2As2 originates from the fact that the relevant Fermi surface topologies are differently modified depending on whether electrons or holes are doped into the FeAs layers.

  7. 57Fe and Co tracer diffusion in liquid Fe-FeS at 2 and 5 GPa

    NASA Astrophysics Data System (ADS)

    Dobson, David P.

    2000-06-01

    Tracer diffusion in Fe-FeS eutectic melts has been measured at 2.2 and 5 GPa up to 150°C above the solidus using 57Fe and Co thin foils. A new horizontal furnace arrangement for the multi-anvil press is presented, which inhibits convection in the sample and allows diffusion measurements in inviscid materials. The measured diffusivities are identical for 57Fe and Co, and similar to those of pure metals (10 -4-10 -5 cm 2/s). The remarkable agreement between the measured diffusivities at 5 GPa and the value for the inner core boundary derived from ab initio simulations supports the semi-empirical prediction of Poirier [Poirier, J.P., 1988. Transport properties of liquid metals and viscosity of the Earth's core. Geophys. J. 92, 99-105.] and others that transport properties should be constant along a homologous path. The very high activation energies for diffusion ( QD 5 GPa=252±23 kJ/mol) agree well with published values for viscosity ( QV 5 GPa=240±72 kJ/mol) and imply a stronger causational link between metal diffusion and viscosity than previously suggested. That is, viscosity is not solely controlled by sulfur polymerization in the melt.

  8. Moessbauer and adhesion study of ion beam-modified Fe-PTFE interfaces

    NASA Astrophysics Data System (ADS)

    Ingemarsson, P. Anders; Ericsson, Tore; Wappling, Roger; Possnert, Goran

    Conversion electron Moessbauer spectroscopy was used to study ion beam-induced effects at Fe-PTFE thin film interfaces and to relate these effects to accompanying modifications in adhesion. Irradiation with 16 MeV S-32(3+) ions to doses in the range between 5 x 10 to the 11th and 2 x 10 to the 14th ions/sq cm was carried out before or after deposition of thin Fe-57 layers. For both pre- and post-bombardment, a substantial adhesion enhancement was observed. Associated with this were significant changes in the Moessbauer spectra indicating the formation of Fe-C and Fe-F compounds. This compound formation can be associated with the observed improvement in thin film adhesion.

  9. 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

  10. 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

  11. 57Fe Mössbauer Studies in Mo Fe Supported Catalysts

    NASA Astrophysics Data System (ADS)

    Castelão-Dias, M.; Costa, B. F. O.; Quinta-Ferreira, R. M.

    2001-09-01

    Industrially, the Mo Fe catalysts used in the selective oxidation of methanol to formaldehyde can rapidly deactivate. The use of support materials may reduce the high temperatures in the catalytic bed and/or increase thermal and mechanical resistance. However, during the preparation of these catalysts, or even during reaction conditions, the active species may react with the support material losing their catalytic activity. In this work silica, silicium carbide and titania were studied as supported catalysts by Mössbauer spectroscopy which proved to be a useful technique in the choice of supported materials.

  12. Magnetic ordering in57Fe-doped high- T c superconductors

    NASA Astrophysics Data System (ADS)

    Morrish, A. H.; Zhou, X. Z.; Luo, L. Y.; Li, Z. W.; Maartense, I.

    1990-07-01

    The high-temperature superconductor, Tl2CaBa2(Cu1- x Fe x )2O8+δ (the 2122 compound), has been investigated by a number of techniques, including X-ray diffraction, resistance and ac susceptibility measurements, and Mössbauer spectroscopy. The procedures followed to make close to single-phase samples are described. The decrease in the critical temperature for superconductivity, T c , is less than for the iron-doped 123 compounds. The Mössbauer spectra at 77 K and above consist of an asymmetric doublet. Below about 10 K magnetic hyperfine splitting occurs; relaxation effects are still present at 2.3 K. The spectra can be fitted with two overlapping patterns. Their origin is discussed: comparisons are made with other high- T c superconductors.

  13. 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.

  14. 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).

  15. 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.

  16. Single-Crystal 57Fe Q-Band ENDOR Study of the 4 Iron-4 Sulfur Cluster in its Reduced [4Fe-4S] 1+ State

    NASA Astrophysics Data System (ADS)

    Moriaud, Fabrice; Gambarelli, Serge; Lamotte, Bernard; Mouesca, Jean-Marie

    2001-12-01

    57Fe Q-band ENDOR has been used to study the [4Fe-4S]1+ state created by γ irradiation of single crystals of the synthetic model compound [N(C2H5)4]2[Fe4S4(SCH2C6H5)4] enriched in 57Fe. This compound is an excellent biomimetic model of the active sites of many 4 iron-4 sulfur proteins, enabling detailed and systematic studies of its oxidized [4Fe-4S]3+ and reduced [4Fe-4S]1+ paramagnetic states. Taking advantage of the fact that Q-band ENDOR, in contrast with X-Band ENDOR, allows for a very good separation of the 57Fe transitions from those of the protons, the complete hyperfine tensors of the four iron atoms for the [4Fe-4S]1+ species has been measured with precision. For each iron atom, the electron orbital and electron spin isotropic contributions have been determined separately. Moreover, it is remarkable that two 57Fe hyperfine tensors attributed to the ferrous pair of iron atoms are very different. In effect, one tensor presents a much larger anisotropic part and a much smaller isotropic part than those of the other. This difference has been interpreted in terms of a differential electron orbital hyperfine interaction among the two ferrous ions.

  17. 57 Fe Mössbauer and magnetic studies of Nd3Fe24.5Cr4.5

    NASA Astrophysics Data System (ADS)

    Wang, J. L.; Md Din, M. F.; Campbell, S. J.; Kennedy, S. J.; Yang, F. M.; Wu, G. H.; Dou, S. X.

    2015-04-01

    The structural and magnetic properties of the rare earth transition metal compound Nd 3Fe 24.5Cr 4.5 have been investigated by variable temperature high resolution x-ray diffraction together with DC magnetization and 57Fe Mössbauer effect measurements. The magnetic ordering temperature has been found to be T C= 423(5) K with spin reorientation detected below room temperature around T sr= 158(5) K. Rietveld refinements indicate that Nd 3Fe 24.5Cr 4.5 crystallizes in the Nd 3(Fe,Ti) 29-type structure with the A2/m space group and a substantial magneto-volume effect is detected around T C. The Mössbauer spectra can be fitted well using five sub-spectra. The temperature dependence of the average hyperfine field has been analysed in terms of different power laws of the reduced temperature. The Debye temperature of Nd 3Fe 24.5Cr 4.5 has been determined as 𝜃 D= 400(± 30) K from a fit to the variable temperature isomer shift IS(T).

  18. Moessbauer study of iron redox in West Valley glass

    SciTech Connect

    Yaschenko, E.; Salahuddin, H.; Muller, I.S.; Pegg, I.L.; Macedo, P.B.

    1994-12-31

    High-level nuclear wastes at West Valley are high in iron which results in a target glass composition for the vitrification process that contains about 12 wt% Fe{sub 2}O{sub 3}. We have developed a series of high-iron glass formulations (up to 21 wt% Fe{sub 2}O{sub 3}) in order to accommodate all reasonable waste stream variability. An additional process control variable is the glass redox ratio, Fe{sup 2+}/(Fe{sup 2+}+Fe{sup 3+}), since this affects the resultant glass properties including durability, crystallization, glass transition temperature, and melt viscosity. In this study, a range of redox states was obtained by bubbling CO/CO{sub 2} mixtures through the melts. The redox state was determined by Moessbauer spectroscopy and correlations between redox state and CO/CO{sub 2} ratio, flow rate, and time were obtained. Analysis of the spectroscopic data provides additional information on changes in the occupation of tetrahedral and octahedral sites with redox state.

  19. Structure, phase transitions, 55Mn NMR, 57Fe Mössbauer studies and magnetoresistive properties of La0.6Sr0.3Mn1.1-xFexO3

    NASA Astrophysics Data System (ADS)

    Pashchenko, A. V.; Pashchenko, V. P.; Revenko, Yu. F.; Prokopenko, V. K.; Shemyakov, A. A.; Levchenko, G. G.; Pismenova, N. E.; Kitaev, V. V.; Gufan, Yu. M.; Sil'cheva, A. G.; Dyakonov, V. P.

    2014-11-01

    The influence of substitution of Fe ions for manganese on the structure, phase transitions, magnetoresistance, 55Mn NMR and 57Fe Mössbauer spectra in the ceramic La0.6Sr0.3Mn1.1-xFexO3 (x=0-0.15) samples has been studied by X-ray diffraction, electron microscopy, magnetic, 55Mn NMR and 57Fe Mössbauer methods. The real rhombohedral perovskite structure (R3barc) is established to contain the different valence manganese ions (Mn3+ and Mn4+), anion and cation vacancies as well as nanostructural clusters with Mn2+ located in the A-sites. Temperature dependences of the a lattice parameter, a(T), demonstrate the anomalies near the Curie temperature, Tc. Wide asymmetric 55Mn NMR spectra confirm the high frequency electron double exchange between Mn3+ and Mn4+ ions and irregularity of their surrounding by other ions and defects. According to the Mössbauer spectroscopy data, Fe3+ ions (~80%) substitute for Mn3+ and partially Mn4+ in the B-positions. The rest of Fe3+ (Fe2+) ions and clusters with Mn2+ are located in the A-positions. The temperatures of metal-semiconductor and ferromagnet-paramagnet phase transitions are reduced with increasing x, and the magnetic irregularity increases due to the weakening high-frequency Mn3+↔Mn4+ double exchange by Fe3+ ions. The amount of ferromagnetic phase is also reduced. The anomalous hysteresis is interpreted as a result of anisotropy of exchange interaction between the ferromagnetic matrix and antiferromagnetic cluster containing MnA2+ ions. The phase diagram demonstrates the strong correlated interrelation among magnetic, transport and magnetoresistance properties.

  20. Novel iron complexes bearing N6-substituted adenosine derivatives: synthesis, magnetic, 57Fe Mössbauer, DFT, and in vitro cytotoxicity studies.

    PubMed

    Trávnícek, Zdenek; Mikulík, Jirí; Cajan, Michal; Zboril, Radek; Popa, Igor

    2008-09-15

    Iron complexes (1-7) involving N6-benzyladenosine derivatives of the predominant composition [Fe(L(n))Cl(3)].H(2)O {where L(1)=N6-(2-fluorobenzyl)adenosine (1), L(2)=N6-(4-fluorobenzyl)adenosine (2), L(3)=N6-(2-trifluoromethylbenzyl)adenosine (3), L(4)=N6-(3-trifluoromethylbenzyl)adenosine (4), L(5)=N6-(4-trifluoromethylbenzyl)adenosine (5), L(6)=N6-(4-trifluoromethoxybenzyl)adenosine (6), and L(7)=N6-(4-chlorobenzyl)adenosine (7)} have been synthesized. The compounds have been characterized by elemental analysis, variable-temperature and in-field 57Fe Mössbauer, ES+ MS, FTIR, 1H and 13C NMR spectroscopies, magnetochemical and conductivity measurements, thermal (TGA/DSC/DTA) analyses, and DFT calculations. It has been found that the organic molecule is coordinated to iron via N7 atom of the appropriate adenosine derivative and the products are represented by mixtures of complexes with various iron oxidation (Fe(III)/Fe(II)) and spin states (S=5/2, 4/2, 3/2, 2/2) and geometries (tetrahedral or trigonal bipyramidal). It is caused by the fact that partial redox processes proceed during the reactions due to the presence of a ribose moiety, which is oxidized to the corresponding 5'-ribotic acid, and simultaneously, a portion of Fe(III) cations is reduced to Fe(II) ones. Moreover, a significant effect of crystal water molecules on stereochemistry, and hence, on magnetic and spectral properties of the prepared complexes has been found. The compounds have been tested for their in vitro cytotoxicity against the following human cancer cell lines: malignant melanoma (G-361), osteogenic sarcoma (HOS), chronic myelogenous leukemia (K-562), and breast adenocarcinoma (MCF-7). The most important results have been obtained for complex 2 with IC(50) values 8-16 microM against HOS, K-562, and MCF-7 cell lines, and for complex 6 with IC(50) value 4 microM against MCF-7 cell line.

  1. 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.

  2. 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.

  3. Visualization of 57Fe-Labeled Heme Isotopic Fine Structure and Localization of Regions of Erythroblast Maturation in Mouse Spleen by MALDI FTICR-MS Imaging

    NASA Astrophysics Data System (ADS)

    Kihara, Makoto; Matsuo-Tezuka, Yukari; Noguchi-Sasaki, Mariko; Yorozu, Keigo; Kurasawa, Mitsue; Shimonaka, Yasushi; Hirata, Michinori

    2017-08-01

    Epoetin beta pegol (continuous erythropoiesis receptor activator; C.E.R.A.), or methoxy-polyethylene glycol-modified epoetin beta, is a long-acting erythropoiesis stimulating agent (ESA) that effectively maintains hemoglobin levels. It promotes proliferation of erythroid progenitor cells in hematopoietic organs and leads to increased reticulocyte and hemoglobin levels. However, the detailed erythropoietic effects of various ESAs on their target organs have yet to be clarified, and new approaches are needed to analyze tissue iron localization with structural information. Matrix-assisted laser desorption/ionization (MALDI) mass spectrometry imaging (MSI) techniques are widely used in basic pharmaceutical research. High-resolution Fourier transform ion cyclotron resonance (FTICR) mass spectrometry (MS) imaging enables the spatial mapping and identification of biomolecules. In this study, mice administered with C.E.R.A. were fed a diet containing the stable iron isotope 57Fe. The 57Fe-heme+ isotopic fine structure peak (m/z 617.1772) was separated from the non-labeled heme+ isotopic peak (Δ0.0029) by FTICR-MS with a resolving power of more than 500,000. We optimized the platform to analyze the distribution of 57Fe-heme in the spleen using MALDI FTICR-MS imaging. The combination of the ultrahigh resolution power of FTICR-MS and a stable isotope labeling technique has the potential to be very effective in basic pharmaceutical research. [Figure not available: see fulltext.

  4. Spin Fluctuations and Unconventional Superconductivity in the Fe-Based Oxypnictide Superconductor LaFeAsO0.7 Probed by 57Fe-NMR

    NASA Astrophysics Data System (ADS)

    Terasaki, Nobuyuki; Mukuda, Hidekazu; Yashima, Mitsuharu; Kitaoka, Yoshio; Miyazawa, Kiichi; Shirage, Parasharam M.; Kito, Hijiri; Eisaki, Hiroshi; Iyo, Akira

    2009-01-01

    We report 57Fe-NMR studies on the oxygen-deficient iron (Fe)-based oxypnictide superconductor LaFeAsO0.7 (Tc= 28 K) enriched by 57Fe isotope. In the superconducting state, the spin component of 57Fe-Knight shift decreases to almost zero at low temperatures, and the nuclear spin-lattice relaxation rate 57(1/T1) exhibits a T3-like dependence without the coherence peak just below Tc, which provide firm evidence of the unconventional superconducting state formed by spin-singlet Cooper pairing. All these events below Tc are consistently argued in terms of the extended s±-wave pairing with a sign reversal of the order parameter among Fermi surfaces. In the normal state, we found the remarkable decrease in 1/T1T upon cooling for both the Fe and As sites, which originates from the decrease in low-energy spectral weight of spin fluctuations over whole q space upon cooling below room temperature. Such behavior has never been observed for other strongly correlated superconductors where an antiferromagnetic interaction plays a vital role in mediating the Cooper pairing.

  5. 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).

  6. 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

  7. 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.

  8. (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.

  9. 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.

  10. Coupling Nuclear Induced Phonon Propagation with Conversion Electron Moessbauer Spectroscopy

    DTIC Science & Technology

    2015-06-18

    global AA PEAKHEIGHTS FIXEDPARAMETERS AUTOZERO delta BIPOLAR % peakfit.m version 5, February 2014 format short g format compact warning off...NumTrials) % % Construct model from best-fit parameters AA=zeros(NumPeaks,600); =linspace(min(xx),max(xx),600); % =linspace(min(xx)-length(xx...max(xx)+length(xx),200); for m=1:NumPeaks, switch peakshape(1) case 1 AA(m,:)=gaussian( ,FitParameters(2*m-1),FitParameters(2*m

  11. 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.

  12. Monte Carlo simulation of dose distribution in water around 57Fe3O4 magnetite nanoparticle in the nuclear gamma resonance condition

    NASA Astrophysics Data System (ADS)

    Gabbasov, R.; Polikarpov, M.; Safronov, V.; Sozontov, E.; Yurenya, A.; Panchenko, V.

    2016-12-01

    In this work was proposed a new radiotherapy enhancement method consisting of the administration of magnetic nanoparticles into the cells with further irradiation with a gamma-ray beam. As a result, adjusting the energy distribution of a gamma-ray beam and 57Fe abundance it is possible to achieve an extremely intensive electron emission because of a nuclear resonance. The produced conversion and Auger electrons can be used as an effective tool for DNA lesions production. We developed a Monte Carlo model for an electron and gamma emission by 57Fe nucleus using the Geant4 program package. The parameters of a resonant absorption were taken from Mössbauer spectra of magnetite nanoparticles synthesized for the administration into live cells. The space distribution of the radiation dose showed an increase in the dose of 2-2.5 times in the case of the natural abundance and more than 50 times in the case of the 66 % enrichment of the nanoparticles.

  13. 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.

  14. Moessbauer study of amorphous (FeTM){sub 80}B{sub 20}

    SciTech Connect

    Orue, I.; Plazaola, F.; Fernandez-Gubieda, M.L.; Gutierrez, J.; Barandiaran, J.M.

    1994-03-01

    As-cast ferromagnetic amorphous alloys of nominal composition (FeTM){sub 80}B{sub 20} have been studied by Moessbauer Spectroscopy, being TM one transition metal atom, Ni, Cr, Mo or Pd. A detailed analysis of the isomer shift, IS, and hyperfine field distribution, HFD, at Fe sites is reported in order to achieve some conclusions about the Chemical Short Range Order and the electronic structure in these alloys. HFD changes found in (FeNi)B for Ni rich concentrations suggest the existence of Fe atoms strongly interacting with Ni. Small amounts of Cr and Mo shift the HFD to lower values of hyperfine field, B{sub hf}, while Pd enhances the B{sub hf}.

  15. Mössbauer spectroscopy of Basal Ganglia

    NASA Astrophysics Data System (ADS)

    Miglierini, Marcel; Lančok, Adriana; Kopáni, Martin; Boča, Roman

    2014-10-01

    Chemical states, structural arrangement, and magnetic features of iron deposits in biological tissue of Basal Ganglia are characterized. The methods of SQUID magnetometry and electron microscopy are employed. 57Fe Mössbauer spectroscopy is used as a principal method of investigation. Though electron microscopy has unveiled robust crystals (1-3 μm in size) of iron oxides, they are not manifested in the corresponding 57Fe Mössbauer spectra. The latter were acquired at 300 K and 4.2 K and resemble ferritin-like behavior.

  16. Mössbauer spectroscopy of Basal Ganglia

    SciTech Connect

    Miglierini, Marcel; Lančok, Adriana; Kopáni, Martin; Boča, Roman

    2014-10-27

    Chemical states, structural arrangement, and magnetic features of iron deposits in biological tissue of Basal Ganglia are characterized. The methods of SQUID magnetometry and electron microscopy are employed. {sup 57}Fe Mössbauer spectroscopy is used as a principal method of investigation. Though electron microscopy has unveiled robust crystals (1-3 μm in size) of iron oxides, they are not manifested in the corresponding {sup 57}Fe Mössbauer spectra. The latter were acquired at 300 K and 4.2 K and resemble ferritin-like behavior.

  17. 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.

  18. 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.

  19. Search for 14.4 keV solar axions emitted in the M1-transition of 57Fe nuclei with CAST

    NASA Astrophysics Data System (ADS)

    CAST Collaboration; Andriamonje, S.; Aune, S.; Autiero, D.; Barth, K.; Belov, A.; Beltrán, B.; Bräuninger, H.; Carmona, J. M.; Cebrián, S.; Collar, J. I.; Dafni, T.; Davenport, M.; Di Lella, L.; Eleftheriadis, C.; Englhauser, J.; Fanourakis, G.; Ferrer-Ribas, E.; Fischer, H.; Franz, J.; Friedrich, P.; Geralis, T.; Giomataris, I.; Gninenko, S.; Gómez, H.; Hasinoff, M.; Heinsius, F. H.; Hoffmann, D. H. H.; Irastorza, I. G.; Jacoby, J.; Jakovčić, K.; Kang, D.; Königsmann, K.; Kotthaus, R.; Krcmar, M.; Kousouris, K.; Kuster, M.; Lakić, B.; Lasseur, C.; Liolios, A.; Ljubičić, A.; Lutz, G.; Luzón, G.; Miller, D.; Morales, J.; Ortiz, A.; Papaevangelou, T.; Placci, A.; Raffelt, G.; Riege, H.; Rodríguez, A.; Ruz, J.; Savvidis, I.; Semertzidis, Y.; Serpico, P.; Stewart, L.; Vieira, J.; Villar, J.; Vogel, J.; Walckiers, L.; Zioutas, K.

    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 57Fe, 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 gaγ|-1.19gaN0+gaN3| < 1.36 × 10-16 GeV-1 for ma < 0.03 eV at the 95% confidence level.

  20. Nuclear resonant scattering measurements on (57)Fe by multichannel scaling with a 64-pixel silicon avalanche photodiode linear-array detector.

    PubMed

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

    2014-11-01

    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(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(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 (57)Fe.

  1. 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.

  2. Isotopic hybrids of nitrogenase. Mössbauer study of MoFe protein with selective 57Fe enrichment of the P-cluster.

    PubMed

    McLean, P A; Papaefthymiou, V; Orme-Johnson, W H; Münck, E

    1987-09-25

    Previous Mössbauer and EPR studies of the MoFe protein (approximately 30 Fe and 2 Mo) of nitrogenase have revealed the presence of two unique clusters, namely, the P-clusters (presumably of the Fe4S4 type) and the molybdenum- and iron-containing cofactors (or M-clusters). Mössbauer components D (approximately 10-12 Fe) and Fe2+ (approximately 4 Fe) represent subsites of the P-clusters while component S (approximately 2 Fe) appeared to belong to a separate, unidentified cluster. In order to refine the analyses of Mössbauer spectra, we have constructed an isotopic hybrid of the Klebsiella pneumoniae protein which contains 57Fe-enriched P-clusters and 56Fe-enriched M-clusters. The highly resolved 57Fe Mössbauer spectra of this hybrid show that component S behaves spectroscopically like the P-cluster sites D and Fe2+ in oxidized and reduced MoFe protein. This suggests that S is a subset of the P-clusters rather than a different cluster type. The present study shows, for the first time, that the Debye-Waller factors of different P-cluster subsites have a different temperature dependence. Thus, the Fe2+/D absorption ratio is 4.0:10.0 at 4.2 K and 4.0:11.6 at 173 K. We propose that the reduced MoFe protein contains two pairs of P-clusters: one pair containing one Fe2+ and three D-sites and the other one Fe2+, two D, and one S-site. We have argued previously that the oxidized P-clusters occur in pairs as well.

  3. 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.

  4. 57Fe Mössbauer, SEM/EDX, p-XRF and μ-XRF studies on a Dutch painting

    NASA Astrophysics Data System (ADS)

    Lehmann, R.; Schmidt, H.-J.; Costa, B. F. O.; Blumers, M.; Sansano, A.; Rull, F.; Wengerowsky, D.; Nürnberger, F.; Maier, H. J.; Klingelhöfer, G.; Renz, F.

    2016-12-01

    The painting of a rich Jewish merchant "Bildnis eines jüdischen Kaufmanns" from the Netherlands is dated presumably to the 16th century. After a vivid historical background, i.e. robbed by the Nazis by order of Hermann Göring, it was recently discovered on an Austrian flea market. Different analysis methods were combined to identify the time of the production of this historically interesting looted art. Non-destructive MIMOS II Fe-57 Mössbauer spectroscopy was utilised for mesurements in selected spots. This mainly revealed haematite ( α-Fe2O3) in the red curtain. In spots of the brown jacket Mössbauer spectra indicated the presence of mainly Iron(III) in super-paramagnetic oxide or oxide-hydroxide. Consecutively SEM measurements revealed a restoration by partly over-painting. The elementary composition of the pigments was examined by a portable-X-ray fluorescence. μ-XRF analysis for element distribution at different areas was performed. The look into a crack showed Zinc-white at the bottom of the crack. Traces of Titanium-white could be found within some locations on the surface of the painting. In terms of provenance of the artwork, the presence of Zink-white suggests that the painting was painted around the 19th century. Titanium-white indicates a reconstruction during the 20th century, approximately between 1917 and 1958.

  5. Coexistence of magnetic fluctuations and superconductivity in SmFe0.95Co0.05AsO seen in 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Long, G.; Demarco, M.; Chudyk, M.; Steiner, J.; Coffey, D.; Zeng, H.; Li, Y. K.; Cao, G. H.; Xu, Z. A.

    2011-08-01

    The Mössbauer spectra (MS) of powder samples of SmFe1-xCoxAsO (x = 0.0, 0.05, and 0.1) were measured in applied fields up to 9 T and at temperatures up to 298 K. SmFeAsO is magnetically ordered with TN = 137 K and has a hyperfine magnetic field of (4.98 ± 0.18) T at 4.2 K. In applied magnetic fields, the MS is consistent with a distribution of hyperfine magnetic fields of width Happlied+Hhyperfine. This arises because the angles between the direction of the ordered field in the crystallites making up the sample are randomly distributed about the direction of the applied field. The MS of the superconductors SmFe0.95Co0.05AsO (TC≃5 K) and SmFe0.9Co0.1AsO (TC≃17 K) are well described by a single peak from room temperature to 4.2 K indicating the absence of static magnetic order. However, the half width at half maximum, Γ, of the peak in SmFe0.95Co0.05AsO increases with decreasing temperature from its high temperature value, 0.13 mm/s at 25 K, to 0.25 mm/s at 10 K. No such temperature dependence is seen in SmFe0.9Co0.1AsO. We analyze this temperature dependence in terms of a fluctuating hyperfine magnetic field model whose frequency at 4.2 K is found to be ˜5-10 MHz, giving direct evidence of coexisting magnetic fluctuations and superconductivity at the interface in the phase diagram between the regions with magnetic and superconducting order. In a 5 T applied field, SmFe0.95Co0.05AsO is no longer superconducting; however, the temperature-dependent fluctuating magnetic field is still present and largely unchanged. The absence of fluctuations in superconducting SmFe0.9Co0.1AsO and their presence in superconducting SmFe0.95Co0.05AsO in zero applied field and in nonsuperconducting SmFe0.95Co0.05AsO at 5 T suggests that magnetic order is in competition with superconductivity in SmFe1-xCoxAsO.

  6. 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.

  7. 57Fe Mössbauer spectroscopy and magnetization of cation deficient Fe2TiO4 and FeCr2O4. Part II: Magnetization data

    NASA Astrophysics Data System (ADS)

    Schmidbauer, E.

    1987-12-01

    Magnetic properties are reported for synthetic cation deficient Fe2TiO4 and FeCr2O4 particles (<1 μm). Cation deficiency, achieved by oxidation, is characterized by the oxidation parameter z which represents the fraction of Fe2+ ions converted to Fe3+ in the spinel lattice (0≤ z≤1). Fe2TiO4 ( z=0.85) has a Curie temperature T c that can only approximately be given with a value in the range 400 700 K and it has a magnetic moment per formula unit M≈0.50 μB (μB=Bohr's magneton) at 4.2 K, for FeCr2O4 it is T c≥520 K and M (4.2 K) ≈0.16 μB. Magnetic hysteresis parameters at various temperatures show in part characteristic features due to relaxation phenomena. In the Ti-spinel, the latter are caused by a superposition of superparamagnetism and spin relaxation and in the Cr-spinel by superparamagnetism, in agreement with Mössbauer data (part I of this paper). The cation and vacancy distribution and magnetic coupling are discussed in both compositions with respect to magnetic moment data considering magnetic dilution by incorporated vacancies, and in the Ti-spinel also by non magnetic Ti4+.

  8. High field magnetic transitions in the mixed holmium-yttrium iron garnet Ho(0.43)Y(2.57)Fe(5)O(12).

    PubMed

    Bouguerra, A; Khène, S; de Brion, S; Chouteau, G; Fillion, G

    2005-01-12

    High static magnetic field magnetization measurements have been performed up to 23 T on Ho(0.43)Y(2.57)Fe(5)O(12) single crystals at helium temperature (T = 4.2 K) with fields applied along the three main cubic axes: [Formula: see text], [Formula: see text] and [Formula: see text]. The change from the spontaneous ferrimagnetic structure in zero magnetic field to the fully ferromagnetic one in high field takes place through several intermediate phases separated by transitions with step-like magnetization behaviour, but without any observed hysteresis. Using the effective spin Hamiltonian approximation, we show that the general features of these transitions can be accounted for by a large magnetocristalline anisotropy of the Ho(3+) moments of the uniaxial type along the local z axis of each rare-earth site. The model is in better agreement with the experiments than its Ising limit, widely used before, but is still unsuccessful in predicting the 'umbrella' magnetic structures found by previous neutron and NMR experiments.

  9. Sensitivity of the CUORE detector to 14.4 keV solar axions emitted by the M1 nuclear transition of {sup 57}Fe

    SciTech Connect

    Li, Dawei; Creswick, Richard J.; III, Frank T. Avignone; Wang, Yuanxu E-mail: creswick.rj@sc.edu E-mail: wangyx@henu.edu.cn

    2016-02-01

    In this paper we present a calculation of the sensitivity of the CUORE detector to the monoenergetic 14.4 keV solar axions emitted by the M1 nuclear transition of {sup 57}Fe in the Sun and detected by inverse coherent Bragg-Primakoff conversion in single-crystal TeO{sub 2} bolometers. The expected counting rate is calculated using density functional theory for the electron charge density of TeO{sub 2} and realistic background and energy resolution of CUORE. Monte Carlo simulations for 5y × 741 kg=3705 kg y of exposure are analyzed using time correlation of individual events with the theoretical time-dependent counting rate. We find an expected model-independent limit on the product of the axion-photon coupling and the axion-nucleon coupling g{sub aγγ}g{sub aN}{sup eff} < 1.105 × 10{sup −16} /GeV for axion masses less than 500 eV with 95% confidence level.

  10. Designing and characterization of Fe(III) complexes of oxydiacetate containing α-diimine as auxiliary ligand: 57Fe-Mössbauer and cyclic voltammetric studies

    NASA Astrophysics Data System (ADS)

    Shahid, M.; Sharma, Prashant K.; Siddiqi, Zafar A.; Sama, Farasha; Ansari, Istikhar A.; Khalid, Mohd.

    2014-04-01

    The newly prepared complexes with stoichiometries [Fe(oda)(phen)Cl] (1), [Fe(oda)(4-picNO)(H2O)Cl)] (2) and [Fe2(oda)2(H2O)2Cl2] (3) [H2oda = oxydiacetic acid, phen = 1,10‧-phenantroline and 4-picNO = 4-picoline-N-oxide] were synthesized under varying experimental conditions. The complexes were characterized by spectral (IR, FAB-MS and Mössbauer), electrochemical and thermal studies. 57Fe-Mössbauer spectral data for complexes exhibit a quadrupole splitting confirming the presence of iron nuclei in asymmetric environment. The relevant parameters like isomer shift (δ), quadruple splitting (ΔEQ), line widths and peak height ratio (HWh/HWl) are consistent with high spin state of Fe(III) centre with the presence of Kramer’s double degeneracy in distorted octahedral environment. The electrochemical studies indicate existence of quasi-reversible redox couples (FeII/III) in solution.

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

    PubMed

    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

    2015-08-10

    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 (57)Fe-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)(57)Fe plane was studied using (57)Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)(57)Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe-CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)(57)Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)(57)Fe(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.

  12. 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.

  13. 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

  14. 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.

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

    DOE PAGES

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; ...

    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

  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. Magnetic and 57Fe Mössbauer study of the single molecule magnet behavior of a Dy3Fe7 coordination cluster.

    PubMed

    Abbas, Ghulam; Lan, Yanhua; Mereacre, Valeriu; Wernsdorfer, Wolfgang; Clérac, Rodolphe; Buth, Gernot; Sougrati, Moulay T; Grandjean, Fernande; Long, Gary J; Anson, Christopher E; Powell, Annie K

    2009-10-05

    The reaction between N-methydiethanolamine (mdeaH(2)), benzoic acid, FeCl(3), and DyCl(3) yields a decanuclear coordination cluster, [Dy(3)Fe(7)(mu(4)-O)(2)(mu(3)-OH)(2)(mdea)(7)(mu-benzoate)(4)(N(3))(6)] x 2 H(2)O x 7 CH(3)OH (1) whose single crystal structure exhibits three and seven crystallographically distinct Dy(III) and Fe(III) ions; six of the Fe(III) ions are pseudo-octahedrally coordinated, whereas the seventh has a trigonal-bipyramidal coordination geometry. Both direct current (dc) and alternating current (ac) magnetic susceptibility studies indicate that, upon cooling, intracluster antiferromagnetic interactions are dominant in 1, yielding a ferrimagnetic spin arrangement. The out-of-phase (chi'') ac susceptibility reveals that 1 undergoes a slow relaxation of its magnetization mainly resulting from the anisotropy of the Dy(III) ions. This slow relaxation has been confirmed both by magnetization measurements on an oriented single crystal of 1 and by the observation of hysteresis loops below 1.9 K. The macroscopic magnetic studies yield an effective energy barrier, U(eff), of 33.4 K for this relaxation, a barrier that is the highest yet reported for a lanthanide(III)-Fe(III) single molecule magnet. The (57)Fe Mössbauer spectra of 1 obtained between 3 and 35 K are consistent with the presence of Fe(III) intracluster antiferromagnetic coupling with slow magnetic relaxation relative to the Larmor precession time, thus confirming, on a microscopic scale, the presence of a barrier to the magnetic relaxation below 35 K. Between 55 and 295 K the Mössbauer spectra reveal paramagnetic behavior with six partially resolved quadrupole doublets, one for the trigonal-bipyramidal Fe(III) site and five for the six pseudo-octahedral Fe(III) sites.

  18. Moessbauer spectroscopic study of phase conversions of an iron-containing oxide catalyst for oxidative dehydrogenation of butenes

    SciTech Connect

    Golub'ev, A.V.; Matveev, A.I.; Amirbekov, E.N.; Maksimov, Yu.V.; Suzdalev, I.P.

    1988-06-01

    Moessbauer spectroscopy was used to study the structure of ..gamma..-Al/sub 2/O/sub 3/-supported iron oxide, which is catalytically active in the oxidative dehydrogenation of butenes to divinyl. The phase conversions of the catalyst were investigated after treating it in reducing (butenes) and reaction (butenes + oxygen + water vapor) media and after regeneration in a stream of oxygen. It is shown that the supported phase changes from a structure similar to hematite (..cap alpha..-Fe/sub 2/O/sub 3/) to spinel structure both under the effect of butenes and the reaction mixture. When this happens ion exchange occurs between the spinel and the support, with the formation of partly hydrated complexes of Fe/sup 2 +/ ions in an asymmetric environment of O/sup 2 -/ ions and OH/sup -/ groups of the lattice of the support. These complexes vanish upon reoxidation of the catalyst, and part of the spinel is oxidized to hematite.

  19. Moessbauer spectra as a 'fingerprint' in tin-lithium compounds: Applications to Li-ion batteries

    SciTech Connect

    Robert, F. Lippens, P.E.; Olivier-Fourcade, J.; Jumas, J.-C.; Gillot, F.; Morcrette, M.; Tarascon, J.-M.

    2007-01-15

    Several Li-Sn crystalline phases, i.e. Li{sub 2}Sn{sub 5}, LiSn, Li{sub 7}Sn{sub 3}, Li{sub 5}Sn{sub 2}, Li{sub 13}Sn{sub 5}, Li{sub 7}Sn{sub 2} and Li{sub 22}Sn{sub 5} were prepared by ball-milling and characterized by X-ray powder diffraction and {sup 119}Sn Moessbauer spectroscopy. The analysis of the Moessbauer hyperfine parameters, i.e. isomer shift ({delta}) and quadrupole splitting ({delta}), made it possible to define two types of Li-Sn compounds: the Sn-richest compounds (Li{sub 2}Sn{sub 5}, LiSn) and the Li-richest compounds (Li{sub 7}Sn{sub 3}, Li{sub 5}Sn{sub 2}, Li{sub 13}Sn{sub 5}, Li{sub 7}Sn{sub 2}, Li{sub 22}Sn{sub 5}). The isomer shift values ranged from 2.56 to 2.38 mm s{sup -1} for Li{sub 2}Sn{sub 5}, LiSn and from 2.07 to 1.83 mm s{sup -1} for Li{sub 7}Sn{sub 3}, Li{sub 5}Sn{sub 2}, Li{sub 13}Sn{sub 5}, Li{sub 7}Sn{sub 2} and Li{sub 22}Sn{sub 5}, respectively. A {delta}-{delta} correlation diagram is introduced in order to identify the different phases observed during the electrochemical process of new Sn-based materials. This approach is illustrated by the identification of the phases obtained at the end of the first discharge of {eta}-Cu{sub 6}Sn{sub 5} and SnB{sub 0.6}P{sub 0.4}O{sub 2.9}. - Graphical abstract: {delta}-{delta} correlation diagram for the different tin sites of the Li-Sn compounds. The symbols denote the different Li-Sn phases and the products obtained at the end of the discharge of {eta}-Cu{sub 6}Sn{sub 5} and SnB{sub 0.6}P{sub 0.4}O{sub 2.9}. The grey and the light-grey areas show Sn-centred polyhedra without and with one Sn first-nearest neighbours, respectively.

  20. 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.

  1. Strong-Coupling Spin-Singlet Superconductivity with Multiple Full Gaps in Hole-Doped Ba0.6K0.4Fe2As2 Probed by 57Fe-NMR

    NASA Astrophysics Data System (ADS)

    Yashima, Mitsuharu; Nishimura, Hideaki; Mukuda, Hidekazu; Kitaoka, Yoshio; Miyazawa, Kiichi; Shirage, Parasharam M.; Kihou, Kunihiro; Kito, Hijiri; Eisaki, Hiroshi; Iyo, Akira

    2009-10-01

    We present 57Fe-NMR measurements of the novel normal and superconducting-state characteristics of the iron-arsenide superconductor Ba0.6K0.4Fe2As2 (Tc = 38 K). In the normal state, the measured Knight shift and nuclear spin-lattice relaxation rate (1/T1) demonstrate the development of wave-number (q)-dependent spin fluctuations, except at q = 0, which may originate from the nesting across the disconnected Fermi surfaces. In the superconducting state, the spin component in the 57Fe-Knight shift decreases to almost zero at low temperatures, evidencing a spin-singlet superconducting state. The 57Fe-1/T1 results are totally consistent with a s±-wave model with multiple full gaps in the strong coupling regime. We demonstrate that the respective 1/T1 data for Ba0.6K0.4Fe2As2 and LaFeAsO0.7, which seemingly follow a T5- and a T3-like behaviors below Tc, are consistently explained in terms of this model only by changing the size of the superconducting gap.

  2. Application of Mössbauer spectroscopy in magnetism

    NASA Astrophysics Data System (ADS)

    Keune, Werner

    2012-03-01

    An overview is provided on our recent work that applies 57Fe Mössbauer spectroscopy to specific problems in nanomagnetism. 57Fe conversion electron Mössbauer spectroscopy (CEMS) in conjunction with the 57Fe probe layer technique as well as 57Fe nuclear resonant scattering (NRS) were employed for the study of various nanoscale layered systems: (i) metastable fct-Fe; a strongly enhanced hyperfine magnetic field Bhf of ˜39 T at 25 K was observed in ultrahigh vacuum (UHV) on uncoated three-monolayers thick epitaxial face-centered tetragonal (fct) 57Fe(110) ultrathin films grown by molecular-beam epitaxy (MBE) on vicinal Pd(110) substrates; this indicates the presence of enhanced Fe local moments, μFe, as predicted theoretically; (ii) Fe spin structure; by applying magnetic fields, the Fe spin structure during magnetization reversal in layered (Sm-Co)/Fe exchange spring magnets and in exchange-biased Fe/MnF2 bilayers was proven to be non-collinear and depth-dependent; (iii) ferromagnet/semiconductor interfaces for electrical spin injection; CEMS was used as a diagnostic tool for the investigation of magnetism at the buried interface of Fe electrical contacts on the clean surface of GaAs(001) and GaAs(001)-based spin light-emitting diodes (spin LED) with in-plane or out-of-plane Fe spin orientation; the measured rather large average hyperfine field of ˜27 T at 295 K and the distribution of hyperfine magnetic fields, P(Bhf), provide evidence for the absence of magnetically "dead" layers and the existence of relatively large Fe moments (μFe ˜ 1.8 μB) at the ferromagnet/semiconductor interface. - Finally, a short outlook is given for potential applications of Mössbauer spectroscopy on topical subjects of nanomagnetism/spintronics.

  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. A Three-Pronged Attack To Investigate the Electronic Structure of a Family of Ferromagnetic Fe4Ln2 Cyclic Coordination Clusters: A Combined Magnetic Susceptibility, High-Field/High-Frequency Electron Paramagnetic Resonance, and (57)Fe Mössbauer Study.

    PubMed

    Schmidt, Sebastian F M; Koo, Changhyun; Mereacre, Valeriu; Park, Jaena; Heermann, Dieter W; Kataev, Vladislav; Anson, Christopher E; Prodius, Denis; Novitchi, Ghenadie; Klingeler, Rüdiger; Powell, Annie K

    2017-05-01

    We present the synthesis, structure, magnetic properties, as well as the Mössbauer and electron paramagnetic resonance studies of a ring-shaped [Fe(III)4Ln(III)2(Htea)4(μ-N3)4(N3)3(piv)3] (Ln = Y 1, Gd 2, Tb 3, Dy 4, Ho 5, Er, 6) coordination cluster. The Dy, Tb, and Ho analogues show blocking of the magnetization at low temperatures without applied fields. The anisotropy of the 3d ion and the exchange interaction between 3d and 4f ions in Fe4Ln2 complexes are unambiguously determined by high-field/high-frequency electron paramagnetic resonance measurements at low temperature. Ferromagnetic exchange interaction JFe-Ln is found which decreases upon variation of the Ln ions to larger atomic numbers. This dependence is similar to the behavior shown in the effective barrier values of complexes 3-5. Further information about the anisotropy of the Ln(3+) ions was gathered with (57)Fe Mössbauer spectroscopy, and the combination of these methods provides detailed information regarding the electronic structure of these complexes.

  5. 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.

  6. 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

  7. 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.

  8. 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)

  9. Density Functional Calculations for Prediction of (57)Fe Mössbauer Isomer Shifts and Quadrupole Splittings in β-Diketiminate Complexes.

    PubMed

    McWilliams, Sean F; Brennan-Wydra, Emma; MacLeod, K Cory; Holland, Patrick L

    2017-06-30

    The relative ease of Mössbauer spectroscopy and of density functional theory (DFT) calculations encourages the use of Mössbauer parameters as a validation method for calculations, and the use of calculations as a double check on crystallographic structures. A number of studies have proposed correlations between the computationally determined electron density at the iron nucleus and the observed isomer shift, but deviations from these correlations in low-valent iron β-diketiminate complexes encouraged us to determine a new correlation for these compounds. The use of B3LYP/def2-TZVP in the ORCA platform provides an excellent balance of accuracy and speed. We provide here not only this new correlation and a clear guide to its use but also a systematic analysis of the limitations of this approach. We also highlight the impact of crystallographic inaccuracies, DFT model truncation, and spin states, with intent to assist experimentalists to use Mössbauer spectroscopy and calculations together.

  10. Hyperfine interactions in soybean and lupin oxy-leghemoglobins studied using Mössbauer spectroscopy with a high velocity resolution

    NASA Astrophysics Data System (ADS)

    Kumar, A.; Alenkina, I. V.; Zakharova, A. P.; Oshtrakh, M. I.; Semionkin, V. A.

    2015-04-01

    A comparative study of monomeric soybean and lupin leghemoglobins in the oxy-form was carried out using Mössbauer spectroscopy with a high velocity resolution at 90 K. The 57Fe hyperfine parameters of measured spectra were evaluated and compared with possible structural differences in the heme Fe(II)-O 2 bond.

  11. Density Functional Calculations for Prediction of 57Fe Mössbauer Isomer Shifts and Quadrupole Splittings in β-Diketiminate Complexes

    PubMed Central

    2017-01-01

    The relative ease of Mössbauer spectroscopy and of density functional theory (DFT) calculations encourages the use of Mössbauer parameters as a validation method for calculations, and the use of calculations as a double check on crystallographic structures. A number of studies have proposed correlations between the computationally determined electron density at the iron nucleus and the observed isomer shift, but deviations from these correlations in low-valent iron β-diketiminate complexes encouraged us to determine a new correlation for these compounds. The use of B3LYP/def2-TZVP in the ORCA platform provides an excellent balance of accuracy and speed. We provide here not only this new correlation and a clear guide to its use but also a systematic analysis of the limitations of this approach. We also highlight the impact of crystallographic inaccuracies, DFT model truncation, and spin states, with intent to assist experimentalists to use Mössbauer spectroscopy and calculations together. PMID:28691111

  12. 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

    2014-04-09

    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.

  13. Moessbauer Effect Studies of Crystalline and Amorphous Iron-Based Alloys and of Corrosion Processes at Iron Surfaces.

    NASA Astrophysics Data System (ADS)

    Lin, Mou Ching

    In Part I of this thesis, Mossbauer effect spectroscopy has been used to measure the temperature dependence of the ('57)Fe effective magnetic hyperfine field, H(,eff), and isomer shift, (delta), across the entire Fe(,3)Al(,x)Si(,1 -x) system (0 (LESSTHEQ) x (LESSTHEQ) 1) from77K to the Curie temperature, the latter also being determined from these measurements. The observed dependence of H(,eff) and (delta) on Al concentration can be qualitatively understood in terms of the calculated band structure of Fe(,3)Si. ('57)Fe Mossbauer spectra have been obtained at both liquid nitrogen and room temperatures for a series of metallic glasses Fe(,82)B(,18-x)Be(,x) with 0 (LESSTHEQ) x (LESSTHEQ) 6 in Part II. The width of the probability distribution function of the effective magnetic hyperfine field remains approximately constant at a value of 80 kOe for all samples. However, the most probable value of the effective magnetic hyperfine field at liquid nitrogen temperature initially increases with Be content, but starts to decrease as x exceeds four. The isomer shift has a value of -0.032 mm/sec for samples with x (LESSTHEQ) 4 but changes to -0.050 mm/sec for samples with x > 4. The crystallization products obtained upon annealing the samples were identified. In the last part of this thesis, Mossbauer spectroscopy coupled with electrochemical measurements has been used to study in situ the effects of chloride ions on a passivated iron surface in boric acid-sodium borate buffer solution at a pH of 8.4. The Mossbauer spectrum of the oxide film formed after breakdown of the passive film by aggressive chloride ions consists of a doublet with line-width of 0.51 (+OR-) 0.03 mm/sec, isomer shift of 0.35 (+OR-) 0.02 mm/sec relative to the metallic iron, and quadrupole splitting of 0.79 (+OR-) 0.01 mm/sec. The quadrupole splitting differs from that of the passive film which has line-widths of 0.55 (+OR-) 0.08 mm/sec, an isomer shift of 0.36 (+OR-) 0.01 mm/sec, and a quadrupole

  14. Internal friction and Moessbauer study of C{endash}Cr associates in MANET steel

    SciTech Connect

    Gondi, P.; Gupta, R.; Montanari, R.; Principi, G.; Tata, M.E.

    1997-02-01

    Internal friction and Moessbauer techniques have been used to investigate the structure of C{endash}Cr associates and the arrangement of Fe atoms near them in the Cr martensitic steel MANET subjected to different thermal treatments. After slow rate cooling from the austenitic field, the Moessbauer spectra exhibit, besides the complex magnetic pattern of martensite, a low intensity single attributed to the presence of a Cr-rich b.c.c. phase. In correspondence, the internal friction curves show, among others, a Snoek-type peak due to an elastic processes involving C{endash}Cr associates with 6 Cr atoms. To explain the experimental results a simple structure model is suggested. {copyright} {ital 1997 Materials Research Society.}

  15. Moessbauer search for ferric oxide phases in lunar materials and simulated lunar materials

    NASA Technical Reports Server (NTRS)

    Forester, D. W.

    1973-01-01

    Moessbauer studies were carried out on lunar fines and on simulated lunar glasses containing magnetic-like precipitates with the primary objective of determining how much, if any, ferric oxide is present in the lunar soils. Although unambiguous evidence of lunar Fe(3+) phases was not obtained, an upper limit was estimated from different portions of the Moessbauer spectra to be between 0.1 and 0.4 wt.% (as Fe3O4). A smaller than 62 microns fraction of 15021,118 showed 0.5 wt.% ferromagnetic iron at 300 K in as-returned condition. After heating to 650 C in an evacuated, sealed quartz tube for 1400 hours, the same sample exhibited 1 wt.% ferromagnetic iron at room temperature. An accompanying decrease in excess absorption area near zero velocity was noted. Thus, the result of the vacuum heat treatment was to convert fine grained iron to larger particles, apparently without the oxidation effects commonly reported.

  16. Moessbauer search for ferric oxide phases in lunar materials and simulated lunar materials

    NASA Technical Reports Server (NTRS)

    Forester, D. W.

    1973-01-01

    Moessbauer studies were carried out on lunar fines and on simulated lunar glasses containing magnetic-like precipitates with the primary objective of determining how much, if any, ferric oxide is present in the lunar soils. Although unambiguous evidence of lunar Fe(3+) phases was not obtained, an upper limit was estimated from different portions of the Moessbauer spectra to be between 0.1 and 0.4 wt.% (as Fe3O4). A smaller than 62 microns fraction of 15021,118 showed 0.5 wt.% ferromagnetic iron at 300 K in as-returned condition. After heating to 650 C in an evacuated, sealed quartz tube for 1400 hours, the same sample exhibited 1 wt.% ferromagnetic iron at room temperature. An accompanying decrease in excess absorption area near zero velocity was noted. Thus, the result of the vacuum heat treatment was to convert fine grained iron to larger particles, apparently without the oxidation effects commonly reported.

  17. Internal electron conversion of the isomeric {sup 57}Fe nucleus state with an energy of 14.4 keV excited by the radiation of the plasma of a high-power femtosecond laser pulse

    SciTech Connect

    Golovin, G V; Savel'ev-Trofimov, Andrei B; Uryupina, D S; Volkov, Roman V

    2011-03-31

    We recorded the spectrum of delayed secondary electrons ejected from the target, which was coated with a layer of iron enriched with the {sup 57}Fe isotope to 98%, under its irradiation by fluxes of broadband X-ray radiation and fast electrons from the plasma produced by a femtosecond laser pulse at an intensity of 10{sup 17} W cm{sup -2}. Maxima were identified at energies of 5.6, 7.2, and 13.6 keV in the spectrum obtained for a delay of 90 - 120 ns. The two last-listed maxima owe their origin to the internal electron conversion of the isomeric level with an energy of 14.4 keV and a lifetime of 98 ns to the K and L shells of atomic iron, respectively; the first-named level arises from a cascade K - L{sub 2}L{sub 3} Auger process. Photoexcitaion by the X-ray plasma radiation is shown to be the principal channel of the isomeric level excitation. (interaction of laser radiation with matter)

  18. In-situ 57Fe Mössbauer characterization of iron oxides in pigments of a rupestrian painting from the Serra da Capivara National Park, in Brazil, with the backscattering Mössbauer spectrometer MIMOS II

    NASA Astrophysics Data System (ADS)

    Soares Meneses Lage, Maria Conceiç ao; Duarte Cavalcante, Luis Carlos; Klingelhöfer, Göstar; Fabris, José Domingos

    2016-12-01

    It is reported the use of the miniaturized portable 57Fe Mössbauer backscattering spectrometer MIMOS II to perform in situ measurements in the archaeological site known as Toca do Boqueirão do Sítio da Pedra Furada (BPF), in Serra da Capivara National Park, in order to specifically examine shades of dark red pigments and compare their differences relatively to the light red part of the same painting. The hyperfine Mössbauer parameters reveal that the dark red area of the rupestrian painting is composed of three populations of hematite and of a small proportion of maghemite, whereas the light red are of the same painting contain hematite mixed with a small proportion of maghemite and a (super)paramagnetic Fe 3+. The Fe content in the dark red area from the rupestrian painting is of approximately twice the amount in the light red of the same prehistoric graphism. The corresponding analysis of red ochre sample collected in the excavation of these archaeological site exhibited two populations of hematite and also a small proportion of maghemite.

  19. Doping Dependence of Normal-State Properties in Iron-Based Oxypnictide Superconductor LaFeAsO1-y Probed by 57Fe-NMR and 75As-NMR/NQR

    NASA Astrophysics Data System (ADS)

    Mukuda, Hidekazu; Terasaki, Nobuyuki; Tamura, Nobukatsu; Kinouchi, Hiroaki; Yashima, Mitsuharu; Kitaoka, Yoshio; Miyazawa, Kiichi; Shirage, Parasharam M.; Suzuki, Shinnosuke; Miyasaka, Shigeki; Tajima, Setsuko; Kito, Hijiri; Eisaki, Hiroshi; Iyo, Akira

    2009-08-01

    We report systematic 57Fe-NMR and 75As-NMR/NQR studies on an underdoped sample (Tc=20 K), an optimally doped sample (Tc=28 K), and an overdoped sample (Tc=22 K) of oxygen-deficient iron (Fe)-based oxypnictide superconductor LaFeAsO1-y. A microscopic phase separation between superconducting domains and magnetic domains is shown to take place in the underdoped sample, indicating a local inhomogeneity in association with the density distribution of oxygen deficiencies. As a result, 1/T1T in the normal state of the superconducting domain decreases significantly upon cooling at both the Fe and As sites regardless of the electron-doping level in LaFeAsO1-y. On the basis of this result, we claim that 1/T1T is not always enhanced by antiferromagnetic fluctuations close to an antiferromagnetic phase in the underdoped superconducting sample. This contrasts with the behavior in hole-doped Ba0.6K0.4Fe2As2 (Tc=38 K), which exhibits a significant increase in 1/T1T upon cooling. We remark that the crucial difference between the normal-state properties of LaFeAsO1-y and Ba0.6K0.4Fe2As2 originates from the fact that the relevant Fermi surface topologies are differently modified depending on whether electrons or holes are doped into the FeAs layers.

  20. Origin of Tc Enhancement Induced by Doping Yttrium and Hydrogen into LaFeAsO-Based Superconductors: 57Fe-, 75As-, 139La-, and 1H-NMR Studies

    NASA Astrophysics Data System (ADS)

    Yamashita, Hiroki; Mukuda, Hidekazu; Yashima, Mitsuharu; Furukawa, Satoshi; Kitaoka, Yoshio; Miyazawa, Kiichi; Shirage, Parasharam M.; Eisaki, Hiroshi; Iyo, Akira

    2010-10-01

    We report our extensive 57Fe-, 75As-, 139La-, and 1H-NMR studies of La0.8Y0.2FeAsO1-y (La0.8Y0.21111) and LaFeAsO1-yHx (La1111H), where doping yttrium (Y) and hydrogen (H) into optimally doped LaFeAsO1-y [La1111(OPT)] increases Tc=28 to 34 and 32 K, respectively. In the superconducting (SC) state, the measurements of nuclear-spin lattice-relaxation rate 1/T1 have revealed in terms of a multiple fully gapped s±-wave model that the SC gap and Tc in La0.8Y0.21111 become larger than those in La1111(OPT) without any change in doping level. In La1111H, the SC gap and Tc also increase slightly even though a decrease in carrier density and some disorders are significantly introduced. As a consequence, we suggest that the optimization of both the structural parameters and the carrier doping level to fill up the bands is crucial for increasing Tc among these La1111-based compounds through the optimization of the Fermi surface topology.

  1. 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).

  2. Magnetic properties and Moessbauer analyses of glass from the K-T boundary, Beloc, Haiti

    NASA Technical Reports Server (NTRS)

    Senftle, F. E.; Thorpe, A. N.; May, L.; Barkatt, A.; Adel-Hadadi, M. A.; Marbury, G. S.; Izett, G.; Sigurdsson, H.; Maurasse, F. J.-M. R.

    1993-01-01

    The experimental magnetic susceptibility, the temperature-independent component of the magnetic susceptibility, the magnetization, and the Curie constant have been measured for a number of specimens of glass from the K-T boundary found at Beloc, Haiti, and the results are compared with those of similar measurements of tektites. Because the Fe(3+)/Fe(2+) ratio is needed to calculate the magnetic parameters, Moessbauer spectroscopic measurements were also made. The data were consistent with the classification of the Beloc glasses as tektites.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. Moessbauer studies of exchange-coupled two-iron centers in proteins

    SciTech Connect

    Sage, J.T.

    1986-01-01

    This study reports Moessbauer measurements on three derivatives of the oxygen-transport protein hemerythrin and on the oxidized and reduced forms of uteroferrin, a purple acid phosphatase isolated from porcine uterine fluid. Both proteins contain an exchange-coupled pair of iron atoms coordinated directly to amino acid side chains. A model that takes account of both the exchange coupling and the zero-field splitting at each site is presented and used to describe the magnetic properties of the ground spin multiplet of a pair of coupled spins. One notable feature of the model is the fact that the g- and A-tensors of the coupled system may be quite anisotropic even if the corresponding single-site tensors are not. Preliminary studies of some non-Kramers systems are also presented. The Moessbauer spectrum of an azide derivative of deoxyhemerythrin broadens in a small applied field, indicating the presence of a near degeneracy. The spectrum of oxidized uteroferrin broadens as the temperature is raised, even in the absence of an applied field. No fully adequate explanation for the latter observation is apparent.

  8. Moessbauer spectra of olivine-rich achondrites - Evidence for preterrestrial redox reactions

    NASA Technical Reports Server (NTRS)

    Burns, R. G.; Martinez, S. L.

    1991-01-01

    Moessbauer spectral measurements at 4.2 K were made on several ureilites and the two shergottites found in Antarctica, as well as two ureilite falls, three SNC meteorite falls, and two finds in order to distinguish products of preterrestrial redox reactions from phases formed during oxidative weathering on the earth. The spectra indicated that several ureilites contain major proportions of metallic iron, much of which resulted from preterrestrial carbon-induced reduction of ferrous iron in the outermost 10-100 microns of olivine grains in contact with carbonaceous material in the ureilites. The cryptocrystalline nature of these Fe inclusions in olivine renders the metal extremely vulnerable to aerial oxidation, even in ureilites collected as falls. It is inferred that the nanophase ferric oxides or oxyhydroxides identified in Brachina and Lafayette were produced by terrestrial weather of olivines before the meteorites were found. The absence of goethite in two olivine-bearing Antarctic shergottites suggests that the 2 percent ferric iron determined in their Moessbauer spectra also originated from oxidation on Mars.

  9. Gamma scattering in condensed matter with high intensity Moessbauer radiation. Final technical progress report, January 16, 1993--January 15, 1996

    SciTech Connect

    1997-06-01

    Progress is reported on work with high intensity radiation. Moessbauer radioisotopes of exceptional high intensity have been the source of photons for most experiments. Topics include lattice dynamics, studies of glass forming liquids, and line-shape and it`s role in finding materials and nuclear parameters.

  10. Study of Fe-Co Nanocomposite Films

    SciTech Connect

    Lancok, A.; Klementova, M.; Kohout, J.; Miglierini, M.; Fendrych, F.; Lancok, J.

    2010-07-13

    Moessbauer study of nanogranular ferromagnetic FeCo films is presented. Two ways of production of nanocomposite systems were employed: (i) hollow cathode plasma jet deposition process, and (ii) laser ablation from Fe-Co metallic targets by means of a KrF excimer laser and r.f. magnetron sputtering. Complementary information on the composition of the samples were obtained by nuclear magnetic resonance of {sup 57}Fe and {sup 59}Co nuclei, conversion electron Moessbauer spectroscopy, and high resolution transmission electron microscopy. The films contain crystalline nanoparticles, 5-20 nm in size, embedded in an amorphous matrix.

  11. 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

  12. Mossbauer spectroscopy of moon samples.

    PubMed

    Muir, A H; Housley, R M; Grant, R W; Abdel-Gawad, M; Blander, M

    1970-01-30

    Lunar bulk sample 10084,85 (< 1 mm size dust), and samples from rocks 10017,17 (fine grained, vesicular), 10046,17 (breccia), 10057,59 (fine grained, vesicular, top surface), 10057,60 (fine grained, vesicular, interior), and 10058,24 (medium grained, not vesicular) have been investigated by (57)Fe Mössbauer spectroscopy. Iron metal and the Fe(2+) minerals ilmenite, pyroxene, troilite, and iron containing glass have been identified. An iron line of sample 10084,85 (originally sealed in nitrogen) showed no significant intensity change when the sample was exposed to air. The antiferromagnetic transition in several lunar ilmenites at 57(0) +/- 2 degrees K corresponds to stoichiometric FeTiO,. Magneticallv separated 10057 showed troilite and somne metallic iron.

  13. Influence of ordering phenomena on the magnetostriction of high Si alloys for electrical applications

    SciTech Connect

    Ros-Yanez, Tanya; Ruiz, Daniel; Lopez, Diego; Hilgert, Tom; Dupre, Luc; Vandenberghe, Robert E.; Houbaert, Yvan

    2005-05-15

    The present work attempts to assess the influence of order phenomena on the magnetostriction of high Fe-Si alloys for electrical applications. The magnetostriction of high silicon electrical steels in the range of 4 to 6 wt. % Si was studied regarding the effect of processing and thermal treatment. In addition, power losses and saturation magnetization measurements were performed and {sup 57}Fe Moessbauer spectroscopy was used to evaluate and quantify the degree of order.

  14. Hydrogenation of FeCoZr-Al2O3 nanocomposites studied by Mössbauer spectroscopy and magnetometry

    NASA Astrophysics Data System (ADS)

    Saad, A.; Kasiuk, J.; Fedotova, J.; Szilagyi, E.; Przewoznik, J.; Kapusta, Cz.; Marszalek, M.

    2009-02-01

    Hydrogenation effects on crystalline and magnetic structure of nanocomposites (FeCoZr) x (Al2O3)100 - x , 38 ≤ x ≤ 63 at.% are studied by 57Fe Mössbauer spectroscopy and magnetometry. Variations of local structure, blocking temperature and mean FeCoZr nanoparticles’ volume are discussed with respect to (i) composition and (ii) two competing processes—H2 incorporation and annealing—occurred during treatment in H2 plasma.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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].

  3. Moessbauer study on K/sub 2/Fe/sub 2/(CO)/sub 8/ in an external magnetic field

    SciTech Connect

    Arkhipov, I.L.; Kireev, N.V.; Stukan, R.A.; Yunusov, S.M.

    1988-03-01

    We consider in more detail what changes occur in the Moessbauer parameters when apical and equatorial CO groups are replaced by Fe(CO)/sub 4//sup =/ in the trigonal bipyramidal Fe(CO)/sub 5/ molecule. We use Bancroft's concept of the partial contributions to the quadrupole splitting (QS). The main difference between the HFS parameters for the Moessbauer spectra for the possible structures will be a marked difference in the asymmetry parameters. Here /eta/ can be determined for 1/2 /yields/ 3/2 transitions if there is combined hyperfine magnetic and quadrupole interaction. In a diamagnetic (K/sub 2/Fe/sub 2/(CO)/sub 8/), such combined interaction can occur only from the use of external magnetic fields. The Moessbauer spectra were recorded in an Oxford Instruments cryostat having a superconducting solenoid at 4.2 K without a field or with a longitudinal field of 4.6 T. The spectra show that the EFG tensor for K/sub 2/Fe/sub 2/(CO)/sub 8/ is axially symmetric (/eta/ 0) and that the sign of QS is positive.

  4. Multipurpose setup for low-temperature conversion electron Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Augustyns, V.; Trekels, M.; Gunnlaugsson, H. P.; Masenda, H.; Temst, K.; Vantomme, A.; Pereira, L. M. C.

    2017-05-01

    We describe an experimental setup for conversion electron Mössbauer spectroscopy (CEMS) at low temperature. The setup is composed of a continuous flow cryostat (temperature range of 4.2-500 K), detector housing, three channel electron multipliers, and corresponding electronics. We demonstrate the capabilities of the setup with CEMS measurements performed on a sample consisting of a thin enriched 57Fe film, with a thickness of 20 nm, deposited on a silicon substrate. We also describe exchangeable adaptations (lid and sample holder) which extend the applicability of the setup to emission Mössbauer spectroscopy as well as measurements under an applied magnetic field.

  5. Structural and phase transformations during copper and iron mechanical alloying in liquid medium studied by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Eryomina, Marina Anatol'evna; Lomayeva, Svetlana Fedorovna; Ul'yanov, Alexandr Leonidovich; Yelsukov, Evgeny Petrovich

    2016-03-01

    Mössbauer spectroscopy and X-ray diffraction have been used to study the kinetics of structural and phase transformations in Cu + 2 at% 57Fe during mechanical activation in liquid media (heptane, distilled water) and subsequent heat treatment (600 and 700 °C). The initial stages of mechanical alloying are associated with the transition of components to the nanostructural state. Iron atom groups form near the grain boundaries, and isolated iron atoms penetrate from the boundaries into the grains. Oxidation of groups of iron atoms that form highly dispersed phases of ternary oxide and magnetite occur in the initial stages of mechanical alloying of Cu + 2 at% 57Fe in water. The formation of the solid solution in the form of isolated iron atoms in the lattice of copper proceeds, regardless of the milling media used. Samples prepared in heptane contain carbon and oxygen, and upon heat treatment, carbide and oxide phases are formed.

  6. Oxidation and surface segregation of chromium in Fe-Cr alloys studied by Mössbauer and X-ray photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Idczak, R.; Idczak, K.; Konieczny, R.

    2014-09-01

    The room temperature 57Fe Mössbauer and XPS spectra were measured for polycrystalline iron-based Fe-Cr alloys. The spectra were collected using three techniques: the transmission Mössbauer spectroscopy (TMS), the conversion electron Mössbauer spectroscopy (CEMS) and the X-ray photoelectron spectroscopy (XPS). The combination of these experimental techniques allows to determine changes in Cr concentration and the presence of oxygen in bulk, in the 300 nm pre-surface layer and on the surface of the studied alloys.

  7. 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

  8. 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.

  9. 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.

  10. 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 gas used for activation. Moessbauer investigations of iron-based catalysts subjected to pretreatment in gas atmospheres containing mixtures of CO, H{sub 2}, and He have been carried out. Studies on UCI 1185-57 catalyst indicate that activation of the catalyst in CO leads to the formation of 100% magnetite and the magnetite formed gets rapidly converted to at least 90% of x-Fe{sub 5}C{sub 2} during activation. The x-Fe{sub 5}C{sub 2} formed during activation gets partly (= 25%) converted back to Fe{sub 3}O{sub 4} during FT synthesis and both x-Fe{sub 5}C{sub 2} and Fe{sub 3}O{sub 4} reach constant values. On the other hand, activation of the catalyst in synthesis gas leads to formation of Fe{sub 3}O{sub 4} and which is slowly converted to x-Fe{sub 5}C{sub 2} and e-Fe{sub 2.2}C during activation, and both carbide phases increase slowly during FT synthesis. FT synthesis activity is found to give rise to {approx} 70% (H2+CO) conversion in the case of CO activated catalyst as compared to {approx} 20% (H2+CO) conversion in the case of synthesis gas-activated catalyst.

  11. 57Fe NMR study of the magnetoelectric hexaferrite Ba0.5Sr1.5Zn2Fe12O22 and Ba0.5Sr1.5Zn2(Fe0.92Al0.08)12O22

    NASA Astrophysics Data System (ADS)

    Kwon, Sangil; Yoon, Dong Young; Lee, Soonchil; Chai, Yi Sheng; Chun, Sae Hwan; Kim, Kee Hoon

    2013-08-01

    Magnetoelectric hexaferrite Ba0.5Sr1.5Zn2Fe12O22 (BSZFO) and Ba0.5Sr1.5Zn2(Fe0.92Al0.08)12O22 (BSZFAO) were investigated by 57Fe nuclear magnetic resonance (NMR). The spin-canting angles of all NMR peaks were measured to assign each peak to corresponding Fe3+ sites. It was revealed that the spin-canting angle of Fe3+ ions at off-centered octahedra is fixed and Al3+ ions substitute for Fe3+ ions at those sites. The temperature dependence of the NMR frequency indicates that the low-temperature excitation is spin wave in ferromagnetic phase.

  12. 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.

  13. Novel superconducting characteristics and unusual normal-state properties in iron-based pnictide superconductors: 57FeNMR and 75AsNQR/NMR studies in REFeAsO 1- y (RE = La, Pr, Nd) and Ba 0.6K 0.4Fe 2As 2

    NASA Astrophysics Data System (ADS)

    Mukuda, H.; Terasaki, N.; Yashima, M.; Nishimura, H.; Kitaoka, Y.; Iyo, A.

    2009-05-01

    We discuss the novel superconducting characteristics and unusual normal-state properties of iron (Fe)-based pnictide superconductors REFeAsO 1- y (RE = La, Pr, Nd) and Ba 0.6K 0.4Fe 2As 2 ( Tc = 38 K) by means of 57FeNMR and 75AsNQR/NMR. In the superconducting state of LaFeAsO 0.7 ( Tc = 28 K), the spin component of the 57Fe-Knight shift decreases to almost zero at low temperatures, which provide firm evidence of the superconducting state formed by spin-singlet Cooper pairing. The nuclear spin-lattice relaxation rates (1/ T1) in LaFeAsO 0.7 and Ba 0.6K 0.4Fe 2As 2 exhibit a T3-like dependence without a coherence peak just below Tc, indicating that an unconventional superconducting state is commonly realized in these Fe-based pnictide compounds. All these events below Tc are consistently argued in terms of an extended s ±-wave pairing with a sign reversal of the order parameter among Fermi surfaces. In the normal state, 1/ T1T decreases remarkably upon cooling for both the Fe and As sites of LaFeAsO 0.7. In contrast, it gradually increases upon cooling in Ba 0.6K 0.4Fe 2As 2. Despite the similarity between the superconducting properties of these compounds, a crucial difference was observed in their normal-state properties depending on whether electrons or holes are doped into the FeAs layers. These results may provide some hint to address a possible mechanism of Fe-based pnictide superconductors.

  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. 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.

  16. The structure and stability of CaFe layered double hydroxides with various Ca:Fe ratios studied by Mössbauer spectroscopy, X-ray diffractometry and microscopic analysis

    NASA Astrophysics Data System (ADS)

    Sipiczki, M.; Kuzmann, E.; Homonnay, Z.; Megyeri, J.; Pálinkó, I.; Sipos, P.

    2013-07-01

    The effects of the Ca(II)/Fe(III) ratios on the structure and Fe microenvironments have been studied in layered double hydroxides comprising of Ca(II) and Fe(III) (CaFe-LDH) prepared by the co-precipitation method. The Ca(II)/Fe(III) ratios were varied systematically from 2 to 6 and for characterisation 57Fe Mössbauer spectroscopy, powder X-ray diffractometry and scanning electron microscopy were applied. XRD patterns of the samples at all Ca(II)/Fe(III) ratios exhibited reflections corresponding to CaFe-LDH and 57Fe Mössbauer measurements revealed that Fe(III) was in a high-spin, somewhat disordered octahedral environment. Above the Ca(II)/Fe(III) ratio of 2 the reflections of Ca(OH)2 also appeared. This phase was found to stabilise the LDH phase, while the phase-pure LDH decomposed on ageing.

  17. 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.

  18. Scrutinizing Al-like 10+51V, 11+53Cr, 12+55Mn, 13+57Fe, 14+59Co, 15+61Ni, and 16+63Cu 1ions for atomic clocks with uncertainties below the 10-19 level

    NASA Astrophysics Data System (ADS)

    Yu, Yan-mei; Sahoo, B. K.

    2016-12-01

    We investigate the transition between the fine structure levels of the ground state, 3 p 2P1 /2→3 p 2P3 /2 , of the highly charged Al-like 10+51V, 11+53Cr, 12+55Mn, 13+57Fe, 14+59Co, 15+61Ni, and 16+63Cu ions for frequency standards. To comprehend them as prospective atomic clocks, we determine their transition wavelengths, quality factors, and various plausible systematics during the measurements. Since most of these ions have nuclear spin I =3 /2 , uncertainties due to dominant quadrupole shifts can be evaded in the F =0 hyperfine level of the 3 p 2P3 /2 state. Other dominant systematics such as quadratic Stark and black-body radiation shifts have been evaluated precisely demonstrating the feasibility of achieving high accuracy, below 10-19 fractional uncertainty, atomic clocks using the above transitions. Moreover, relativistic sensitivity coefficients are determined to find out the aptness of these proposed clocks to investigate possible temporal variation of the fine structure constant. To carry out these analysis, a relativistic coupled-cluster method considering Dirac-Coulomb-Breit Hamiltonian along with lower-order quantum electrodynamics interactions is employed and many spectroscopic properties are evaluated. These properties are also of immense interest for astrophysical studies.

  19. Analysis of quadrupole splitting of multiple Fe sites intermixed in Si(111) with Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Kawauchi, Taizo; Zhang, Xiaowei; Fukutani, Katsuyuki

    2016-12-01

    The iron silicide has various interesting phases both fundamentally and technologically, which have acquired much attention to date. Iron silicides are often fabricated on a Si substrate by a solid phase epitaxy method, and the initial stage of intermixing of iron atoms with substrate Si is of crucial importance for silicide fabrication, which remains to be clarified. Here, we have investigated the initial stage of the iron-silicide formation before crystallization with Mössbauer spectroscopy suited to characterization of magnetic and chemical properties of 57Fe atoms in materials. The sample was prepared by deposition of 57Fe of 1 nm on a Si(111) surface at 450 K. Conventional Mössbauer spectroscopy in the energy domain revealed presence of two iron sites with similar quadrupole splits and isomer shifts, which hampered complete analysis of this system. By combining the time-domain spectroscopy using polarized synchrotron radiation, we have separately analyzed the quadrupole splits and isomer shifts for the two iron sites. By using the theoretical simulation, furthermore, we successfully reproduced the experimentally observed time spectrum of the nuclear resonant scattering on the assumption that iron atoms randomly occupy the substitutional sites for Si at the initial stage of intermixing before crystallization of an iron silicide.

  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. 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. The Incredible Diversity of Fe-bearing Phases at Gusev Crater, Mars, According to the Mars Exploration Rover Moessbauer Spectrometer

    NASA Technical Reports Server (NTRS)

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

    2006-01-01

    The Mars Exploration Rover (MER) Spirit landed on the plains of Gusev Crater on 4 January 2004. One primary scientific objective for the mission is to characterize the mineralogical and elemental composition of surface materials, searching for evidence of water and clues for assessing past and current climates and their suitability for life [1]. The role 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. In this abstract, we discuss the incredible diversity of Fe-bearing phases detected by Spirit s MB instrument during its first 540 sols of exploration at Gusev crater [2,3].

  3. Nuclear resonance vibrational spectroscopy (NRVS) of rubredoxin and MoFe protein crystals.

    PubMed

    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

    2013-12-01

    We have applied (57)Fe 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.

  4. 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.

  5. 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

  6. 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.

  7. Application of emission ( 57Co) Mössbauer spectroscopy in bioscience

    NASA Astrophysics Data System (ADS)

    Kamnev, Alexander A.

    2005-06-01

    Cobalt is an essential trace element with a broad range of physiological and biochemical functions. However, biochemical speciation of cobalt and structural investigations of cobalt-containing complexes with biomacromolecules are challenging, as the participation of cobalt in physiological processes is limited by its very low concentrations. Emission Mössbauer spectroscopy (EMS), with the radioactive 57Co isotope as the most widely used nuclide, is several orders of magnitude more sensitive than its 57Fe absorption variant which has had a rich history of applications in bioscience. Nevertheless, owing to specific difficulties related to the necessity of using radioactive 57Co in samples under study, applications of EMS in biological fields have so far been sparse. In this communication, the EMS applicability to studying biological objects as well as some specific aspects of the EMS methodology are considered in order to draw attention to the unique structural information which can be obtained non-destructively in situ. Chemical consequences (after-effects) of the nuclear transition ( 57Co→ 57Fe), which provide additional information on the electron acceptor properties of the proximate chemical microenvironment of the metal ions, are also considered. The data presented demonstrate that EMS is a sensitive tool for monitoring the chemical state and coordination of cobalt species in biological matter and in biomacromolecular complexes (metalloenzymes), providing valuable structural information at the atomic level.

  8. Study on spin configuration in photoresponsive iron mixed-valence complexes by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Okazawa, A.; Yoshida, J.; Kida, N.; Kashima, I.; Murata, W.; Enomoto, M.; Kojima, N.

    2014-04-01

    We have investigated magnetic properties in a series of photoresponsive dithiooxalato (dto)-bridged iron mixed-valence complexes, (SP-R)[FeIIFeIII(dto)3] (SP-R = R-substituted pyridospiropyran cation; R = Me, Et, and Pr; abbreviated as 1 Me, 1 Et, and 1 Pr, respectively). As for our previous reports, 1 Me and 1 Et show two-step succeeding ferromagnetic transitions at T C = 25 & 8 K and 22 & 5 K, respectively. However, 1 Et has no hysteresis in the magnetic susceptibility, while 1 Me undergoes the charge transfer phase transition with thermal hysteresis around 75 K. To elucidate the two-step transitions of them, we measured 57Fe Mössbauer spectra of 1 Et. The spectra of FeII ( S = 2) and FeIII ( S = 1/2) in the HTP were observed in the magnetically ordered state as well as the paramagnetic state, and revealed that only HTP exists in a temperature range up to 5 K. The result is consistent with that of 1 Pr, where one ferromagnetic phase transition occurs at T C = 10 K. 57Fe Mössbauer spectroscopy is useful to clarify the origin of the succeeding magnetic transition for these systems.

  9. 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.

  10. Comparative study of Aliskerovo, Anyujskij, Sikhote-Alin and Sterlitamak iron meteorites using Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Goryunov, M. V.; Oshtrakh, M. I.; Chukin, A. V.; Grokhovsky, V. I.; Semionkin, V. A.

    2016-12-01

    A comparative study of Sikhote-Alin IIAB, Anyujskij IIAB, Aliskerovo IIIE-an and Sterlitamak IIIAB iron meteorites was carried out using Mössbauer spectroscopy with a high velocity resolution as well as using metallography, scanning electron microscopy with energy dispersive spectroscopy and X-ray diffraction. Different numbers of spectral components were found in the Mössbauer spectra of Sikhote-Alin IIAB and Anyujskij IIAB and in the spectra of Aliskerovo IIIE-an and Sterlitamak IIIAB iron meteorites. The values of hyperfine field at the 57Fe nuclei obtained for spectral components were related to α-Fe(Ni, Co), α 2-Fe(Ni, Co) and γ-Fe(Ni, Co) phases with variations in Ni concentration.

  11. Mössbauer spectroscopy of H, L and LL ordinary chondrites

    NASA Astrophysics Data System (ADS)

    Maksimova, A. A.; Oshtrakh, M. I.; Petrova, E. V.; Grokhovsky, V. I.; Semionkin, V. A.

    2016-12-01

    Fifteen fragments of H, L and LL ordinary chondrites were studied using Mössbauer spectroscopy with a high velocity resolution at 295 K. A new approach to fit troilite magnetic sextet using simulation of the full static Hamiltonian was applied that decreased spectra misfits. This approach permitted to obtain more correct and reliable parameters for the minor spectral components. Small variations in the 57Fe hyperfine parameters were revealed for the M1 and M2 sites in both olivine and orthopyroxene as well as for α-Fe(Ni, Co), α 2-Fe(Ni, Co) and γ-Fe(Ni, Co) phases in different ordinary chondrites. Some Mössbauer parameters showed the possibility to distinguish ordinary chondrites from H, L and LL groups that may be useful for their systematics.

  12. Moessbauer Effect Study of Bi2O3. Na2O. B2O3. Fe2O3 Glass System

    SciTech Connect

    Salah, S.H.; Kashif, I.; Salem, S.M.; Mostafa, A.G.; El-Manakhly, K.A.

    2005-04-26

    Sodium-tetra-borate host glass containing both bismuth and iron cations were prepared obeying the composition (Na2B4O7)0.75 (Fe2O3)0.25-x (Bi2O3)x [where x = 0.0, 0.05, 0.10, 0.15, 0.20, and 0.25 mol.%]. X-ray diffraction indicated that all samples were in a homogeneous glassy phase. Moessbauer effect results showed that all iron ions appeared as Fe3+ ions occupying tetrahedral coordination state. The covalency of the Fe-O bond increased as bismuth oxide was gradually increased. IR measurements indicated the presence of some non-bridging oxygens and confirmed that iron ions occupy the tetrahedral coordination state. It was found also that, as Bi2O3 was gradually increased both magnetic susceptibility and specific volume decreased, while both density and molar volume increased.

  13. 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.

  14. Quarkonium spectroscopy

    SciTech Connect

    Scharre, D.L.

    1981-06-01

    Recent experimental investigations of heavy quark-antiquark bound state systems are reviewed. Results from SPEAR on charmonium spectroscopy and from DORIS and CESR on bottomonium spectroscopy are presented. The current status of the search for top is also discussed.

  15. Vibrational spectroscopy

    Treesearch

    Umesh P. Agarwal; Rajai Atalla

    2010-01-01

    Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...

  16. Normal mode analysis of Pyrococcus furiosus rubredoxin via nuclear resonance vibrational spectroscopy (NRVS) and resonance raman spectroscopy.

    PubMed

    Xiao, Yuming; Wang, Hongxin; George, Simon J; Smith, Matt C; Adams, Michael W W; Jenney, Francis E; Sturhahn, Wolfgang; Alp, Ercan E; Zhao, Jiyong; Yoda, Y; Dey, Abishek; Solomon, Edward I; Cramer, Stephen P

    2005-10-26

    We have used (57)Fe nuclear resonance vibrational spectroscopy (NRVS) to study the Fe(S(cys))(4) site in reduced and oxidized rubredoxin (Rd) from Pyrococcus furiosus (Pf). The oxidized form has also been investigated by resonance Raman spectroscopy. In the oxidized Rd NRVS, strong asymmetric Fe-S stretching modes are observed between 355 and 375 cm(-1); upon reduction these modes shift to 300-320 cm(-1). This is the first observation of Fe-S stretching modes in a reduced Rd. The peak in S-Fe-S bend mode intensity is at approximately 150 cm(-1) for the oxidized protein and only slightly lower in the reduced case. A third band occurs near 70 cm(-1) for both samples; this is assigned primarily as a collective motion of entire cysteine residues with respect to the central Fe. The (57)Fe partial vibrational density of states (PVDOS) were interpreted by normal mode analysis with optimization of Urey-Bradley force fields. The three main bands were qualitatively reproduced using a D(2)(d) Fe(SC)(4) model. A C(1) Fe(SCC)(4) model based on crystallographic coordinates was then used to simulate the splitting of the asymmetric stretching band into at least 3 components. Finally, a model employing complete cysteines and 2 additional neighboring atoms was used to reproduce the detailed structure of the PVDOS in the Fe-S stretch region. These results confirm the delocalization of the dynamic properties of the redox-active Fe site. Depending on the molecular model employed, the force constant K(Fe-S) for Fe-S stretching modes ranged from 1.24 to 1.32 mdyn/A. K(Fe-S) is clearly diminished in reduced Rd; values from approximately 0.89 to 1.00 mdyn/A were derived from different models. In contrast, in the final models the force constants for S-Fe-S bending motion, H(S-Fe-S), were 0.18 mdyn/A for oxidized Rd and 0.15 mdyn/A for reduced Rd. The NRVS technique demonstrates great promise for the observation and quantitative interpretation of the dynamical properties of Fe-S proteins.

  17. Structural reinvestigation of Li3FeN2: Evidence of cationic disorder through XRD, solid-state NMR and Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Panabière, E.; Emery, N.; Lorthioir, C.; Sougrati, M. T.; Jumas, J.-C.; Bach, S.; Pereira-Ramos, J.-P.; Smith, R. I.; Willmann, P.

    2016-08-01

    A significant cationic disorder is evidenced on Li3FeN2 prepared through solid-state reaction under controlled atmosphere. This derivative anti fluorite type structure (orthorhombic, space group Ibam, a=4.870(1) Å, b=9.652(1) Å and c=4.789(1) Å), solved first through single crystal X-ray diffraction [7], is usually described by Li+ and Fe+3 ordered distribution in tetrahedral sites formed by the nitrogen network, leading to [FeN4/2]3- edge-sharing tetrahedral chains. From 7Li/6Li Nuclear Magnetic Resonance spectroscopy, 57Fe Mössbauer spectroscopy and powder X-ray and neutron diffraction, we demonstrate that about 4% of lithium sites are filled by iron and about 11% of iron sites are occupied by Li, which can explain the discrepancy within the Gudat's model observed on larger scale solid-state synthesis samples.

  18. Role of iron in Na 1.5Fe 0.5Ti 1.5(PO 4) 3/C as electrode material for Na-ion batteries studied by operando Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Difi, Siham; Saadoune, Ismael; Sougrati, Moulay Tahar; Hakkou, Rachid; Edstrom, Kristina; Lippens, Pierre-Emmanuel

    2016-12-01

    The role of iron in Na 1.5Fe 0.5Ti 1.5(PO 4)3/C electrode material for Na batteries has been studied by 57Fe Mössbauer spectroscopy in operando mode. The potential profile obtained in the galvanostatic regime shows three plateaus at different voltages due to different reaction mechanisms. Two of them, at 2.2 and 0.3 V vs Na +/Na 0, have been associated to redox processes involving iron and titanium in Na 1.5Fe 0.5Ti 1.5(PO 4)3. The role of titanium was previously elucidated for NaTi 2(PO 4)3 and the effect of the substitution of Fe for Ti was investigated with 57Fe Mössbauer spectroscopy. We show that iron is an electrochemically active center at 2.2 V with the reversible Fe 3+/Fe 2+ transformation and then remains at the oxidation state Fe 2+ along the sodiation until the end of discharge at 0 V.

  19. Emission Mössbauer spectroscopy study of fluence dependence of paramagnetic relaxation in Mn/Fe implanted ZnO

    NASA Astrophysics Data System (ADS)

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

    2016-12-01

    Emission Mössbauer Spectroscopy following the implantation of radioactive precursor isotope 57Mn+ ( T 1/2= 1.5 min) into ZnO single crystals at ISOLDE/CERN shows that a large fraction of 57Fe atoms produced in the 57Mn beta decay is created as paramagnetic Fe3+ with relatively long spin-lattice relaxation times. Here we report on ZnO pre-implanted with 56Fe to fluences of 2×1013, 5×10 13 and 8 × 1013 ions/cm2 in order to investigate the dependence of the paramagnetic relaxation rate of Fe3+ on fluence. The spectra are dominated by magnetic features displaying paramagnetic relaxation effects. The extracted spin-lattice relaxation rates show a slight increase with increasing ion fluence at corresponding temperatures and the area fraction of Fe3+ at room temperature reaches a maximum contribution of 80(3)% in the studied fluence range.

  20. Characterization of the firing conditions of archaeological Marajoara pottery by Mössbauer spectroscopy and X-ray diffraction

    NASA Astrophysics Data System (ADS)

    Munayco, P.; Scorzelli, R. B.

    2013-08-01

    Here we report on a study of samples from fragments of Marajoara ceramics using 57Fe Mössbauer spectroscopy and XRD. The Mössbauer spectra were measured at room temperature (RT) and at liquid helium temperature (4.2 K). Despite a certain variability of the Mössbauer spectra, dominant features could be established, which allowed the samples to be classified into characteristic types (Möss-types) according to their Mössbauer patterns. The different Möss-types were defined on account of the presence and intensity or the absence of certain components, mainly in the RT spectra. The analysis is complemented by data obtained by X-ray diffraction.

  1. Chiroptical spectroscopy

    NASA Astrophysics Data System (ADS)

    Gunde, Kevin Edward

    1997-09-01

    The research presented here is of chiroptical spectroscopy. A new type of non-linear chiroptical spectroscopy, two-photon circular dichroism, is developed experimentally and theoretically. A theoretical formalism is developed to describe another new chiroptical spectroscopy, second-harmonic generation circular dichroism. An established type of chiroptical spectroscopy, time-resolved chiroptical luminescence, is applied to two new sets of subject systems. Journal articles related to these topics, as well as other research to which the author has contributed, are reproduced and included as appendices.

  2. Mössbauer spectroscopy in high T c superconductors

    NASA Astrophysics Data System (ADS)

    Felner, I.; Nowik, I.; Bauminger, E. R.

    1990-08-01

    Mossbauer spectroscopy has recently been applied to study the new high Tc superconducting compounds RBa2Cu3Oz, using isotopes of rare earths mainly155Gd and151Eu, and57Fe, with different amounts of Fe ions replacing Cu. It was shown that magnetic moments on the rare earth site do not interfere with superconductivity. Fe at low concentrations (<1%) was found to replace Cu mainly in the Cu(1) site, and the Mossbauer spectra reveal different quadrupole doublets-fol lowing the different oxygen coordination around the Fe ion. The change of the relative intensities of the different doublets with z can easily be followed. For higher iron concentrations, it seems that increasing amounts of iron replace Cu in the Cu(2) site. For z<6.5, the iron reflects the magnetic ordering of Cu in this site, and the ordering temperature as function of z can be obtained. The agreement between neutron diffraction and Mossbauer measurements prove that Fe is a good probe for the magnetic behaviour of the Cu(2) ions. At low temperatures, Fe Mossbauer spectra of Fe in the Cu(1) site are also magnetically broadened, for all z. Superconducting-magnetic phase diagrams are also obtained in Y1-x Prx Ba2 Cu3Oz as function of x and z. For z=7.1, TN changes sharply with x. TN=300, 230 and 35 K for x=0.8, 0.6 and 0.4 respectively, whereas for z=6.1 TN changes very little with x. Mossbauer measurements performed on 5 at %57Fe doped in CalaBaCu3Oz show that most of the la occupy the Ba site. For z=7 about half the iron in the Cu(2) sites are magnetically ordered, with Heff=520 kOe and TN=400 K, even though the sample is superconducting with Tc=35 K. The possibility of coexistence between superconductivity and magnetic order in these systems will be discussed.

  3. Characterization of magnetic nano materials by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Thakur, Sangeeta; Katyal, S. C.; Gupta, A.; Reddy, V. R.; Singh, M.

    2010-03-01

    The use of a non-destructive nuclear-physical method, namely 57Fe Mössbauer spectroscopy, is discussed for the investigation of magnetic and structural arrangement of Fe-based nano-crystalline nickel-zinc-indium ferrites (NZIFO). Nano NZIFO particles (Ni0.58Zn0.42InxFe2-xO4) with varied quantities of indium (x = 0, 0.1, 0.2) have been chemically synthesized through a reverse micelle reaction and investigated by X-ray diffraction, transmission electron microscopy and by magnetic and Mössbauer spectral studies. Here a comparison between low-temperature and room temperature Mössbauer spectra is presented. Well defined sextets at 5 K provide information about the structure and magnetic states of atoms located in different structural positions. The dependence of Mössbauer parameters, viz, isomer shift, quadrupole splitting, linewidth and hyperfine magnetic field on In3+ concentration have been discussed. Detailed Mössbauer results, as well as the interest of these materials both for applied science perspectives are presented. Mössbauer results are also supported by magnetization data. With these interesting ferromagnetic properties Indium substituted nano nickel-zinc ferrites have potential applications in magnetic storage data.

  4. Amateur Spectroscopy

    NASA Astrophysics Data System (ADS)

    Gavin, M.; Murdin, P.

    2003-04-01

    Spectroscopy (see ASTRONOMICAL SPECTROSCOPY) has seen a revival of late. Pioneers in the 19th century such as Angelo Secchi and William Huggins observed spectra visually via large refractors under pristine skies. While the eye can comprehend the brilliant solar spectrum and a few brighter stars aided by a telescope, even low spectral dispersion greatly dilutes starlight. Photo-film can marginally ...

  5. Raman Spectroscopy.

    ERIC Educational Resources Information Center

    Gerrard, Donald L.

    1984-01-01

    Reviews literature on Raman spectroscopy from late 1981 to late 1983. Topic areas include: instrumentation and sampling; liquids and solutions; gases and matrix isolation; biological molecules; polymers; high-temperature and high-pressure studies; Raman microscopy; thin films and surfaces; resonance-enhanced and surface-enhanced spectroscopy; and…

  6. Raman Spectroscopy.

    ERIC Educational Resources Information Center

    Gerrard, Donald L.

    1984-01-01

    Reviews literature on Raman spectroscopy from late 1981 to late 1983. Topic areas include: instrumentation and sampling; liquids and solutions; gases and matrix isolation; biological molecules; polymers; high-temperature and high-pressure studies; Raman microscopy; thin films and surfaces; resonance-enhanced and surface-enhanced spectroscopy; and…

  7. Equilibrium Iron Isotope Fractionation Factors of Minerals: Reevaluation from the Data of Nuclear Inelastic Resonant X-ray Scattering and Mossbauer Spectroscopy

    SciTech Connect

    Polyakov, Dr. V. B.; Clayton, R. N.; Horita, Juske; Mineev, S. D.

    2007-01-01

    We have critically reevaluated equilibrium iron isotope fractionation factors for oxide and sulfide minerals using recently acquired data obtained by Moessbauer spectroscopy and inelastic nuclear resonant X-ray scattering (INRXS) synchrotron radiation. Good agreement was observed in the iron {beta}-factors of metallic iron ({alpha}-Fe) and hematite calculated using both Moessbauer- and INRXS-derived data, which supports the validity and reliability of the calculations. Based on this excellent agreement, we suggest the use of the present data on the iron {beta}-factors of hematite as a reference. The previous Moessbauer-derived iron {beta}-factor for magnetite has been modified significantly based on the Fe-sublattice density of states obtained from the INRXS experiments. This resolves the disagreement between naturally observed iron isotope fractionation factors for mineral pairs involving magnetite and those obtained from the calculated {beta}-factors. The correctness of iron {beta}-factor for pyrite has been corroborated by the good agreement with experimental data of sulfur isotope geothermometers of pyrite-galena and pyrite-sphalerite. A good correlation between the potential energy of the cation site, the oxidation state of iron and the iron {beta}-factor value has been established. Specifically, ferric compounds, which have a higher potential energy of iron than ferrous compounds, have higher {beta}-factors. A similar dependence of b-factors on the oxidation state and potential energy could be extended to other transition metals. Extremely low values of INRXS-derived iron {beta}-factors for troilite and Fe{sub 3}S significantly widen the range of iron b-factors for covalently bonded compounds.

  8. Characterization of carbonitrided and oxidized layers on low-carbon steel by conversion electron Moessbauer spectrometry, X-ray diffractometry, and X-ray photoelectron spectrometry

    SciTech Connect

    Kurosawa, K.; Li, H.L.; Ujihira, Y.; Nomura, K.

    1999-03-01

    The structures of low-carbon steel oxidized in an aqueous saline bath at 403 K and a fused salt bath at 673 K after carbonitriding were studied using conversion electron Moessbauer spectrometry (CEMS), x-ray diffractometry (XRD), and x-ray photoelectron spectrometry (XPS). Only a doublet peak caused by poor crystallinity of iron oxyhydroxides (FeOOH) or fine particles of iron oxides such as magnetite (Fe{sub 3}O{sub 4}) and maghemite ({gamma}-Fe{sub 2}O{sub 3}) was detected in the CEMS spectra of the surface of the carbonitrided steel oxidized in the aqueous saline bath. Corrosion resistance of the carbonitrided specimens was increased by oxidizing. The oxidized layers produced in the aqueous saline bath were superior to those produced in the fused salt bath as a result of pores in the carbonitrided zone being filled with finer particles of iron oxides and the production of tight, thick oxide layers of amorphous iron oxyhydroxides or fine iron oxides. Deformation of iron nitride ({gamma}{prime}-Fe{sub 4}N) crystals in the carbonitrided zone could not be detected by oxidizing in the aqueous saline bath but were detected in the fused salt bath at 673 K.

  9. 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

  10. Gamma-resonance study of nanopowders with different dispersion and quasicrystalline phases in the Al-Cu-Fe system

    SciTech Connect

    Frolov, K. V. Mikheeva, M. N.; Lyubutin, I. S.; Nikonov, A. A.; Teplov, A. A.; Shaitura, D. S.; Abuzin, Yu. A.

    2007-11-15

    {sup 57}Fe Moessbauer spectroscopy has been used to monitor synthesis of quasicrystals in the Al-Cu-Fe system and study the influence of the size of quasicrystalline particles in powder samples of the Al{sub 63.1}Cu{sub 25.6}Fe{sub 11.3} alloy on the properties of synthesized materials. Quasicrystalline samples of different dispersion with particle sizes from 0.3 to 15 {mu}m have been studied in the temperature range 80-295 K. It is established that iron atoms in an Al{sub 63.1}Cu{sub 25.6}Fe{sub 11.3} quasicrystals occupy four types of structural positions, which differ in the atomic composition of the nearest environment. The results of the analysis suggest the dependence of the hyperfine-interaction parameters on the degree of sample dispersion. The components corresponding to iron atoms in both the surface layer and bulk of microparticles are isolated in the Moessbauer spectra. No magnetic hyperfine splitting has been found in the Moessbauer spectra in the entire temperature range. This fact suggests that a localized magnetic moment is absent in iron atoms.

  11. Study of C-coated LiFe{sub 0.33}Mn{sub 0.67}PO{sub 4} as positive electrode material for Li-ion batteries

    SciTech Connect

    Perea, A.; Castro, L.; Aldon, L.; Stievano, L.; Dedryvere, R.; Gonbeau, D.; Tran, N.; Nuspl, G.; Breger, J.; Tessier, C.

    2012-08-15

    Commercial C-LiFe{sub 0.33}Mn{sub 0.67}PO{sub 4} positive electrode material has been investigated by {sup 57}Fe Moessbauer Spectroscopy (MS), X-ray Photoelectron Spectroscopy (XPS) and X-ray Absorption Spectroscopy (XAS). The combined use of these experimental techniques provides a better understanding of the electrochemical reaction involved during cycling. {sup 57}Fe MS is very efficient to directly follow oxidation state of Fe in the electrode, and gives surprisingly indirect information on the oxidation state of Mn as observed by XAS and XPS. The electrochemical mechanism is proposed based from in situ and operando investigations using both MS and XAS, and is consistent with XPS surface studies. XPS analysis of the electrodes at the end of charge (4.4 V) reveals enhanced electrode/electrolyte interface reactivity at this high potential. Aging of C-LiFe{sub 0.33}Mn{sub 0.67}PO{sub 4}/Li cells after 50 cycles at 60 Degree-Sign C indicates a rather good electrochemical behavior (low capacity fading) of the electrode material. Both {sup 57}Fe MS and XPS (Mn 2p and Fe 2p) clearly show no modification on Fe and Mn oxidation state compared to fresh electrode confirming the good electrochemical performances. - Graphical abstrct: Quantitative evaluation of the Fe{sup 3+} and Mn{sup 3+} content during the first charge/discharge cycle obtained from K-edge XANES spectra of C-LiFe{sub 0.33}Mn{sub 0.67}PO{sub 4} recorded upon cell operation at RT with C/10 rate. During the charge co-existence of Fe and Mn oxidation is observed between points 2 and 4 of the potential curve. At the end of the charge the cut-off voltage limits the oxidation at about 93%. Highlights: Black-Right-Pointing-Pointer C-LiFe{sub 0.33}Mn{sub 0.67}PO{sub 4} electrode material upon cycling vs. metallic lithium. Black-Right-Pointing-Pointer {sup 57}Fe Moessbauer spectroscopy is a (in)direct probe for Fe(Mn) oxidation state. Black-Right-Pointing-Pointer Both K-Fe and K-Mn edges XAS show a simultaneous

  12. 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.

  13. 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.

  14. Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Gleeson, Helen F.

    Raman spectroscopy has been used as a tool to study liquid crystals for several decades. There are several features that make Raman spectroscopy an important characterisation method. It is bond-specific, so can provide information about the interaction of liquid crystals with colloidal systems and can offer an insight into phase transitions. The polarization dependence of the scattering can be used to determine order parameters in liquid crystal systems. Finally, the relatively high spatial resolution of the technique (∽1 μm) can be used to explore spatiallydependent order in soft matter systems. This chapter describes the most important ways in which Raman spectroscopy can be used to reveal information about liquid crystal systems, illustrated by examples. Both the theoretical background and experimental considerations are described, providing a comprehensive introduction to anybody interested in using the technique to understand liquid crystal systems.

  15. Cometary spectroscopy

    NASA Astrophysics Data System (ADS)

    Biver, N.

    2011-04-01

    Cometary spectroscopy from the ultraviolet to the radio wavelength domain provides us with insights on the composition of the gases that are released by the cometary nuclei. While infrared to millimeter spectroscopy give access to the parent molecules that are released directly from the nucleus, visible spectroscopy enables observation of daughter species. Those "radicals" observable in the visible domain have more complex spectroscopic band-like structures and are mainly CN, C2, C3, NH2. Their spectroscopic signatures are easily accessible to amateur astronomers class equipment. Provided that carefully calibrated data are acquired, some simple calculation can readily be done to convert the line intensities into comet molecular outgassing rates and thus provide interesting physical data on comets. In addition to broadband dust measurements, the interested amateur can produce valuable scientific data on comets that will always be welcome from the professional community and certainly useful as the monitoring of comets activity is always essential.

  16. Biotransformation and metabolism of magnetic nanoparticles in an organism from Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Mischenko, I.; Chuev, M.

    2012-02-01

    Mössbauer spectroscopy is a powerful method for investigation structural, magnetic and thermodynamic properties of magnetic nanoparticles, in particular those delivered in a body. Multiform temperature- and field-dependent Mössbauer absorption spectra of fine particles provides the researcher with rich information about physical characteristics inherent to such particles staying in different environment. With that the 57Fe gamma-resonant spectroscopy is efficiently used to study spin states, electronic and dynamical properties of iron-containing proteins in a living organism. For quantitative estimates of characteristics of the magnetic nanoparticles it is required to define a model of the magnetic dynamics. We have developed such a model and performed consistent least-square fitting procedure for the set of temperature- and magnetic field-dependent spectra as well as magnetization curves of nanoparticles injected into mice. This allowed us to reliably evaluate changes in the nanoparticles characteristics and the chemical transformation of the iron to paramagnetic ferritin-like forms in mouse's organs as a function of time after injection of nanoparticles. In fact, the approach allows the researcher to quantitatively characterize biotransformation and metabolism of magnetic nanoparticles injected into a body.

  17. Modern Spectroscopy

    ERIC Educational Resources Information Center

    Barrow, Gordon M.

    1970-01-01

    Presents the basic ideas of modern spectroscopy. Both the angular momenta and wave-nature approaches to the determination of energy level patterns for atomic and molecular systems are discussed. The interpretation of spectra, based on atomic and molecular models, is considered. (LC)

  18. Raman spectroscopy

    USDA-ARS?s Scientific Manuscript database

    Raman spectroscopy has gained increased use and importance in recent years for accurate and precise detection of physical and chemical properties of food materials, due to the greater specificity and sensitivity of Raman techniques over other analytical techniques. This book chapter presents Raman s...

  19. Grain Spectroscopy

    NASA Technical Reports Server (NTRS)

    Allamandola, L. J.

    1992-01-01

    Our fundamental knowledge of interstellar grain composition has grown substantially during the past two decades thanks to significant advances in two areas: astronomical infrared spectroscopy and laboratory astrophysics. The opening of the mid-infrared, the spectral range from 4000-400 cm(sup -1) (2.5-25 microns), to spectroscopic study has been critical to this progress because spectroscopy in this region reveals more about a materials molecular composition and structure than any other physical property. Infrared spectra which are diagnostic of interstellar grain composition fall into two categories: absorption spectra of the dense and diffuse interstellar media, and emission spectra from UV-Vis rich dusty regions. The former will be presented in some detail, with the latter only very briefly mentioned. This paper summarized what we have learned from these spectra and presents 'doorway' references into the literature. Detailed reviews of many aspects of interstellar dust are given.

  20. Grain Spectroscopy

    NASA Technical Reports Server (NTRS)

    Allamandola, L. J.

    1992-01-01

    Our fundamental knowledge of interstellar grain composition has grown substantially during the past two decades thanks to significant advances in two areas: astronomical infrared spectroscopy and laboratory astrophysics. The opening of the mid-infrared, the spectral range from 4000-400 cm(sup -1) (2.5-25 microns), to spectroscopic study has been critical to this progress because spectroscopy in this region reveals more about a materials molecular composition and structure than any other physical property. Infrared spectra which are diagnostic of interstellar grain composition fall into two categories: absorption spectra of the dense and diffuse interstellar media, and emission spectra from UV-Vis rich dusty regions. The former will be presented in some detail, with the latter only very briefly mentioned. This paper summarized what we have learned from these spectra and presents 'doorway' references into the literature. Detailed reviews of many aspects of interstellar dust are given.

  1. Laser Spectroscopy

    NASA Astrophysics Data System (ADS)

    Katori, H.; Yoneda, H.; Nakagawa, K.; Shimizu, F.

    2010-02-01

    Anderson localization of matter-waves in a controlled disorder: a quantum simulator? / A. Aspect ... [et al.] -- Squeezing and entanglement in a Bose-Einstein condensate / C. Gross ... [et al.] -- New physics in dipolar Bose-Einstein condensates / Y. Kawaguchi, H. Saito, and M. Ueda -- Observation of vacuum fluctuations in a spinor Bose-Einstein condensate / C. Klempt ... [et al.] -- Negative-index media for matter waves / F. Perales ... [et al.] -- Entanglement of two individual atoms using the Rydberg blockade / A. Browaeys ... [et al.] -- Array of mesoscopic ensembles on a magnetic atom chip / A. F. Tauschinsky ... [et al.] -- Stability of the proton-to-electron mass ratio tested with molecules using an optical link to primary clock / A. Amy-Klein ... [et al.] -- Metastable helium: lifetime measurements using cold atoms as a test of QED / K. G. H. Baldwin ... [et al.] -- Optical lattice clocks with single occupancy bosons and spin-polarized fermions toward 10[symbol] accuracy / M. Takamoto ... [et al.] -- Frequency measurements of Al[symbol] and Hg[symbol] optical standards / W. M. Itano ... [et al.] -- Switching of light with light using cold atoms inside a hollow optical fiber / M. Bajcsy ... [et al.] -- Room-temperature atomic ensembles for quantum memory and magnetometry / K. Jensen ... [et al.] -- Components for multi-photon non-classical state preparation and measurement / G. Puentes ... [et al.] -- Quantum field state measurement and reconstruction in a cavity by quantum nondemolition photon counting / M. Brune ... [et al.] -- XUV frequency comb spectroscopy / C. Gohle ... [et al.] -- Ultrahigh-repetition-rate pulse train with absolute-phase control produced by an adiabatic raman process / M. Katsuragawa ... [et al.] -- Strongly correlated bosons and fermions in optical lattices / S. Will ... [et al.] -- Bragg spectroscopy of ultracold bose gases in optical lattices / L. Fallani ... [et al.] -- Synthetic quantum many-body systems / C. Guerlin ... [et al

  2. 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.

  3. Hypernuclear spectroscopy

    SciTech Connect

    F. Garibaldi, O. Hashimoto, J.J. LeRose, P. Markowitz, S.N. Nakamura, J. Reinhold, L. Tang

    2011-06-01

    A program of hypernuclear spectroscopy experiments encompassing many hypernuclei has been undertaken in both Halls A and C using complimentary approaches. Spectra with sub-MeV resolution have been obtained for Li, B, and N in Hall A, while results from Hall C include He, B, and Al with new data still under analysis for He, Li, Be, B and V. High resolution and high precision in the determination of the single Λ binding energy at various shell levels has been the key success of these experiments using the (e,e'K+) reaction to produce Λ hypernuclei.

  4. Raman spectroscopy

    SciTech Connect

    Gerrard, D.L.; Bowley, H.J.

    1988-06-15

    The period of this review is from late 1985 to late 1987. During this time over 6000 papers have been published in the scientific literature dealing with many applications of Raman spectroscopy and extending its use to new areas of study. This article covers only those papers that are relevant to the analytical chemist and this necessitates a highly selective approach. There are some areas that have been the subject of many papers with relatively few being of analytical interest. In such cases the reader is referred to appropriate reviews which are detailed in this section.

  5. Comparative study of the iron cores in human liver ferritin, its pharmaceutical models and ferritin in chicken liver and spleen tissues using Mössbauer spectroscopy with a high velocity resolution.

    PubMed

    Alenkina, I V; Oshtrakh, M I; Klepova, Yu V; Dubiel, S M; Sadovnikov, N V; Semionkin, V A

    2013-01-01

    Application of Mössbauer spectroscopy with a high velocity resolution (4096 channels) for comparative analysis of iron cores in a human liver ferritin and its pharmaceutically important models Imferon, Maltofer(®) and Ferrum Lek as well as in iron storage proteins in chicken liver and spleen tissues allowed to reveal small variations in the (57)Fe hyperfine parameters related to differences in the iron core structure. Moreover, it was shown that the best fit of Mössbauer spectra of these samples required different number of components. The latter may indicate that the real iron core structure is more complex than that following from a simple core-shell model. The effect of different living conditions and age on the iron core in chicken liver was also considered.

  6. Characterization of the Fe site in iron-sulfur cluster-free hydrogenase (Hmd) and of a model compound via nuclear resonance vibrational spectroscopy (NRVS).

    PubMed

    Guo, Yisong; Wang, Hongxin; Xiao, Yuming; Vogt, Sonja; Thauer, Rudolf K; Shima, Seigo; Volkers, Phillip I; Rauchfuss, Thomas B; Pelmenschikov, Vladimir; Case, David A; Alp, Ercan E; Sturhahn, Wolfgang; Yoda, Yoshitaka; Cramer, Stephen P

    2008-05-19

    We have used (57)Fe 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. For Hmd, 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 approximately 311 cm(-1) and another reproducible feature at approximately 380 cm(-1). The (57)Fe 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 five-coordinate cis-(CO)2-ligated Fe site with additional cysteine, water, and pyridone cofactor ligands. A "truncated" model without a water ligand can also be used to match the NRVS data. A final interpretation of the Hmd NRVS data, including DFT analysis, awaits a three-dimensional structure for the active site.

  7. Laser Spectroscopy

    NASA Astrophysics Data System (ADS)

    Hollberg, Leo; Bergquist, James Charles; Kasevich, Mark A.

    2008-04-01

    Degenerate gases. Probing vortex pair sizes in the Berezinskii-Kosterlitz-Thouless regime on a two-dimensional lattice of Bose-Einstein condensates / V. Schweikhard ... [et al.]. Interacting Bose-Einstein condensates in random potentials / P. Bouyer ... [et al.]. Towards quantum magnetism with ultracold atoms in optical lattices / I. Bloch -- Precision measurement and fundamental physics. T-violation and the search for a permanent electric dipole moment of the mercury atom / E. N. Fortson -- Quantum information and control I. Quantum information processing and ramsey spectroscopy with trapped ions / C. F. Roos ... [et al.]. Quantum non-demolition counting of photons in a cavity / S. Haroche ... [et al.] -- Ultra-fast control and spectroscopy. Frequency-Comb- assisted mid-infrared spectroscopy / P. de Natale ... [et al.] -- Precision measurement and applications. Precision gravity tests by atom interferometry / G. M. Tino ... [et al.] -- Novel spectroscopic applications. On a variation of the proton-electron mass ratio / W. Ubachs ... [et al.] -- Quantum information and control II. Quantum interface between light and atomic ensembles / H. Krauter ... [et al.] -- Degenerate Fermi gases. An atomic Fermi gas near a P-wave Feshbach resonance / D. S. Jin, J. P. Gaebler and J. T. Stewart. Bragg scattering of correlated atoms from a degenerate Fermi gas / R. J. Ballagh, K. J. Challis and C. W. Gardiner -- Spectroscopy and control of atoms and molecules. Stark and Zeeman deceleration of neutral atoms and molecules / S. D. Hogan ... [et al.]. Generation of coherent, broadband and tunable soft x-ray continuum at the leading edge of the driver laser pulse / A. Jullien ... [et al.]. Controlling neural atoms and photons with optical conveyor belts and ultrathin optical fibers / D. Meschede. W. Alt and A. Rauschenbeutel -- Spectroscopy on the small scale. Wide-field cars-microscopy / C. Heinrich ... [et al.]. Atom nano-optics and nano-lithography / V. I. Balykin ... [et al

  8. 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

  9. 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

    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

    2011-06-14

    We have used (57)Fe 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 conducted NRVS with D14C ferredoxin samples with (36)S substituted into the [4Fe-4S] cluster bridging sulfide positions, and a model compound without ligand side chains, (Ph(4)P)(2)[Fe(4)S(4)Cl(4)]. 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 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 (57)Fe partial vibrational densities of states 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 [Fe(4)S(4)](2+/+) redox cycle. Overall, the NRVS technique demonstrates great promise for the observation and quantitative interpretation of the dynamical properties of Fe-S proteins.

  10. Phase Identification of Iron Nitrides and Iron Oxy-Nitrides with Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Borsa, D. M.; Boerma, D. O.

    2003-12-01

    The Mössbauer spectroscopy of all known Fe nitrides is the topic of this paper. Most of the data were accumulated during a study of the growth of the various Fe nitride phases using molecular beam epitaxy of Fe in the presence of a flux of atomic N, or by post-nitriding freshly grown Fe layers also in a flux of atomic N. To get accurate data, most samples were grown with iron enriched in the isotope57Fe. Part of the samples were capped in the ultra-high vacuum (UHV) growth facility before exposure to air. By comparing MS data of samples which were capped with that of uncapped samples, we were able to measure the MS components due to oxidation of the nitrides. Also the oxidation behavior at elevated temperatures was studied. This led to a coherent description of the formation of oxy-nitrides as a function of temperature. The UHV conditions during growth and the capping of samples allowed us also to produce for the first time clean samples of Fe nitrides with a composition close to FeN. The phase formation in this composition range is extensively discussed. A fairly complete set of Mössbauer data for all Fe nitride phases and the phases occurring during their exposure to air is presented. This data set may serve to analyze samples of unknown composition, containing Fe nitrides.

  11. Eu doping in multiferroic BiFeO3 ceramics studied by Mossbauer and EXAFS spectroscopy.

    PubMed

    Kothari, Deepti; Raghavendra Reddy, V; Gupta, Ajay; Meneghini, Carlo; Aquilanti, Giuliana

    2010-09-08

    Bismuth ferrite ceramics (BiFeO(3)) are multifunctional materials classified as multiferroics for their special magnetic and electric properties that can be modified by substitutional doping at the Bi and/or Fe sites. Understanding the relation between magnetoelectric response and structural/electronic modification upon doping is a relevant issue. In this work, the structure of Eu-doped multiferroic systems (Bi(1-x)Eu(x)FeO(3), x = 0, 0.5, 0.1, 0.15) as well as the valence state of Fe and Eu ions have been investigated combining Mossbauer and x-ray absorption fine structure (XAFS) spectroscopy techniques. The Eu(3+) doping at the Bi site results in better magnetic properties. High temperature (57)Fe Mossbauer data and Fe K-edge XAFS results show that FeO(6) octahedron distortions reduce with Eu(3+) doping. It is conclusively shown that the observed magnetic properties in BiFeO(3) with chemical substitution (Eu) are mainly due to the structural distortions and not due to Fe multiple valence. (151)Eu Mossbauer measurements show that the Eu(3+)(Bi(3+)) site is magnetically inactive in BiFeO(3).

  12. What Can Be Learned from Nuclear Resonance Vibrational Spectroscopy: Vibrational Dynamics and Hemes.

    PubMed

    Scheidt, W Robert; Li, Jianfeng; Sage, J Timothy

    2017-09-18

    Nuclear resonance vibrational spectroscopy (NRVS; also known as nuclear inelastic scattering, NIS) is a synchrotron-based method that reveals the full spectrum of vibrational dynamics for Mössbauer nuclei. Another major advantage, in addition to its completeness (no arbitrary optical selection rules), is the unique selectivity of NRVS. The basics of this recently developed technique are first introduced with descriptions of the experimental requirements and data analysis including the details of mode assignments. We discuss the use of NRVS to probe (57)Fe at the center of heme and heme protein derivatives yielding the vibrational density of states for the iron. The application to derivatives with diatomic ligands (O2, NO, CO, CN(-)) shows the strong capabilities of identifying mode character. The availability of the complete vibrational spectrum of iron allows the identification of modes not available by other techniques. This permits the correlation of frequency with other physical properties. A significant example is the correlation we find between the Fe-Im stretch in six-coordinate Fe(XO) hemes and the trans Fe-N(Im) bond distance, not possible previously. NRVS also provides uniquely quantitative insight into the dynamics of the iron. For example, it provides a model-independent means of characterizing the strength of iron coordination. Prediction of the temperature-dependent mean-squared displacement from NRVS measurements yields a vibrational "baseline" for Fe dynamics that can be compared with results from techniques that probe longer time scales to yield quantitative insights into additional dynamical processes.

  13. Influence of Sn{sup 4+} and Sn{sup 4+}/Mg{sup 2+} doping on structural features and visible absorption properties of {alpha}-Fe{sub 2}O{sub 3} hematite

    SciTech Connect

    Gaudon, M.; Pailhe, N.; Majimel, J.; Wattiaux, A.; Abel, J.; Demourgues, A.

    2010-09-15

    Pure, Sn-doped and Mg/Sn co-doped {alpha}-Fe{sub 2}O{sub 3} hematite samples were synthesized by precipitation process. Fe{sub 2}O{sub 3} is the most popular red mineral pigment which is used largely in traditional ceramics, tar and concrete. The compounds were characterized by powder X-ray diffraction (XRD), scanning transmission electronic microscopy (energy dispersive X-ray cartography), Moessbauer spectroscopy, magnetic investigations versus temperature and visible-NIR spectroscopy. Both {sup 57}Fe and {sup 119}Sn Moessbauer analyses combined with rietveld XRD refinements are the ideal techniques to characterize tin-iron oxides. Hence, thanks to these techniques it was shown how the synthesis temperature influences directly the grain size and the dopants concentration limit which can be incorporated into the host hematite matrix. The stabilization of these tetravalent and divalent dopants into the hematite framework leads to reduce the crystal growth and to limit the (AF) ordering due to the formation of cationic vacancies. The study of the Morin magnetic transition emphasizes this demonstration. In a second part, the influence of the dopants incorporation on the material color was investigated in order to show which key parameters allow improving the red color saturation of iron oxides. In order to improve the red color of the hematites, it was shown that the introduction of cationic vacancies-limiting the octahedral distortion thanks to the interruption of the dissymmetric metal-metal orbital coupling-is the key point. Vacancies are created by Sn{sup 4+}, doping for an increase of the introduced Sn{sup 4+} concentration; it acts to the detriment of the color saturation. - Graphical Abstract: Sn-doped or Sn/Mg-doped Fe{sub 2}O{sub 3} hematites, were analyzed by X-ray diffraction refinement, Moessbauer spectroscopy, magnetic characterization and TEM investigations. Their color is correlated to the doping ions concentration.

  14. 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.

  15. Hyperfine Interactions of 57Fe Nuclei in the Study of Interdiffusion Phenomena and Phase Formation

    NASA Astrophysics Data System (ADS)

    Carbucicchio, M.; Palombarini, G.; Rateo, M.

    1998-07-01

    The effects of interdiffusion phenomena and reactions occurring in the early stages of the interaction at 1273 K between iron and chromium monoborides were studied by transmission Mössbauer and X-ray diffraction techniques, and modifications occurring in Fe/Al multilayers during both deposition and subsequent thermal aging at 400 K in vacuum or air were studied by conversion electron Mössbauer and Auger electron depth profiling techniques. In both cases the main objective of the work was to obtain a better understanding of the mechanisms of modification of the materials under examination with a view towards improving the properties of materials and coatings for specific applications.

  16. Iron nano-clusters in ytterbium films: a 57Fe Mössbauer spectroscopic study

    NASA Astrophysics Data System (ADS)

    Rojas-Ayala, C.; Herrera, W. T.; Dinóla, I. S.; Kraken, M.; Passamani, E. C.; Baggio-Saitovitch, E.; Litterst, F. J.

    2014-01-01

    We have performed a Mössbauer study on iron clusters that are formed in ytterbium films prepared by vapor co-deposition onto kapton substrates kept at room temperature. The film thicknesses were chosen in a range between 2.5 and 2.8 m. XRD of the films reveals a mixture of fcc- and hcp-like ytterbium. Iron concentrations were between 0.3 and 5 at %. All samples reveal hyperfine spectra attributed to only two types of iron clusters with well defined hyperfine parameters. The clusters are supposed to be formed at boundaries of hcp- and fcc-like grains. In addition there is found a small contribution from monomeric iron. Spectra taken at 4.2 K reveal a complex distribution of magnetic hyperfine fields. The dynamic origin of the spectral shape is supported by susceptibility data revealing spin-freezing at temperatures below ca. 10 K. This proves that the iron clusters have sizes on the order of nm.

  17. Laser spectroscopy 9

    SciTech Connect

    Feld, M.S. . Dept. of Physics); Thomas, J.E. . Dept. of Physics); Mooradian, A. . Lincoln Lab.)

    1989-01-01

    This book covers subjects under the following headings: New cooling mechanisms; Laser spectroscopy; Cavity Qed; Noise and coherence; Quantum size effects; Surface spectroscopy; Laser light sources; Trapped ion spectroscopy; and Fundamental measurements.

  18. Amateur spectroscopy

    NASA Astrophysics Data System (ADS)

    Gavin, M. V.

    1998-06-01

    (The 1997 Presidential Address to the British Astronomical Association.) Auguste Comte is remembered for an unfortunate remark. In 1825 he said the chemical composition of stars would never be revealed. Within a decade or so the heart of the atom was being explored in remote stars through the science of spectroscopy. In simplistic terms one can regard the atom as a miniature solar system, but with the novel option that electrons (representing planets) having the ability to 'jump' from one orbit to another. In 'falling' to a lower orbit a photon of light of precise wavelength is released to travel outwards. When the electron 'jumps' to a higher orbit a photon of light is absorbed. This is taking place on a vast scale which we observe as lines in the spectrum - their position and prominence relates to the particular atomic element, temperature and pressure within the stellar atmosphere. It is beyond the scope of this Address to discuss the various processes that affect spectra, or to provide a mathematical explanation which can be found elsewhere. In any case the lack of a deep understanding does not preclude enjoyable or useful observations. Methods and results from amateurs conducting such observations are discussed in this paper.

  19. MHD Spectroscopy

    SciTech Connect

    Heeter, R F; Fasoli, A; Testa, D; Sharapov, S; Berk, H L; Breizman, B; Gondhalekar, A; Mantsinen, M

    2004-03-23

    Experiments are conducted on the JET tokamak to assess the diagnostic potential of MHD active and passive spectroscopy, for the plasma bulk and its suprathermal components, using Alfv{acute e}n Eigenmodes (AEs) excited by external antennas and by energetic particles. The measurements of AE frequencies and mode numbers give information on the bulk plasma. Improved equilibrium reconstruction, in particular in terms of radial profiles of density and safety factor, is possible from the comparison between the antenna driven spectrum and that calculated theoretically. Details of the time evolution of the non-monotonic safety factor profile in advanced scenarios can be reconstructed from the frequency of ICRH-driven energetic particle modes. The plasma effective mass can be inferred from the resonant frequency of externally driven AEs in discharges with similar equilibrium profiles. The stability thresholds and the nonlinear development of the instabilities can give clues on energy and spatial distribution of the fast particle population. The presence of unstable AEs provides lower limits in the energy of ICRH generated fast ion tails. Fast ion pressure gradients and their evolution can be inferred from the stability of AEs at different plasma radial positions. Finally, the details of the AE spectrum in the nonlinear stage can be used to obtain information about the fast particle velocity space diffusion.

  20. SIMP spectroscopy

    NASA Astrophysics Data System (ADS)

    Hochberg, Yonit; Kuflik, Eric; Murayama, Hitoshi

    2016-05-01

    We study the interactions between strongly interacting massive particle dark matter and the Standard Model via a massive vector boson that is kinetically mixed with the hypercharge gauge boson. The relic abundance is set by 3 → 2 self-interactions of the dark matter, while the interactions with the vector mediator enable kinetic equilibrium between the dark and visible sectors. We show that a wide range of parameters is phenomenologically viable and can be probed in various ways. Astrophysical and cosmological constraints are evaded due to the p-wave nature of dark matter annihilation into visible particles, while direct detection methods using electron recoils can be sensitive to parts of the parameter space. In addition, we propose performing spectroscopy of the strongly coupled dark sector at e + e - colliders, where the energy of a mono-photon can track the resonance structure of the dark sector. Alternatively, some resonances may decay back into Standard Model leptons or jets, realizing `hidden valley' phenomenology at the LHC and ILC in a concrete fashion.

  1. Modifications of the magnetic properties of ferrites by swift heavy ion irradiations

    SciTech Connect

    Costantini, Jean-Marc; Studer, Francis; Peuzin, Jean-Claude

    2001-07-01

    Single crystal plates of ferrimagnetic yttrium iron garnet (111)-YIG:Si (Y{sub 3}Fe{sub 4.94}Si{sub 0.06}O{sub 12}) and barium hexaferrite (00.1)-BaM (BaFe{sub 12}O{sub 19}) or (00.1)-BaM:Co,Ti (BaFe{sub 9.1}Co{sub 1.4}Ti{sub 1.5}O{sub 19}) are irradiated with swift heavy ions (3.8 GeV {sup 129}Xe or 6.0 GeV {sup 208}Pb) in the electronic slowing down regime, above the threshold ({approximately}20 keV nm{minus}1) of formation of continuous and homogeneous cylindrical amorphous tracks. The modifications of the magnetic properties are studied by {sup 57}Fe Moessbauer spectroscopy and ac magnetic permeability measurements versus ion fluence. In the doped crystals having a planar magnetic anisotropy (YIG:Si and BaM:Co,Ti), the room-temperature Moessbauer spectra show that the magnetization is flipped perpendicularly to the sample plane at a critical amorphous fraction around 30% in both compounds. This corresponds to a 90% drop of the measured in-plane magnetic permeability. No such effect is seen in the undoped BaM samples with the axial [00.1] anisotropy. These data are interpreted by a magnetomechanical effect generated by the stress field induced by the amorphous tracks in the sample plane which flips the magnetization along the track-axis direction when the stress-induced anisotropy constant surpasses the pristine crystal anisotropy constant at the critical amorphous fraction. In the case of YIG:Si single crystal, a track-induced anisotropy field around 0.1 T is deduced from the Moessbauer spectra under a magnetic field applied in the sample (111) plane which rotates the magnetization back to the easy {l_angle}111{r_angle} magnetization axis lying near the sample (111) plane in a reversible manner. The magnetic ordering of amorphous YIG:Si below 70 K is also studied by Moessbauer spectroscopy under high magnetic field (5 T). A two-dimensional Bruggeman model used for the calculation of the permeability of the crystal+amorphous track composites yields track

  2. Preparation and Characterization of Ultrathin Stainless Steel Films

    SciTech Connect

    Sahoo, B.; Schlage, K.; Roehlsberger, R.; Major, J.; Hoersten, U. von; Keune, W.; Wende, H.

    2011-06-30

    We report on the preparation of polycrystalline austenitic 310 ({sup 57}Fe{sub 0.55}Cr{sub 0.25}Ni{sub 0.20}) stainless steel (SS) thin films on Si substrates and the characterization of their residual magnetism via {sup 57}Fe conversion-electron Moessbauer spectroscopy (CEMS). The films were structurally characterized at room temperature by X-ray diffraction (XRD). The virgin films were found to be structurally disordered. Subsequent annealing at moderate temperatures in ultrahigh vacuum produces the ordered martensitic and austenitic SS phases. Further annealing at higher temperatures (up to temperatures where long-range diffusion into the substrate is still weak) transforms the films into the austenitic phase with no trace of a magnetic hyperfine interaction. However, when a 2 nm thick SS thin film is embedded between two carbon layers, the as prepared disordered SS film does not transform to the martensitic or austenitic SS phase irrespective of the annealing temperature, probably because the interdiffusion with C prohibits the formation of these phases.

  3. 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.

  4. Study on the ferromagnetic state in iron mixed-valence complexes, A[FeIIFeIII(dto)3] (A = (n-CnH2n + 1)4N; dto = C2S2O2) by means of Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Ono, Yuki; Okazawa, Atsushi; Enomoto, Masaya; Kojima, Norimichi

    2012-03-01

    We have investigated the ferromagnetic states for (n-CnH2n + 1)4N[FeIIFeIII(dto)3] (n = 3-6; dto = C2O2S2) by means of 57Fe Mössbauer spectroscopy. The major component of the spin configuration in the ferromagnetic states for n = 3 and 4 is the low-temperature phase (LTP) with the FeIII (S = 5/2) and FeII (S = 0) states. The high-temperature phase (HTP) of n = 4 remains by more than 20%, which is consistent with two ferromagnetic transitions (TC = 7 & 13 K). Moreover, it was revealed that the Mössbauer spectra in the ferromagnetic states for n = 5 and 6 correspond to the HTP consisting of the FeII (S = 2) and FeIII (S = 1/2) states.

  5. Chiroptical Spectroscopy

    NASA Astrophysics Data System (ADS)

    Gurst, Jerome E.

    1995-09-01

    A brief review of the literature, and Chemical and Engineering News in particular, reveals that the determination and use of optical activity is of increasing importance in today's commercial and research laboratories. The classical technique is to measure [alpha]D using a manual or recording polarimeter to provide a single value, the specific rotation at 589 nm. A spectropolarimeter can be used to determine optical activity through the UV-Visible spectrum (Optical Rotatory Dispersion [ORD]). At wavelengths far removed from electronic absorption bands, optical activity arises from circular birefringence, or the difference in the refractive index for left- and right-circularly polarized light; i.e., nL - nR does not equal zero for chiral materials. If the optical activity is measured through an absorption band, complex behavior is observed (a Cotton Effect curve). At an absorption band, chiral materials exhibit circular dichroism (CD), or a difference in the absorption of left- and right-circularly polarized light; epsilon L minus epsilon R does not equal zero. If the spectropolarimeter is set for the measurement of CD spectra, one observes what appears to be a UV-Vis spectrum except that some absorption bands are positive while others may be negative. Just as enantiomers have specific rotations that are equal and opposite at 589 nm (sodium D line), rotations are equal and opposite at all wavelengths, and CD measurements are equal and opposite at all wavelengths. Figure 1 shows the ORD curves for the enantiomeric carvones while Figure 2 contains the CD curves. The enantiomer of carvone that has the positive [alpha]D is obtained from caraway seeds and is known to have the S-configuration while the R-enantiomer is found in spearmint oil. Figure 1. ORD of S-(+)- and R-(-)-carvones Figure 2. CD of S-(+)- and R-(-)-carvones While little can be done to correlate stereochemistry with [alpha]D values, chiroptical spectroscopy (ORD and/or CD) often can be used to assign

  6. An evaluation of least-squares fitting methods in XAFS spectroscopy: iron-based SBA-15 catalyst formulations.

    PubMed

    Huggins, Frank E; Kim, Dae-Jung; Dunn, Brian C; Eyring, Edward M; Huffman, Gerald P

    2009-06-01

    A detailed comparison has been made of determinations by (57)Fe Mössbauer spectroscopy and four different XAFS spectroscopic methods of %Fe as hematite and ferrihydrite in 11 iron-based SBA-15 catalyst formulations. The four XAFS methods consisted of least-squares fitting of iron XANES, d(XANES)/dE, and EXAFS (k(3)chi and k(2)chi) spectra to the corresponding standard spectra of hematite and ferrihydrite. The comparison showed that, for this particular application, the EXAFS methods were superior to the XANES methods in reproducing the results of the benchmark Mössbauer method in large part because the EXAFS spectra of the two iron-oxide standards were much less correlated than the corresponding XANES spectra. Furthermore, the EXAFS and Mössbauer results could be made completely consistent by inclusion of a factor of 1.3+/-0.05 for the ratio of the Mössbauer recoilless fraction of hematite relative to that of ferrihydrite at room temperature (293K). This difference in recoilless fraction is attributed to the nanoparticle nature of the ferrihydrite compared to the bulk nature of the hematite. Also discussed are possible alternative non-least-squares XAFS methods for determining the iron speciation in this application as well as criteria for deciding whether or not least-squares XANES methods should be applied for the determination of element speciation in unknown materials.

  7. An Evaluation of Least-Squares Fitting Methods in XAFS Spectroscopy: Iron-Based SBA-15 Catalyst Formations

    SciTech Connect

    Huggins, F.; Kim, D; Dunn, B; Eyring, E; Huffman, G

    2009-01-01

    A detailed comparison has been made of determinations by {sup 57}Fe M{umlt o}ssbauer spectroscopy and four different XAFS spectroscopic methods of %Fe as hematite and ferrihydrite in 11 iron-based SBA-15 catalyst formulations. The four XAFS methods consisted of least-squares fitting of iron XANES, d(XANES)/dE, and EXAFS (k{sup 3}chi and k{sup 2}chi) spectra to the corresponding standard spectra of hematite and ferrihydrite. The comparison showed that, for this particular application, the EXAFS methods were superior to the XANES methods in reproducing the results of the benchmark M{umlt o}ssbauer method in large part because the EXAFS spectra of the two iron-oxide standards were much less correlated than the corresponding XANES spectra. Furthermore, the EXAFS and M{umlt o}ssbauer results could be made completely consistent by inclusion of a factor of 1.3 {+-} 0.05 for the ratio of the M{umlt o}ssbauer recoilless fraction of hematite relative to that of ferrihydrite at room temperature (293 K). This difference in recoilless fraction is attributed to the nanoparticle nature of the ferrihydrite compared to the bulk nature of the hematite. Also discussed are possible alternative non-least-squares XAFS methods for determining the iron speciation in this application as well as criteria for deciding whether or not least-squares XANES methods should be applied for the determination of element speciation in unknown materials.

  8. Conversion electron Mössbauer spectroscopy studies of the magnetic moment distribution in Fe/V multilayers

    NASA Astrophysics Data System (ADS)

    Kalska, B.; Häggström, L.; Blomquist, P.; Wäppling, R.

    2000-02-01

    The Fe hyperfine field distribution in Fe(x ML)V(y ML) as function of x and y has been determined. The samples were prepared in a ultra-high vacuum sputtering system with 57 Fe as a probe. Low- and high-angle x-ray diffraction and Mössbauer spectroscopy were used to determine the monolayer structure of the samples. The multilayer growth is not layer-by-layer, as found from the magnetic hyperfine field distributions. No Fe magnetic ordering is found above 133 K for multilayers with xicons/Journals/Common/approx" ALT="approx" ALIGN="TOP"/> 3 and yicons/Journals/Common/approx" ALT="approx" ALIGN="TOP"/> 14 in contrast to recently reported antiferromagnetic ordering. The average Fe magnetic moments as deduced from the average magnetic hyperfine fields changes in the sequence 1.2, 1.5, 1.7 to 2.0 µB layerwise in going towards the centre of a 10 ML film of Fe.

  9. Cobalt(II) complexation with small biomolecules as studied by 57Co emission Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Kamnev, Alexander A.; Perfiliev, Yurii D.; Kulikov, Leonid A.; Tugarova, Anna V.; Kovács, Krisztina; Homonnay, Zoltán; Kuzmann, Ernő

    2017-02-01

    In the emission (57Co) variant of Mössbauer spectroscopy (EMS), the 57Co radionuclide (with a half-life of 9 months) is used that undergoes a nuclear decay 57Co → 57Fe via electron capture followed by the emission of a γ-quantum, the energy of which is modified by the chemical state and the close coordination environment of the parent 57Co atom. While EMS has been used largely in materials science and nuclear chemistry, its high sensitivity can also be of great advantage in revealing fine structural features and for speciation analysis of biological complexes, whenever the 57Co2 + cation can be used directly as the coordinating metal or as a substitute for native cobalt or other metal ions. As such EMS applications are yet rare, in order to reliably interpret emission spectra of sophisticated 57Co2 +-doped biosystems, model EMS studies of simple cobalt biocomplexes are necessary. In this work, EMS spectroscopic data are analysed and discussed for 57Co2 + complexes with a range of small biomolecules of different structures, including 4-n-hexylresorcinol, homoserine lactone and a few amino acids (spectra measured in rapidly frozen dilute aqueous solutions or in the dried state at T = 80 K). The EMS data obtained are discussed with regard to the available literature data related to the coordination modes of the biocomplexes under study.

  10. Quantitative determination of the oxidation state of iron in biotite using x-ray photoelectron spectroscopy: II. In situ analyses

    SciTech Connect

    Raeburn, S.P. |; Ilton, E.S.; Veblen, D.R.

    1997-11-01

    X-ray photoelectron spectroscopy (XPS) was used to determine Fe(III)/{Sigma}Fe in individual biotite crystals in thin sections of ten metapelites and one syenite. The in situ XPS analyses of Fe(III)/{Sigma}Fe in biotite crystals in the metapelites were compared with published Fe(III)/{Sigma}Fe values determined by Moessbauer spectroscopy (MS) for mineral separates from the same hand samples. The difference between Fe(III)/{Sigma}Fe by the two techniques was greatest for samples with the lowest Fe(III)/{Sigma}Fe (by MS). For eight metamorphic biotites with Fe(III)/{Sigma}Fe = 9-27% comparison of the two techniques yielded a linear correlation of r = 0.94 and a statistically acceptable fit of [Fe(III)/{Sigma}Fe]{sub xps} = [Fe(III)/{Sigma}Fe]{sub ms}. The difference between Fe(III)/{Sigma}Fe by the two techniques was greater for two samples with Fe(III)/{Sigma}Fe {le} 6% (by MS). For biotite in the syenite sample, Fe(III)/{Sigma}Fe determined by both in situ XPS and bulk wet chemistry/electron probe microanalysis were similar. This contribution demonstrates that XPS can be used to analyze bulk Fe(III)/{Sigma}Fe in minerals in thin sections when appropriate precautions taken to avoid oxidation of the near-surface during preparation of samples. 25 refs., 3 figs., 4 tabs.

  11. Scientific opportunities in nuclear resonance spectroscopy from source-driven revolution.

    SciTech Connect

    Shenoy, G. K.; Rohlsberger, R.; X-Ray Science Division; DESY

    2008-02-01

    From the beginning of its discovery the Moessbauer effect has continued to be one of the most powerful tools with broad applications in diverse areas of science and technology. With the advent of synchrotron radiation sources such as the Advanced Photon Source (APS), the European Synchrotron Radiation Facility (ESRF) and the Super Photon Ring-8 (SPring-8), the tool has enlarged its scope and delivered new capabilities. The popular techniques most generally used in the field of materials physics, chemical physics, geoscience, and biology are hyperfine spectroscopy via elastic nuclear forward scattering (NFS), vibrational spectroscopy via nuclear inelastic scattering (NRIXS), and, to a lesser extent, diffusional dynamics from quasielastic nuclear forward scattering (QNFS). As we look ahead, new storage rings with enhanced brilliance such as PETRA-III under construction at DESY, Hamburg, and PEP-III in its early design stage at SLAC, Stanford, will provide new and unique science opportunities. In the next two decades, x-ray free-electron lasers (XFELs), based both on self-amplified spontaneous emission (SASE-XFELs) and a seed (SXFELs), with unique time structure, coherence and a five to six orders higher average brilliance will truly revolutionize nuclear resonance applications in a major way. This overview is intended to briefly address the unique radiation characteristics of new sources on the horizon and to provide a glimpse of scientific prospects and dreams in the nuclear resonance field from the new radiation sources. We anticipate an expanded nuclear resonance research activity with applications such as spin and phonon mapping of a single nanostructure and their assemblies, interfaces, and surfaces; spin dynamics; nonequilibrium dynamics; photochemical reactions; excited-state spectroscopy; and nonlinear phenomena.

  12. Heterodyne laser spectroscopy system

    DOEpatents

    Wyeth, Richard W.; Paisner, Jeffrey A.; Story, Thomas

    1989-01-01

    A heterodyne laser spectroscopy system utilizes laser heterodyne techniques for purposes of laser isotope separation spectroscopy, vapor diagnostics, processing of precise laser frequency offsets from a reference frequency and the like, and provides spectral analysis of a laser beam.

  13. Heterodyne laser spectroscopy system

    DOEpatents

    Wyeth, Richard W.; Paisner, Jeffrey A.; Story, Thomas

    1990-01-01

    A heterodyne laser spectroscopy system utilizes laser heterodyne techniques for purposes of laser isotope separation spectroscopy, vapor diagnostics, processing of precise laser frequency offsets from a reference frequency, and provides spectral analysis of a laser beam.

  14. Effects of time and temperature of firing on Fe-rich ceramics studied by Mössbauer spectroscopy and two-dimensional 1H-nuclear magnetic resonance relaxometry

    NASA Astrophysics Data System (ADS)

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

    2012-10-01

    The combined effects of firing temperature and soaking time on the microstructure of iron-rich porous ceramics have been studied by 57Fe-Mössbauer spectroscopy and 2D 1H nuclear magnetic resonance (NMR) relaxometry using a single-sided probe. Examining water-saturated ceramics using the relaxation correlation method, where longitudinal (T1) and transverse (T2) relaxation times are measured concurrently, provides information about firing-induced changes in both porosity (related to T1) and magnetic properties (related to T2). Comparing the information obtained from 1H-NMR analyses with that obtained from Mössbauer spectroscopy (which characterizes changes in iron-bearing species) shows that the T1-T2 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 Mössbauer spectroscopy, which requires that the ceramic samples be ground.

  15. Effect of cycled combustion ageing on a cordierite burner plate

    SciTech Connect

    Garcia, Eugenio

    2010-11-15

    A combination of {sup 57}Fe-Moessbauer spectroscopy and X-ray Powder Diffraction analysis has been employed to study modifications in chemical and mechanical stability occurring in a cordierite burner aged under combustion conditions which simulate the working of domestic boilers. Moessbauer study shows that Fe is distributed into the structural sites of the cordierite lattice as Fe{sup 2+} and Fe{sup 3+} ions located mostly at octahedral sites. Ferric oxide impurities, mainly hematite, are also present in the starting cordierite material accounting for {approx_equal}40% of the total iron phases. From Moessbauer and X-ray diffraction data it can be deduced that, under the combustion conditions used, new crystalline phases were formed, some of the substitutional Fe{sup 3+} ions existing in the cordierite lattice were reduced to Fe{sup 2+}, and ferric oxides underwent a sintering process which results in hematite with higher particle size. All these findings were detected in the burner zone located in the proximity of the flame and were related to possible chemical reactions which might explain the observed deterioration of the burner material. Research Highlights: {yields}Depth profile analyses used as a probe to understand changes in refractory structure. {yields}All changes take place in the uppermost surface of the burner, close to the flame. {yields}Reduction to Fe{sup 2+} of substitutional Fe{sup 3+} ions and partial cordierite decomposition. {yields}Heating-cooling cycling induces a sintering of the existing iron oxide particles. {yields}Chemical changes can explain the alterations observed in the material microstructure.

  16. Variable-Temperature Tin-119m Moessbauer Study of the Chlorodimethyltin (IV) Derivatives of L-Cysteine and DL-Penicillamine.

    DTIC Science & Technology

    1981-06-15

    TECHNICAL REPORT No. 31 ("!. Variable-Temperature Tin-119m M0ssbauer Study of the Chlorodimethyltin(IV) Derivatives of L-Cysteine and DL- Penicillamine K...and DL- Penicillamine -6. PERFORMING ORG. REPO’T NUMBER 7. AUTHOR(,) ... /- . CONTRACT OR GRANT NU AUER(,) K olloy an4_J.J./Zuckerman I N,,0 / .4-77-C...Cysteine, Penicillamine , M?5ssbauer spectroscopy, Hydrogen bonding, Variable-Temperature Mbssbauer, Tin 20. ABSTRACT (Continue an reverse side If neceeesty

  17. 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.; hide

    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.

  18. Iron silicide formation at different layers of (Fe/Si)3 multilayered structures determined by conversion electron Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Badía-Romano, L.; Rubín, J.; Magén, C.; Bürgler, D. E.; Bartolomé, J.

    2014-07-01

    The morphology and the quantitative composition of the Fe-Si interface layer forming at each Fe layer of a (Fe/Si)3 multilayer have been determined by means of conversion electron Mössbauer spectroscopy (CEMS) and high-resolution transmission electron microscopy (HRTEM). For the CEMS measurements, each layer was selected by depositing the Mössbauer active 57Fe isotope with 95% enrichment. Samples with Fe layers of nominal thickness dFe = 2.6 nm and Si spacers of dSi = 1.5 nm were prepared by thermal evaporation onto a GaAs(001) substrate with an intermediate Ag(001) buffer layer. HRTEM images showed that Si layers grow amorphous and the epitaxial growth of the Fe is good only for the first deposited layer. The CEMS spectra show that at all Fe/Si and Si/Fe interfaces a paramagnetic c-Fe1-xSi phase is formed, which contains 16% of the nominal Fe deposited in the Fe layer. The bottom Fe layer, which is in contact with the Ag buffer, also contains α-Fe and an Fe1-xSix alloy that cannot be attributed to a single phase. In contrast, the other two layers only comprise an Fe1-xSix alloy with a Si concentration of ≃0.15, but no α-Fe.

  19. Insight into magnetic, ferroelectric and elastic properties of strained BiFeO{sub 3} thin films through Mössbauer spectroscopy

    SciTech Connect

    Agbelele, A.; Jouen, S.; Le Breton, J.-M.; Juraszek, J.; Sando, D.; Infante, I. C.; Dkhil, B.; Carrétéro, C.; Barthélémy, A.; Bibes, M.

    2016-07-25

    We have studied the magnetic order of highly strained (001)-oriented BiFeO{sub 3} (BFO) thin films using {sup 57}Fe Conversion Electron Mössbauer Spectrometry. From 90 K to 620 K the films exhibit a collinear antiferromagnetic structure, in contrast with the cycloidal structure observed in bulk BFO. Moreover, we find that both the planar magnetic anisotropy for compressive strain and out-of-plane anisotropy for tensile strain persist from 90 K up to the Néel temperature (T{sub N}), which itself shows only a weak strain dependence. An analysis of the line asymmetry of the paramagnetic doublet for temperatures above T{sub N} is used to reveal the strain-dependent rotation of the polarization direction, consistent with previous observations. Our results show that the lattice dynamics in BFO films are strongly strain-dependent, offering avenues toward acoustic phonon devices. Finally, we use the versatility of Mössbauer spectroscopy technique to reveal various multi-property features including magnetic states, polarization direction and elastic strain.

  20. Optical properties of nanostructured sol-gel thin films doped with Fe2O3 and their ferromagnetic characterization by Mössbauer spectroscopy.

    PubMed

    Garcia-Macedo, Jorge; Valverde-Aguilar, Guadalupe; Gómez, Raúl W; Pérez-Mazariego, José L; Marquina, Vivianne

    2008-12-01

    Sol-gel thin films containing Fe2o3 were deposited onto glass substrates by the dip-coating method at room temperature. Fe2O3 enriched with the isotope 57Fe was embedded in two kinds of matrices: zinc oxide (ZnO) and silica (SiO2). X-ray diffraction (XRD) was used for morphology and structure determination of the nanostructures and showed that the ZnO exhibit a wurtzite form when the film is annealed at 450 degrees C for 20 min. SiO2 thin films at C16H33PEO20:Fe2O3 = 1:2.7 x 10(-1) molar concentration exhibit a hexagonal nanophase produced by the diblock copolymer Brij58 (C16H33PEO20). Optical absorption and infrared spectroscopy techniques were used to evaluate the optical quality of the films. In order to determine if the Fe2O3 was incorporated into the matrices, room temperature Mössbauer spectra of both samples were obtained. In both cases the hematite spectrum was obtained, corroborating that the incorporation of the Fe2O3 to the matrices was done without chemical reaction whatsoever.

  1. 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.

  2. Vibrational Spectroscopy of Fe(OH)2 at High Pressure: Behavior of the O-H Bond

    SciTech Connect

    Speziale, S; Jeanloz, R; Milner, A; Pasternak, M P; Zaug, J

    2004-11-09

    Infrared and Raman spectra of Fe(OH){sub 2}, ''white rust'', were measured between 7 GPa and 21 GPa at ambient temperature. The frequency of the infrared-active A{sub 2u} and of the Raman-active A1g stretching modes of the O-H group decrease linearly with pressure with slopes of -1.3 {+-} 0.1 cm{sup -1}/GPa and -4.9 {+-} 0.2 cm{sup -1}/GPa, respectively. The peak widths of both the infrared-active and Raman-active modes increase non-linearly with pressure, with a discontinuous increase of in broadening between 10 and 12.5 GPa. The overall broadening of the A{sub 2u} and of the A{sub 1g} stretching modes is approximately four-fold in the examined pressure range. The results of this spectroscopic study are compatible with the trends observed in recent neutron diffraction studies in the isostructural Co(OH){sub 2}. Progressive pressure-induced H disordering could be a viable model to interpret both the broadening of the OH stretching mode and the changes in oxidation state of Fe recently observed by Moessbauer spectroscopy.

  3. A Comparison of Multivariate and Pre-Processing Methods for Quantitative Laser-Induced Breakdown Spectroscopy of Geologic Samples

    NASA Technical Reports Server (NTRS)

    Anderson, R. B.; Morris, R. V.; Clegg, S. M.; Bell, J. F., III; Humphries, S. D.; Wiens, R. C.

    2011-01-01

    The ChemCam instrument selected for the Curiosity rover is capable of remote laser-induced breakdown spectroscopy (LIBS).[1] We used a remote LIBS instrument similar to ChemCam to analyze 197 geologic slab samples and 32 pressed-powder geostandards. The slab samples are well-characterized and have been used to validate the calibration of previous instruments on Mars missions, including CRISM [2], OMEGA [3], the MER Pancam [4], Mini-TES [5], and Moessbauer [6] instruments and the Phoenix SSI [7]. The resulting dataset was used to compare multivariate methods for quantitative LIBS and to determine the effect of grain size on calculations. Three multivariate methods - partial least squares (PLS), multilayer perceptron artificial neural networks (MLP ANNs) and cascade correlation (CC) ANNs - were used to generate models and extract the quantitative composition of unknown samples. PLS can be used to predict one element (PLS1) or multiple elements (PLS2) at a time, as can the neural network methods. Although MLP and CC ANNs were successful in some cases, PLS generally produced the most accurate and precise results.

  4. BATSE spectroscopy analysis system

    NASA Technical Reports Server (NTRS)

    Schaefer, Bradley E.; Bansal, Sandhia; Basu, Anju; Brisco, Phil; Cline, Thomas L.; Friend, Elliott; Laubenthal, Nancy; Panduranga, E. S.; Parkar, Nuru; Rust, Brad

    1992-01-01

    The Burst and Transient Source Experiment (BATSE) Spectroscopy Analysis System (BSAS) is the software system which is the primary tool for the analysis of spectral data from BATSE. As such, Guest Investigators and the community as a whole need to know its basic properties and characteristics. Described here are the characteristics of the BATSE spectroscopy detectors and the BSAS.

  5. 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.

  6. Comparison of Synchrotron MicroXANES Determination of Fe(3+)/Sigma Fe with Moessbauer Values for Clean Mineral Separates of Pyroxene from Martian Meteorites

    NASA Technical Reports Server (NTRS)

    Delaney, J. S.; Dyar, M. D.

    2003-01-01

    The oxidation state of Fe in Martian meteorites is a parameter of great interest and the ability to determine this value in micrometer scale samples is important. Intense, tunable x-ray sources at large synchrotron storage rings are being exploited to examine the Fe K-absorption edge with energy resolution of approx. 1-1.5eV in spots of 10x15 microns on thin sections of a wide variety of materials including several Martian meteorites. Synchrotron microXANES (SmX) spectroscopy is the technique that provides the most flexible capability for investigating Fe(3+)/Sigma Fe. Variation of Fe(3+)/Sigma Fe is manifested as a function of the energy of the pre-edge to the Fe absorption edge produced by the sample. SmX is at present the only technique that can be used with conventional polished thin sections. Data for a broad spectrum of minerals have been produced and indicate that SmX can be used with a large variety of samples types.

  7. Comparison of Synchrotron MicroXANES Determination of Fe(3+)/Sigma Fe with Moessbauer Values for Clean Mineral Separates of Pyroxene from Martian Meteorites

    NASA Technical Reports Server (NTRS)

    Delaney, J. S.; Dyar, M. D.

    2003-01-01

    The oxidation state of Fe in Martian meteorites is a parameter of great interest and the ability to determine this value in micrometer scale samples is important. Intense, tunable x-ray sources at large synchrotron storage rings are being exploited to examine the Fe K-absorption edge with energy resolution of approx. 1-1.5eV in spots of 10x15 microns on thin sections of a wide variety of materials including several Martian meteorites. Synchrotron microXANES (SmX) spectroscopy is the technique that provides the most flexible capability for investigating Fe(3+)/Sigma Fe. Variation of Fe(3+)/Sigma Fe is manifested as a function of the energy of the pre-edge to the Fe absorption edge produced by the sample. SmX is at present the only technique that can be used with conventional polished thin sections. Data for a broad spectrum of minerals have been produced and indicate that SmX can be used with a large variety of samples types.

  8. Spectroscopy - so what?

    NASA Astrophysics Data System (ADS)

    Stanley, Matthew

    2010-01-01

    The development of astronomical spectroscopy allowed amazing achievements in investigating the composition and motion of celestial bodies. But even beyond specific measurements and results, the fruitfulness and practice of spectroscopy had important ramifications on a more abstract level. This paper will discuss ways in which spectroscopy inspired or boosted new theories of the atom, life, and the universe; redrew the boundaries among scientific disciplines; demonstrated the unity of terrestrial and celestial physical laws; changed what counted as scientific knowledge; and even revealed divine mysteries. Scientists and science writers from the first half-century of astronomical spectroscopy will be discussed, including James Clerk Maxwell, William Thomson (Lord Kelvin), John Tyndall, Agnes Clerke, William Huggins, and Norman Lockyer.

  9. Gluons in hadron spectroscopy

    SciTech Connect

    Karl, G.

    1985-06-30

    Current hadron spectroscopy is concerned with quark and glounic degrees of freedom which are imaged from the many meson resonances and their decay mechanisms. Interest in the J/psi and the phi resonances is discussed.

  10. Spectroscopy - so what?

    NASA Astrophysics Data System (ADS)

    Stanley, Matthew

    2010-07-01

    The development of astronomical spectroscopy allowed amazing achievements in investigating the composition and motion of celestial bodies. But even beyond specific measurements and results, the fruitfulness and practice of spectroscopy had important ramifications on a more abstract level. This paper will discuss ways in which spectroscopy inspired or boosted new theories of the atom, life, and the Universe; redrew the boundaries among scientific disciplines; demonstrated the unity of terrestrial and celestial physical laws; changed what counted as scientific knowledge; and even revealed divine mysteries. Scientists and science writers from the first half-century of astronomical spectroscopy will be discussed, including James Clerk Maxwell, William Crookes, John Tyndall, Agnes Clerke, William Huggins and Norman Lockyer.

  11. Beam-foil spectroscopy

    SciTech Connect

    Berry, H.G.; Hass, M.

    1982-01-01

    A brief survey of some applications of beam-foil spectroscopy is presented. Among the topics covered are lifetime and magnetic moment measurements, nuclear alignment, and polarized light production. (AIP)

  12. Science Experimenter: Reflectance Spectroscopy.

    ERIC Educational Resources Information Center

    Mims, Forrest M., III

    1991-01-01

    Provides construction details for a simple reflectometer that can be utilized for the observational technique known as reflectance spectroscopy. Includes background discussion, applications, calibrating techniques, and typical results. (JJK)

  13. Charmonium spectroscopy, 1987

    SciTech Connect

    Cahn, R.N.

    1987-07-30

    The state of charmonium spectroscopy is reviewed. All analyses proceed from a spin-dependent, non-relativistic Schroedinger equation. Many of the possible branching ratios for charm like states are investigated. 17 refs.

  14. EDITORIAL: Nano Meets Spectroscopy Nano Meets Spectroscopy

    NASA Astrophysics Data System (ADS)

    Birch, David J. S.

    2012-08-01

    The multidisciplinary two-day Nano Meets Spectroscopy (NMS) event was held at the National Physical Laboratory (NPL), Teddington, UK, in September 2011. The event was planned from the outset to be at the interface of several areas—in particular, spectroscopy and nanoscience, and to bring together topics and people with different approaches to achieving common goals in biomolecular science. Hence the meeting cut across traditional boundaries and brought together researchers using diverse techniques, particularly fluorescence and Raman spectroscopy. Despite engaging common problems, these techniques are frequently seen as mutually exclusive with the two communities rarely interacting at conferences. The meeting was widely seen to have lived up to its billing in good measure. It attracted the maximum capacity of ~120 participants, including 22 distinguished speakers (9 from outside the UK), over 50 posters and a vibrant corporate exhibition comprising 10 leading instrument companies and IOP Publishing. The organizers were Professor David Birch (Chair), Dr Karen Faulds and Professor Duncan Graham of the University of Strathclyde, Professor Cait MacPhee of the University of Edinburgh and Dr Alex Knight of NPL. The event was sponsored by the European Science Foundation, the Institute of Physics, the Royal Society of Chemistry, NPL and the Scottish Universities Physics Alliance. The full programme and abstracts are available at http://sensor.phys.strath.ac.uk/nms/program.php. The programme was quite ambitious in terms of the breadth and depth of scope. The interdisciplinary and synergistic concept of 'X meets Y' played well, cross-fertilization between different fields often being a source of inspiration and progress. Fluorescence and Raman spectroscopy provided the core, but the meeting had little repetition and also attracted contributions on more specialist techniques such as CARS, super-resolution, single molecule and chiral methods. In terms of application the

  15. Spectroscopy of divertor plasmas

    SciTech Connect

    Isler, R.C.

    1995-12-31

    The requirements for divertor spectroscopy are treated with respect to instrumentation and observations on present machines. Emphasis is placed on quantitative measurements.of impurity concentrations from the interpretation of spectral line intensities. The possible influence of non-Maxwellian electron distributions on spectral line excitation in the divertor is discussed. Finally the use of spectroscopy for determining plasma temperature, density, and flows is examined.

  16. Spectroscopy of D Mesons

    SciTech Connect

    Bianco, Stefano

    2006-02-11

    The scenario of heavy quark meson spectroscopy underwent recently a major revolution, after the observation of BABAR and CLEO, confirmed by BELLE, of DsJ L=1 excited states, and by further evidences by SELEX. These experimental results have cast doubts on the incarnations of the ideas of Heavy Quark Effective Theory in heavy quark spectroscopy. I shall review the status of experimental data, discuss implications and sketch an outlook.

  17. Terrestrial imaging spectroscopy

    NASA Technical Reports Server (NTRS)

    Vane, Gregg; Goetz, Alexander F. H.

    1988-01-01

    Recent advances in imaging spectroscopy for remote sensing applications are discussed, reviewing the results of recent investigations. The advantages offered by the higher spectral resolution of imaging spectroscopy relative to scanners such as Landsat MSS and TM are explained; the design and performance of the Airborne Imaging Spectrometer (Vane et al., 1984) are described and illustrated with drawings, photographs, and sample images; data processing and analysis techniques are outlined; and applications to geological and botanical research are considered.

  18. Electronic Spectroscopy & Dynamics

    SciTech Connect

    Mark Maroncelli, Nancy Ryan Gray

    2010-06-08

    The Gordon Research Conference (GRC) on Electronic Spectroscopy and Dynamics was held at Colby College, Waterville, NH from 07/19/2009 thru 07/24/2009. The Conference was well-attended with participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. The GRC on Electronic Spectroscopy & Dynamics showcases some of the most recent experimental and theoretical developments in electronic spectroscopy that probes the structure and dynamics of isolated molecules, molecules embedded in clusters and condensed phases, and bulk materials. Electronic spectroscopy is an important tool in many fields of research, and this GRC brings together experts having diverse backgrounds in physics, chemistry, biophysics, and materials science, making the meeting an excellent opportunity for the interdisciplinary exchange of ideas and techniques. Topics covered in this GRC include high-resolution spectroscopy, biological molecules in the gas phase, electronic structure theory for excited states, multi-chromophore and single-molecule spectroscopies, and excited state dynamics in chemical and biological systems.

  19. Total X-ray scattering, EXAFS, and Mössbauer spectroscopy analyses of amorphous ferric arsenate and amorphous ferric phosphate

    NASA Astrophysics Data System (ADS)

    Mikutta, Christian; Schröder, Christian; Marc Michel, F.

    2014-09-01

    Amorphous ferric arsenate (AFA, FeAsO4·xH2O) is an important As precipitate in a range of oxic As-rich environments, especially acidic sulfide-bearing mine wastes. Its structure has been proposed to consist of small polymers of single corner-sharing FeO6 octahedra (rFe-Fe ∼3.6 Å) to which arsenate is attached as a monodentate binuclear 2C complex ('chain model'). Here, we analyzed the structure of AFA and analogously prepared amorphous ferric phosphates (AFP, FePO4·xH2O) by a combination of high-energy total X-ray scattering, Fe K-edge X-ray absorption spectroscopy, and 57Fe Mössbauer spectroscopy. Pair distribution function (PDF) analysis of total X-ray scattering data revealed that the coherently scattering domain size of AFA and AFP is about 8 Å. The PDFs of AFA lacked Fe-Fe pair correlations at r ∼3.6 Å indicative of single corner-sharing FeO6 octahedra, which strongly supports a local scorodite (FeAsO4·2H2O) structure. Likewise, the PDFs and Fe K-edge extended X-ray absorption fine structure data of AFP were consistent with a local strengite (FePO4·2H2O) structure of isolated FeO6 octahedra being corner-linked to PO4 tetrahedra (rFe-P = 3.25(1) Å). Mössbauer spectroscopy analyses of AFA and AFP indicated a strong superparamagnetism. While AFA only showed a weak onset of magnetic hyperfine splitting at 5 K, magnetic ordering of AFP was completely absent at this temperature. Mössbauer spectroscopy may thus offer a convenient way to identify and quantify AFA and AFP in mineral mixtures containing poorly crystalline Fe(III)-oxyhydroxides. In summary, our results imply a close structural relationship between AFA and AFP and suggest that these amorphous materials serve as templates for the formation of scorodite and strengite (phosphosiderite) in strongly acidic low-temperature environments.

  20. EPR and Mössbauer Spectroscopy, and DFT Analysis of a High-Spin FeIV-oxo Complex

    PubMed Central

    Gupta, Rupal; Lacy, David C.; Bominaar, Emile L.; Borovik, Andrew. S.; Hendrich, Michael P.

    2013-01-01

    The kinetically competent oxidant in non-heme iron enzymes is a high-spin FeIV-oxo species, which are not as well characterized as the intermediate-spin species of heme systems. The present work gives a detailed characterization of the structurally similar [FeIVH3buea(O)]-, [FeIIIH3buea(O)]2- and [FeIIIH3buea(OH)]- (H3buea = tris[(N'-tert-butylureaylato)-N-ethylene]aminato) complexes using Mössbauer and dual-frequency/dual-mode electron paramagnetic resonance (EPR) spectroscopies. The [FeIVH3buea(O)]- complex has a high-spin (S = 2) configuration imposed from the C3-symmetric ligand. EPR spectroscopy of the [FeIVH3buea(O)]- complex is the first documented example of an EPR signal from an FeIV-oxo complex, demonstrating the ability to detect and quantify FeIV species with EPR spectroscopy. Quantitative simulations allowed determination of the zero-field parameter, D = +4.7 cm-1, and the species concentration. Density functional theory calculations of the zero-field parameter are found to be in agreement with the experimental value and indicate the major contribution to the D-value is from spin–orbit coupling of the ground state with an excited S = 1 electronic configuration at 1.2 eV. 17O isotope enrichment experiments allowed a determination of the hyperfine constant 170Az = 10 MHz for [FeIVH3buea(O)]- and 170Ay = 8 MHz, 170Az = 12 MHz for [FeIIIH3buea(OH)]-. The isotropic hyperfine constant (170Aiso = -16.8 MHz) was derived from the experimental value to allow a quantitative determination of the spin polarization (ρp = 0.56) of the oxo p-orbitals of the Fe-oxo bond in [FeIVH3buea(O)]-. This is the first experimental determination for non-heme complexes, and indicates significant covalency in the Fe-oxo bond. High-field Mössbauer spectroscopy gave an 57Fe Adip tensor of (+5.6, +5.3, -10.9) MHz and Aiso = -25.9 MHz for the [FeIVH3buea(O)]- complex, and DFT calculations are in agreement with the nuclear parameters of the complex. PMID:22574962

  1. Probing magnetic transitions in (Mg,Fe)GeO3-perovskite with Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Wicks, J. K.; Tracy, S. J.; Stan, C. V.; Bi, W.; Alp, E. E.; Xiao, Y.; Chow, P.; Duffy, T. S.

    2016-12-01

    The effect of iron on the properties of major lower mantle minerals must be understood for proper interpretation of seismic and geodynamic data. The role of Fe in bridgmanite in the deep earth is complicated as Fe can occupy two different crystallographic sites (8-fold site or octahedral site) and adopt different valence states (2+,3+) and electronic configurations (high or low spin). Previous experimental and theoretical work on this material has reported a pressure-induced low- to high-QS (quadrupole splitting) transition at 30 GPa, explained by a small lateral displacement of the Fe2+ ion (e.g. Jackson et al., 2005, Hsu et al., 2010). Further insight into the nature of this transition can be obtained through the study of germanates which are well-known to be effective analogues for silicates. The perovskite (Pv) to post-perovskite (pPv) transition is reduced by 50 GPa in MgGeO3 compared with MgSiO3. Despite this, a recent theoretical study predicts that in the Ge analogue the low- to high-QS transition should be 20 GPa higher in the germanate due to its larger unit cell (Shukla et al., 2015). 57Fe-enriched (Mg0.8Fe0.2)GeO3 perovskite was synthesized at 40 GPa with laser heating at Sector 13-ID-D, as confirmed with X-ray diffraction. Conventional and synchrotron Mössbauer spectroscopy was conducted at Sector 3 and Sector 16 of the Advanced Photon source, Argonne National Laboratory over the stability field of germanate perovskite: 39-61 GPa. This study took advantage of the new capability of synchrotron Mössbauer spectroscopy conducted during the APS operations in hybrid mode, which expanded the experimental time window from 150 to 800 ns. Preliminary analysis indicates that iron is predominately Fe2+ with some Fe3+ contribution at low pressure. With increasing pressure, we find the appearance of a third high-QS site, consistent with similar observations in the silicate. Our results provide new insights into high-pressure behavior of Fe in perovskite

  2. Mössbauer spectroscopy and X-ray fluorescence studies on sediments from the methanic zone of the Helgoland mud area, North Sea

    NASA Astrophysics Data System (ADS)

    Costa, B. F. O.; Blumers, M.; Shylin, S. I.; Ksenofontov, V.; Oni, O.; Kasten, S.; Fischer, D.; Wagenknecht, L.; Kulkarni, A.; Friedrich, M. W.; Klingelhöfer, G.

    2016-12-01

    57Fe Mössbauer spectroscopy (MS) and X-ray fluorescence spectroscopy (XRF) were used to determine the identity of iron(III) oxides in surface (top 30 cm ) and subsurface (> 30 cm - 500 cm)sediments from the Helgoland mud area in the German Bight of the North Sea. A 500 cm-long sediment core was cut in 25cm sections while only the top 10 cm of a 30 cm-long sediment core was sampled. Using a MIMOS spectrometer, MS spectra were recorded at 293K (RT) in backscattering geometry. At 80K and 5.5K, MS analysis was carried out in transmission geometry. At RT and 80K only illite was observed, but at 5.5K lepidocrocite was revealed in the MS spectra. The relation between Fe(III) and Fe(II) doublets of illite did not significantly vary with depth, but the relative amount of lepidocrocite increased with depth reaching about 24 % of iron phases, as revealed by MS. XRF measurements showed that the amount of Fe in the sediments varied with depth but was always less than 4 % of total elemental composition. The main component of the sediment was silica and its depth profile alternated with those of other elements, especially aluminium and iron. It was observed that elevated concentrations of dissolved iron in the subsurface sediment of the Helgoland mud area correlated with the depth-wise distribution of distinct microbial populations presumably due to microbial reduction of excess bioavailable iron minerals such as lepidocrocite. These results are thus, important in the context of microbe-mineral interactions in marine sediments as iron oxides are an electron acceptor for microbial anaerobic respiration.

  3. Holographic tissue dynamics spectroscopy.

    PubMed

    Nolte, David D; An, Ran; Turek, John; Jeong, Kwan

    2011-08-01

    Tissue dynamics spectroscopy uses digital holography as a coherence gate to extract depth-resolved quasi-elastic dynamic light scattering from inside multicellular tumor spheroids. The temporal speckle contrast provides endogenous dynamical images of proliferating and hypoxic or necrotic tissues. Fluctuation spectroscopy similar to diffusing wave spectroscopy is performed on the dynamic speckle to generate tissue-response spectrograms that track time-resolved changes in intracellular motility in response to environmental perturbations. The spectrograms consist of several frequency bands that range from 0.005 to 5 Hz. The fluctuation spectral density and temporal autocorrelations show the signature of constrained anomalous diffusion, but with large fluctuation amplitudes caused by active processes far from equilibrium. Differences in the tissue-response spectrograms between the proliferating outer shell and the hypoxic inner core differentiate normal from starved conditions. The differential spectrograms provide an initial library of tissue-response signatures to environmental conditions of temperature, osmolarity, pH, and serum growth factors.

  4. Holographic tissue dynamics spectroscopy

    NASA Astrophysics Data System (ADS)

    Nolte, David D.; An, Ran; Turek, John; Jeong, Kwan

    2011-08-01

    Tissue dynamics spectroscopy uses digital holography as a coherence gate to extract depth-resolved quasi-elastic dynamic light scattering from inside multicellular tumor spheroids. The temporal speckle contrast provides endogenous dynamical images of proliferating and hypoxic or necrotic tissues. Fluctuation spectroscopy similar to diffusing wave spectroscopy is performed on the dynamic speckle to generate tissue-response spectrograms that track time-resolved changes in intracellular motility in response to environmental perturbations. The spectrograms consist of several frequency bands that range from 0.005 to 5 Hz. The fluctuation spectral density and temporal autocorrelations show the signature of constrained anomalous diffusion, but with large fluctuation amplitudes caused by active processes far from equilibrium. Differences in the tissue-response spectrograms between the proliferating outer shell and the hypoxic inner core differentiate normal from starved conditions. The differential spectrograms provide an initial library of tissue-response signatures to environmental conditions of temperature, osmolarity, pH, and serum growth factors.

  5. Spectroscopy for the Masses

    NASA Astrophysics Data System (ADS)

    Le Roy, Robert J.; Hopkins, Scott; Power, William P.; Leung, Tong; Hepburn, John

    2015-06-01

    Undergraduate students in all areas of science encounter one or more types of spectroscopy as an essential tool in their discipline, but most never take the advanced physics or chemistry courses in which the subject is normally taught. To address this problem, for over 20 years our department has been teaching a popular Introductory Spectroscopy course that assumes as background only a one-term introductory chemistry course containing a unit on atomic theory, and a familiarity with rudimentary calculus. This survey course provides an introduction to microwave, infrared, Raman, electronic, photoelectron and NMR spectroscopy in a manner that allows students to understand many of these phenomena as intuitive generalizations of the problem of a particle in a 1-D box or a particle-on-a-ring, and does not require any high level mathematics.

  6. 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.

  7. Practical Amateur Spectroscopy

    NASA Astrophysics Data System (ADS)

    Tonkin, Stephen F.

    Because today's amateur astronomical telescopes are both powerful and affordable, spectroscopy - once the province of professionals - is becoming more and more popular. Various spectroscopes, at prices to suit everyone, are now available "off the shelf". Practical Amateur Spectroscopy contains everything an amateur needs to grasp the basic principles, to begin observing, and to understand just what the spectra show. Contributions by leading practical amateurs from America and Europe cover a very wide range of amateur equipment and techniques. One even describes how an audio CD can be used to show solar emission and absorption lines!

  8. Spectroscopy of francium

    SciTech Connect

    Simsarian, J. E.; Grossman, J. S.; Orozco, L. A.; Pearson, M.; Sprouse, G. D.; Zhao, W. Z.

    1999-01-15

    Francium is the least studied of the alkali atoms because it has no stable isotopes. We have performed precision spectroscopy on cold Fr atoms in a magneto optical trap. We have determined the location of the first two excited states of the S series by two-photon spectroscopy. We have measured the lifetimes of the 7p levels with a precision better than 0.5%. Our measurements test the many-body perturbation theory ab initio calculations of the dipole matrix element to very high accuracy in this relativistic alkali.

  9. Infrared spectroscopy of stars

    NASA Technical Reports Server (NTRS)

    Merrill, K. M.; Ridgway, S. T.

    1979-01-01

    This paper reviews applications of IR techniques in stellar classification, studies of stellar photospheres, elemental and isotopic abundances, and the nature of remnant and ejected matter in near-circumstellar regions. Qualitative IR spectral classification of cool and hot stars is discussed, along with IR spectra of peculiar composite star systems and of obscured stars, and IR characteristics of stellar populations. The use of IR spectroscopy in theoretical modeling of stellar atmospheres is examined, IR indicators of stellar atmospheric composition are described, and contributions of IR spectroscopy to the study of stellar recycling of interstellar matter are summarized. The future of IR astronomy is also considered.

  10. Terrestrial-Imaging Spectroscopy

    NASA Technical Reports Server (NTRS)

    Vane, Gregg A.; Goetz, Alexander F. H.

    1990-01-01

    Report reviews history and state of art of terrestrial imaging spectroscopy. Discusses history, design, and performance of Airborne Imaging Spectrometer (AIS), which is pioneering sensor for terrestrial high-resolution remote sensing. Also discusses recent developments described in literature of imaging spectroscopy from three points of view: techniques for handling and analysis of spectral-image data, geological research, and botanical research. This field encompasses use of airborne and spaceborne imaging spectrometers to generate specialized maps for use in agriculture, geology, ecology, and related disciplines.

  11. Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Dickson, Dominic P. E.; Berry, Frank J.

    1986-12-01

    Preface; 1. Principles of Mössbauer spectroscopy Dominic P. E. Dickson and Frank J. Berry; 2. Mössbauer spectroscopy and the chemical bond R. V. Parish; 3. Mössbauer spectroscopy as a structural probe Gary J. Long; 4. Mössbauer spectroscopy of magnetic solids M. F. Thomas and C. E. Johnson; 5. Time-dependent effects and relaxation in Mössbauer spectroscopy S. Dattagupta; 6. The dynamics of nuclei studied by Mössbauer spectroscopy E. R. Bauminger and I. Nowik; References; Index.

  12. Advanced Spectroscopy Technique for Biomedicine

    NASA Astrophysics Data System (ADS)

    Zhao, Jianhua; Zeng, Haishan

    This chapter presents an overview of the applications of optical spectroscopy in biomedicine. We focus on the optical design aspects of advanced biomedical spectroscopy systems, Raman spectroscopy system in particular. Detailed components and system integration are provided. As examples, two real-time in vivo Raman spectroscopy systems, one for skin cancer detection and the other for endoscopic lung cancer detection, and an in vivo confocal Raman spectroscopy system for skin assessment are presented. The applications of Raman spectroscopy in cancer diagnosis of the skin, lung, colon, oral cavity, gastrointestinal tract, breast, and cervix are summarized.

  13. 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

    2012-04-04

    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.

  14. Spectroscopy with Supersonic Jets.

    ERIC Educational Resources Information Center

    Skinner, Anne R.; Chandler, Dean W.

    1980-01-01

    Discusses a new technique that enables spectroscopists to study gas phase molecules at temperatures below 1 K, without traditional cryogenic apparatus. This technique uses supersonic jets as samples for gas molecular spectroscopy. Highlighted are points in the theory of supersonic flow which are important for applications in molecular…

  15. Lasers for Frontier Spectroscopy

    NASA Astrophysics Data System (ADS)

    Baldacchini, Giuseppe

    The first laser has been invented in 1960 by using the red light from a ruby crystal, and since then the laser field exploded almost exponentially, and thousands of different materials, in the state of solids, liquids, vapors, gases, plasmas, and elementary particles have lased up to now from less than I Å to more than 1 mm. Many of them have been used with outstanding results both in basic science, and in industrial and commercial applications, by changing for ever the same lifestyle of humankind. As far as spectroscopy is concerned, the laser light has started an unprecedented revolution because of its unique properties as monochromaticity, coherence, power, brightness and short-pulse regime, unrivaled by any other natural and artificial light source. Spectroscopy applications increased qualitatively and quantitatively with the laser sources themselves, and they are still proceeding in parallel with the moving of the laser field towards new territories. Apart the opening up of new regions of the electromagnetic spectrum, like the terahertz gap, and the outstanding increase of the output power which is giving rise to completely new spectroscopic effects, the improvement of laser sources and auxiliary equipment is producing a growth of traditional laser spectroscopy with superior resolution and sensitivity. Moreover, spectroscopic techniques and laser light contributed to the development of new chemical and physical processes which have been used to fabricate photonic materials with new spectroscopic properties enriching the laser field itself, in a virtuous cycle spectroscopy→aser→material and back to spectroscopy with no end in sight.

  16. FTIR Rotational Spectroscopy.

    ERIC Educational Resources Information Center

    Woods, Ron; Henderson, Giles

    1987-01-01

    Presented are representative examples of the spectra and the analyses for a linear molecule (HC1), a symmetric top molecule (NH3), and an asymmetric top (H2O). Any combination of these projects could be incorporated in a physical chemistry or molecular spectroscopy laboratory. (RH)

  17. Spectroscopy with Supersonic Jets.

    ERIC Educational Resources Information Center

    Skinner, Anne R.; Chandler, Dean W.

    1980-01-01

    Discusses a new technique that enables spectroscopists to study gas phase molecules at temperatures below 1 K, without traditional cryogenic apparatus. This technique uses supersonic jets as samples for gas molecular spectroscopy. Highlighted are points in the theory of supersonic flow which are important for applications in molecular…

  18. Simple Spectroscopy Reductions

    NASA Astrophysics Data System (ADS)

    Clayton, Martin; Holloway, Anthony

    This Cookbook describes the basic concepts and methods used in optical astronomical spectroscopy; it is aimed at those new to the field. Complete worked example reductions for both one- and two-dimensional longslit spectra, using real datasets, are described. Common problems and their solutions are discussed. A section on related resources is included, as is a glossary of commonly used terms.

  19. Broadband Rotational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Pate, Brooks

    2014-06-01

    The past decade has seen several major technology advances in electronics operating at microwave frequencies making it possible to develop a new generation of spectrometers for molecular rotational spectroscopy. High-speed digital electronics, both arbitrary waveform generators and digitizers, continue on a Moore's Law-like development cycle that started around 1993 with device bandwidth doubling about every 36 months. These enabling technologies were the key to designing chirped-pulse Fourier transform microwave (CP-FTMW) spectrometers which offer significant sensitivity enhancements for broadband spectrum acquisition in molecular rotational spectroscopy. A special feature of the chirped-pulse spectrometer design is that it is easily implemented at low frequency (below 8 GHz) where Balle-Flygare type spectrometers with Fabry-Perot cavity designs become technologically challenging due to the mirror size requirements. The capabilities of CP-FTMW spectrometers for studies of molecular structure will be illustrated by the collaborative research effort we have been a part of to determine the structures of water clusters - a project which has identified clusters up to the pentadecamer. A second technology trend that impacts molecular rotational spectroscopy is the development of high power, solid state sources in the mm-wave/THz regions. Results from the field of mm-wave chirped-pulse Fourier transform spectroscopy will be described with an emphasis on new problems in chemical dynamics and analytical chemistry that these methods can tackle. The third (and potentially most important) technological trend is the reduction of microwave components to chip level using monolithic microwave integrated circuits (MMIC) - a technology driven by an enormous mass market in communications. Some recent advances in rotational spectrometer designs that incorporate low-cost components will be highlighted. The challenge to the high-resolution spectroscopy community - as posed by Frank De

  20. Photothermal deflection spectroscopy and detection

    SciTech Connect

    Jackson, W. B.; Amer, Nabil M.; Boccara, A. C.; Fournier, D.

    1981-04-15

    The theory for a sensitive spectroscopy based on the photothermal deflection of a laser beam is developed. We consider cw and pulsed cases of both transverse and collinear photothermal deflection spectroscopy for solids, liquids, gases, and thin films. The predictions of the theory are experimentally verified, its implications for imaging and microscopy are given, and the sources of noise are analyzed. The sensitivity and versatility of photothermal deflection spectroscopy are compared with thermal lensing and photoacoustic spectroscopy.

  1. Charm and Charm Spectroscopy

    SciTech Connect

    Santoro, Valentina; /Ferrara U.

    2011-11-23

    Recent developements in D mixing physics and charm spectroscopy will be discussed. Focus will be on the BaBar experimental results for the D mixing: first evidence of the D{sup 0}-mixing (hadronic D{sup 0} decays), lifetime difference and time-dependent Dalitz plot analysis of D{sup 0} {yields} K{sup +}{pi}{sup -}{pi}{sup 0}. Then, recent results on charm spectroscopy will be presented with particular focus on the new Ds states that have been discovered in the last few years. Some of these states were not expected theoretically: their masses, widths, quantum numbers, and decay modes do not fit the existing spectroscopic classication, which is based mostly on potential model calculations.

  2. Precision Muonium Spectroscopy

    NASA Astrophysics Data System (ADS)

    Jungmann, Klaus P.

    2016-09-01

    The muonium atom is the purely leptonic bound state of a positive muon and an electron. It has a lifetime of 2.2 µs. The absence of any known internal structure provides for precision experiments to test fundamental physics theories and to determine accurate values of fundamental constants. In particular ground state hyperfine structure transitions can be measured by microwave spectroscopy to deliver the muon magnetic moment. The frequency of the 1s-2s transition in the hydrogen-like atom can be determined with laser spectroscopy to obtain the muon mass. With such measurements fundamental physical interactions, in particular quantum electrodynamics, can also be tested at highest precision. The results are important input parameters for experiments on the muon magnetic anomaly. The simplicity of the atom enables further precise experiments, such as a search for muonium-antimuonium conversion for testing charged lepton number conservation and searches for possible antigravity of muons and dark matter.

  3. Basic Principles of Spectroscopy

    NASA Astrophysics Data System (ADS)

    Penner, Michael H.

    Spectroscopy deals with the production, measurement, and interpretation of spectra arising from the interaction of electromagnetic radiation with matter. There are many different spectroscopic methods available for solving a wide range of analytical problems. The methods differ with respect to the species to be analyzed (such as molecular or atomic spectroscopy), the type of radiation-matter interaction to be monitored (such as absorption, emission, or diffraction), and the region of the electromagnetic spectrum used in the analysis. Spectroscopic methods are very informative and widely used for both quantitative and qualitative analyses. Spectroscopic methods based on the absorption or emission of radiation in the ultraviolet (UV), visible (Vis), infrared (IR), and radio (nuclear magnetic resonance, NMR) frequency ranges are most commonly encountered in traditional food analysis laboratories. Each of these methods is distinct in that it monitors different types of molecular or atomic transitions. The basis of these transitions is explained in the following sections.

  4. Optical spectroscopies diagnose cancer

    NASA Astrophysics Data System (ADS)

    Alfano, Robert R.; Das, Bidyut B.; Glassman, Wenling S.; Pradhan, Asima; Tang, Gui C.

    1992-02-01

    Today's medical professional is looking beyond the conventional procedures of X-rays, nuclear radiation, magnetic resonance, chemical analysis, and ultrasound to diagnose diseases ranging from cancer to heart ailments. In view of the possible dangerous side effects of X-rays and nuclear radiation, a need exists for novel techniques in disease detection that can either eliminate or reduce their use in examinations. For more than half a century, fluorescence, absorption, and light scattering spectroscopies have been widely used as probes to acquire fundamental knowledge about various physical, chemical, and biological processes. Light may offer alternatives to X-rays and nuclear approaches, and in some cases is non-invasive. Optical spectroscopy and laser technology may offer techniques for the detection and characterization of physical and chemical changes that occur in diseased tissue on a microscopic level.

  5. High resolution hypernuclear spectroscopy

    SciTech Connect

    F. Garibaldi

    2005-02-01

    Hypernuclear spectroscopy provides fundamental information for understanding the effective ?-Nucleon interaction. Jefferson Laboratory experiment E94-107 was designed to perform high resolution hypernuclear spectroscopy by electroproduction of strangeness in four 1p-shell nuclei: 12C, 9Be, 16O, and 7Li. The first part of the experiment on 12C and 9Be has been performed in January and April-May 2004 in Hall A at Jefferson Lab. Significant modifications were made to the standard Hall A apparatus for this challenging experiment: two septum magnets and a RICH detector have been added to get reasonable counting rates and excellent particle identification, as required for the experiment. A description of the apparatus and the preliminary analysis results are presented here.

  6. BATSE spectroscopy detector calibration

    NASA Technical Reports Server (NTRS)

    Band, D.; Ford, L.; Matteson, J.; Lestrade, J. P.; Teegarden, B.; Schaefer, B.; Cline, T.; Briggs, M.; Paciesas, W.; Pendleton, G.

    1992-01-01

    We describe the channel-to-energy calibration of the Spectroscopy Detectors of the Burst and Transient Source Experiment (BATSE) on the Compton Gamma Ray Observatory (GRO). These detectors consist of NaI(TI) crystals viewed by photomultiplier tubes whose output in turn is measured by a pulse height analyzer. The calibration of these detectors has been complicated by frequent gain changes and by nonlinearities specific to the BATSE detectors. Nonlinearities in the light output from the NaI crystal and in the pulse height analyzer are shifted relative to each other by changes in the gain of the photomultiplier tube. We present the analytical model which is the basis of our calibration methodology, and outline how the empirical coefficients in this approach were determined. We also describe the complications peculiar to the Spectroscopy Detectors, and how our understanding of the detectors' operation led us to a solution to these problems.

  7. Inelastic electron tunneling spectroscopy

    NASA Technical Reports Server (NTRS)

    Khanna, S. K.; Lambe, J.

    1983-01-01

    Inelastic electron tunneling spectroscopy is a useful technique for the study of vibrational modes of molecules adsorbed on the surface of oxide layers in a metal-insulator-metal tunnel junction. The technique involves studying the effects of adsorbed molecules on the tunneling spectrum of such junctions. The data give useful information about the structure, bonding, and orientation of adsorbed molecules. One of the major advantages of inelastic electron tunneling spectroscopy is its sensitivity. It is capable of detecting on the order of 10 to the 10th molecules (a fraction of a monolayer) on a 1 sq mm junction. It has been successfully used in studies of catalysis, biology, trace impurity detection, and electronic excitations. Because of its high sensitivity, this technique shows great promise in the area of solid-state electronic chemical sensing.

  8. Plasma Spectroscopy in ISTTOK

    NASA Astrophysics Data System (ADS)

    Figueiredo, J.; Gomes, R. B.; Pereira, T.; Fernandes, H.; Sharakovski, A.

    2008-04-01

    Plasma spectroscopy is a well established technique for impurities study in fusion plasmas. A brief description of the several spectroscopic systems which have been in operation at ISTTOK is given. In ISTTOK a passive spectroscopy diagnostic system is being used to perform spectral and spatial characterization in the 300-850 nm wavelength range. The system used to perform that work consist essentially of a cooled CCD camera coupled to a half a meter imaging spectrograph with collection optics based on a multi-fiber set to allow for enhanced spatial resolution. Experimental data is shown underlining typical plasma fusion spectral lines and specific ISTTOK characteristics. A web based data access tool is presented that allows the spectral plasma survey in specific wavelength ranges. The information provided by this survey has been used to select suitable transmission filters for a diagnostic, currently under development, to measure Zeff parameter for ISTTOK plasmas. A description of this diagnostic is also presented.

  9. Chiral rotational spectroscopy

    NASA Astrophysics Data System (ADS)

    Cameron, Robert P.; Götte, Jörg B.; Barnett, Stephen M.

    2016-09-01

    We introduce chiral rotational spectroscopy, a technique that enables the determination of the orientated optical activity pseudotensor components BX X, BY Y, and BZ Z of chiral molecules, in a manner that reveals the enantiomeric constitution of a sample and provides an incisive signal even for a racemate. Chiral rotational spectroscopy could find particular use in the analysis of molecules that are chiral solely by virtue of their isotopic constitution and molecules with multiple chiral centers. A basic design for a chiral rotational spectrometer together with a model of its functionality is given. Our proposed technique offers the more familiar polarizability components αX X, αY Y, and αZ Z as by-products, which could see it find use even for achiral molecules.

  10. Raman spectroscopy in astrobiology.

    PubMed

    Jorge Villar, Susana E; Edwards, Howell G M

    2006-01-01

    Raman spectroscopy is proposed as a valuable analytical technique for planetary exploration because it is sensitive to organic and inorganic compounds and able to unambiguously identify key spectral markers in a mixture of biological and geological components; furthermore, sample manipulation is not required and any size of sample can be studied without chemical or mechanical pretreatment. NASA and ESA are considering the adoption of miniaturised Raman spectrometers for inclusion in suites of analytical instrumentation to be placed on robotic landers on Mars in the near future to search for extinct or extant life signals. In this paper we review the advantages and limitations of Raman spectroscopy for the analysis of complex specimens with relevance to the detection of bio- and geomarkers in extremophilic organisms which are considered to be terrestrial analogues of possible extraterrestial life that could have developed on planetary surfaces.

  11. Coastal Imaging Spectroscopy

    DTIC Science & Technology

    2016-06-07

    hyperspectral remote sensing data at the signal-to- noise level necessary for coastal ocean imaging spectroscopy [5]. This effort has led to a Report...were correlated with the zenith angle of the sun. It was speculated that the errors were caused by a reflection of light from within the cabin off...Muller-Karger, How precise are SeaWiFS ocean color estimates? Implications of digitization- noise errors. Remote Sensing of Environment [Remote Sens

  12. Dielectric spectroscopy of polyaniline

    SciTech Connect

    Calleja, R.D.; Matveeva, E.M.

    1993-12-31

    Polyaniline films (PANI) are being considered as attractive new galvanic sources, electrochromic displays, chemical sensors, etc. So far much work has been done to study their optical, electrochemical and electrical properties. However, there are still doubts about the basic electric conductivity mechanisms of PANI. The aim of this paper is to study the influence of water molecules and acid anions on the properties of PANI films by dielectric spectroscopy.

  13. Optical imaging spectroscopy

    NASA Technical Reports Server (NTRS)

    Canfield, R. C.

    1986-01-01

    During the recent solar maximum the combination of imaging and spectroscopy in the visible part of the spectrum became a powerful tool for observational study of flares primarily because of the development of two-dimensional charge-coupled-device (CCD) arrays. In combination with appropriate new operational methods, this has led to the ability to observe, for the first time, the preflare and impulsive-phase physical processes associated with spatially resolved features of flare loops. As a result of concurrent theoretical developments, modeling progressed from an empirical to a physical level. This made it possible to interpret imaging spectra in terms of coronal pressure and heat flux, particle beam heating, chromospheric evaporation, and explosive chromospheric dynamics at the footpoints of flare loops. There is clear potential for further advances in the near future, taking advantage of improvements in digital recording speed (approx. 10-fold), number of photosensitive elements per array (approx. 10-fold), real-time data pre-reduction (potentially 10- to 100-fold), and using multiple CCD arrays. By the time of the next solar maximum imaging spectroscopy is expected to achieve spatial resolution or approx. arc 1 arc s, temporal resolution or approx. 5 s, and simultaneous critically-sampled spectroscopy of several lines and continua. As a result, continued increase in our understanding of the physical processes and configurations of solar flares in the chromosphere, temperature minimum region, and photosphere can be anticipated. Even greater progress toward a more global understanding of flares will obviously come about when simultaneous optical, X-ray, and gamma-ray imaging spectroscopy are possible.

  14. 2008 Vibrational Spectroscopy

    SciTech Connect

    Philip J. Reid

    2009-09-21

    The conference focuses on using vibrational spectroscopy to probe structure and dynamics of molecules in gases, liquids, and interfaces. The goal is to bring together a collection of researchers who share common interests and who will gain from discussing work at the forefront of several connected areas. The intent is to emphasize the insights and understanding that studies of vibrations provide about a variety of systems.

  15. Coherent spectroscopy of semiconductors.

    PubMed

    Cundiff, Steven T

    2008-03-31

    The coherent optical response of semiconductors has been the subject of substantial research over the last couple of decades. The interest has been motivated by unique aspects of the interaction between light and semiconductors that are revealed by coherent techniques. The ability to probe the dynamics of charge carriers has been a significant driver. This paper presents a review of selected results in coherent optical spectroscopy of semiconductors.

  16. Theory and spectroscopy

    NASA Astrophysics Data System (ADS)

    Stanton, John F.

    2015-05-01

    The interaction between quantum-mechanical theory and spectroscopy is one of the most fertile interfaces in all of science, and has a richly storied history. Of course it was spectroscopy that provided essentially all of the evidence that not all was well (or, perhaps more correctly put, complete) with the world of 19th century classical physics. From the discoveries of the dark lines in the solar spectrum by Fraunhöfer in 1814 to the curiously simple geometric formula discovered seventy years later that described the hydrogen atom spectrum, spectroscopy and spectroscopists have consistently identified the areas of atomic and molecular science that are most in need of hard thinking by theoreticians. The rest of the story, of course, is well-known: spectroscopic results were used to understand and motivate the theory of radioactivity and ultimately the quantum theory, first in its immature form that was roughly contemporaneous with the first World War, and then the Heisenberg-Schrödinger-Dirac version that has withstood the test of time. Since the basic principles of quantum mechanics ware first understood, the subject has been successfully used to understand the patterns found in spectra, and how these relate to molecular structure, symmetry, energy levels, and dynamics. But further understanding required to attain these intellectual achievements has often come only as a result of vital and productive interactions between theoreticians and spectroscopists (of course, many people have strengths in both areas). And indeed, a field that might be termed "theoretical spectroscopy" was cultivated and is now an important part of modern molecular science.

  17. Nuclear Magnetic Resonance Spectroscopy

    DTIC Science & Technology

    1992-04-23

    Belousov - Zhabotinsky reaction (Ti). SENos i CIL-ucal aspects of maging and spatially-localized spectroscopy a are outside the scope of this review, but...catalysts. High-temperature catalytic reactions are being simulated in NMR probes so that reaction mechanisms may I__ SEN2 is be elucidated. NMIR studies...14 investigate the reaction mechanisms of various catalytic 21 processes.PARIIT SENN I NMR analysis has also made remarkable contributions to to the

  18. $B$ spectroscopy at Tevatron

    SciTech Connect

    Kravchenko, I.

    2006-05-01

    Recent results on heavy flavor spectroscopy from the CDF and D0 experiments are reported in this contribution. Using up to 1 fb{sup -1} of accumulated luminosity per experiment, properties of X(3872), excited B** states, and the B{sub c} meson are measured. Also included are measurements of production rates for ground state b hadrons in p{bar p} collisions.

  19. The spectroscopy of Venus

    NASA Technical Reports Server (NTRS)

    Beer, R.

    1982-01-01

    Problems in the spectroscopy of the planet are discussed. Two major problems are focused on: the almost total domination of the spectrum by CO2 (including almost every conceivable isotropic combination) makes the search for other species difficult; and the knowledge that no wavelengths short of the the microwave penetrate through the Venus cloud decks, which means that UV, visible, and IR remote sensing can investigate only the middle and upper atmosphere. The problem of intense multiple scattering is also considered.

  20. Charm Baryon Spectroscopy

    NASA Astrophysics Data System (ADS)

    Chistov, R.

    2016-02-01

    B-factories Belle and BaBar during its operation made not only measurements connected with B-meson decays but also numerous observation and measurements in charm physics. In particular, their results on charm baryon decays and spectroscopy have enlarged and enriched the current picture of heavy flavour hadrons. In this talk we overview current status of charm baryons and their excited states.

  1. Quantum Gravitational Spectroscopy

    DOE PAGES

    Nesvizhevsky, Valery V.; Antoniadis, Ignatios; Baessler, Stefan; ...

    2015-01-01

    We report that one of the main goals for improving the accuracy of quantum gravitational spectroscopy with neutrons is searches for extra short-range fundamental forces. We discuss also any progress in all competing nonneutron methods as well as constraints at other characteristic distances. Among major methodical developments related to the phenomenon of gravitational quantum states are the detailed theoretical analysis and the planning experiments on observation of gravitational quantum states of antihydrogen atoms.

  2. Colloquium: Graphene spectroscopy

    NASA Astrophysics Data System (ADS)

    Basov, D. N.; Fogler, M. M.; Lanzara, A.; Wang, Feng; Zhang, Yuanbo

    2014-07-01

    Spectroscopic studies of electronic phenomena in graphene are reviewed. A variety of methods and techniques are surveyed, from quasiparticle spectroscopies (tunneling, photoemission) to methods probing density and current response (infrared optics, Raman) to scanning probe nanoscopy and ultrafast pump-probe experiments. Vast complimentary information derived from these investigations is shown to highlight unusual properties of Dirac quasiparticles and many-body interaction effects in the physics of graphene.

  3. A computer program for Moessbauer data processing

    NASA Technical Reports Server (NTRS)

    Howser, L. M.; Singh, J. J.; Smith, R. E., Jr.

    1972-01-01

    A computer program to analyze Mossbauer data is presented in detail. The least-squares curve fitting techniques described apply to single line spectra, single hyperfine spectra, or when the constituent spectra are separated well enough to let the individual absorption peaks stand alone. The present program is not adapted for complex spectra resulting from the existence of several local environments in the absorber iron alloy. Sample problems are presented to aid the user in setting up and running the program. The program is written in FORTRAN 4 language for the Control Data 6000 series digital computer with the SCOPE 3.0 operating system and requires approximately 115,000 octal locations of core storage. A typical case with one absorption peak runs in 20 seconds, and a typical problem with six absorption peaks requires 50 seconds.

  4. Moessbauer mineralogy of calcined Murchison meteorite

    NASA Technical Reports Server (NTRS)

    Morris, Richard V.; Zolensky, M. E.; Hiroi, T.; Lipschutz, M. E.

    1994-01-01

    The three Antarctic meteorites B7904, Y82162, and Y86720 are unusual because they have characteristics in common with both CI and CM groups and because they apparently underwent thermal alteration after hydrous alteration on their parent body. They are also spectrally similar (visible and near-IR) to C, G, B, and F asteroids, which may imply that the surface materials on those asteroids may have undergone thermal alteration. Based on the reflectance spectra of samples of Murchison (CM2 carbonaceous chondrite) that were thermally altered in the laboratory (cryopumped and initial 10(exp -5) atm H2), Hiroi et al. concluded that putative thermal alteration occurred at temperatures of 600 to 1000 C. Similar experiments have been done on Murchison and reported mineralogical changes based on data from transmission electron diffraction microscopy, electron diffraction, and analytical electron microscopy. We report here the Mossbauer mineralogy of the same samples of thermally-altered Murchison. Mossbauer mineralogy gives the molar distribution of Fe among its oxidation states and iron-bearing mineralogies.

  5. Layman friendly spectroscopy

    NASA Astrophysics Data System (ADS)

    Sentic, Stipo; Sessions, Sharon

    Affordable consumer grade spectroscopes (e.g. SCiO, Qualcomm Tricorder XPRIZE) are becoming more available to the general public. We introduce the concepts of spectroscopy to the public and K12 students and motivate them to delve deeper into spectroscopy in a dramatic participatory presentation and play. We use diffraction gratings, lasers, and light sources of different spectral properties to provide a direct experience of spectroscopy techniques. Finally, we invite the audience to build their own spectroscope--utilizing the APS SpectraSnapp cell phone application--and study light sources surrounding them in everyday life. We recontextualize the stigma that science is hard (e.g. ``Math, Science Popular Until Students Realize They're Hard,'' The Wall Street Journal) by presenting the material in such a way that it demonstrates the scientific method, and aiming to make failure an impersonal scientific tool--rather than a measure of one's ability, which is often a reason for shying away from science. We will present lessons we have learned in doing our outreach to audiences of different ages. This work is funded by the APS Outreach Grant ``Captain, we have matter matters!'' We thank New Mexico Tech Physics Department and Physics Club for help and technical equipment.

  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. Nanowires for THz Spectroscopy

    DTIC Science & Technology

    2013-10-01

    03-D-0009 Mansoor Sheik- Bahae Prepared by: OVPR/ University Strategic Partnership MSC02 1660 1 University of New Mexico Albuquerque, New...Z39.18 00-10-2013 Technical 07/21/2010 - 04/30/2012 Nanowires for THz Spectroscopy HDTRA1-03-D-0009 Mansoor Sheik- Bahae 3 26 OVPR/University Strategic...kilogram (C/kg) second (s) kilogram (kg) kilo pascal (kPa) 3 TABLE OF CONTENTS: I . Introduction ………....…………………………………………………… 01 II

  8. Spectroscopy of Stellar Coronae

    NASA Astrophysics Data System (ADS)

    Laming, J. Martin

    I review the important spectroscopic results that have come from observations of stellar coronae, mainly by EUVE and ASCA, but also from HST. The plasma parameters that can be determined from such spectra include the electron density and temperature distributions, and relative element abundances. With high resolution spectra dynamical information can be obtained. Such parameters can then be used to put constraints on models of the heating and structure of stellar coronae. Throughout, I try to emphasise the similarities and differences between stellar coronal spectroscopy and that of the solar corona.

  9. Single nanowire extinction spectroscopy.

    PubMed

    Giblin, Jay; Vietmeyer, Felix; McDonald, Matthew P; Kuno, Masaru

    2011-08-10

    Here we show the first direct extinction spectra of single one-dimensional (1D) semiconductor nanostructures obtained at room temperature utilizing a spatial modulation approach. (1) For these materials, ensemble averaging in conventional extinction spectroscopy has limited our understanding of the interplay between carrier confinement and their electrostatic interactions. (2-4) By probing individual CdSe nanowires (NWs), we have identified and assigned size-dependent exciton transitions occurring across the visible. In turn, we have revealed the existence of room temperature 1D excitons in the narrowest NWs.

  10. Dark Matter Velocity Spectroscopy.

    PubMed

    Speckhard, Eric G; Ng, Kenny C Y; Beacom, John F; Laha, Ranjan

    2016-01-22

    Dark matter decays or annihilations that produce linelike spectra may be smoking-gun signals. However, even such distinctive signatures can be mimicked by astrophysical or instrumental causes. We show that velocity spectroscopy-the measurement of energy shifts induced by relative motion of source and observer-can separate these three causes with minimal theoretical uncertainties. The principal obstacle has been energy resolution, but upcoming experiments will have the precision needed. As an example, we show that the imminent Astro-H mission can use Milky Way observations to separate possible causes of the 3.5-keV line. We discuss other applications.

  11. Shiftless NMR Spectroscopy

    PubMed Central

    Wu, Chin H.; Opella, Stanley J.

    2013-01-01

    The acquisition and analysis of high resolution one- and two- dimensional solid-state NMR spectra without chemical shift frequencies are described. Many variations of Shiftless NMR spectroscopy are feasible. A two-dimensional experiment that correlates 13Cα-15N dipole-dipole and 1H-13Cα dipole-dipole couplings in single crystal and powder samples of the model peptide, 13Cα, 15N-acetylleucine, is demonstrated. In addition to the resolution of resonances from individual sites in a single crystal sample, the bond lengths and angles are characterized by the two-dimensional powder pattern obtained from a polycrystalline sample. PMID:18266429

  12. Mössbauer spectroscopy on respiratory complex I: the iron-sulfur cluster ensemble in the NADH-reduced enzyme is partially oxidized.

    PubMed

    Bridges, Hannah R; Bill, Eckhard; Hirst, Judy

    2012-01-10

    In mitochondria, complex I (NADH:quinone oxidoreductase) couples electron transfer to proton translocation across an energy-transducing membrane. It contains a flavin mononucleotide to oxidize NADH, and an unusually long series of iron-sulfur (FeS) clusters that transfer the electrons to quinone. Understanding electron transfer in complex I requires spectroscopic and structural data to be combined to reveal the properties of individual clusters and of the ensemble. EPR studies on complex I from Bos taurus have established that five clusters (positions 1, 2, 3, 5, and 7 along the seven-cluster chain extending from the flavin) are (at least partially) reduced by NADH. The other three clusters, positions 4 and 6 plus a cluster on the other side of the flavin, are not observed in EPR spectra from the NADH-reduced enzyme: they may remain oxidized, have unusual or coupled spin states, or their EPR signals may be too fast relaxing. Here, we use Mössbauer spectroscopy on (57)Fe-labeled complex I from the mitochondria of Yarrowia lipolytica to show that the cluster ensemble is only partially reduced in the NADH-reduced enzyme. The three EPR-silent clusters are oxidized, and only the terminal 4Fe cluster (position 7) is fully reduced. Together with the EPR analyses, our results reveal an alternating profile of higher and lower potential clusters between the two active sites in complex I; they are not consistent with the consensus picture of a set of isopotential clusters. The implications for intramolecular electron transfer along the extended chain of cofactors in complex I are discussed.

  13. Mössbauer Spectroscopy on Respiratory Complex I: The Iron–Sulfur Cluster Ensemble in the NADH-Reduced Enzyme Is Partially Oxidized

    PubMed Central

    2011-01-01

    In mitochondria, complex I (NADH:quinone oxidoreductase) couples electron transfer to proton translocation across an energy-transducing membrane. It contains a flavin mononucleotide to oxidize NADH, and an unusually long series of iron–sulfur (FeS) clusters that transfer the electrons to quinone. Understanding electron transfer in complex I requires spectroscopic and structural data to be combined to reveal the properties of individual clusters and of the ensemble. EPR studies on complex I from Bos taurus have established that five clusters (positions 1, 2, 3, 5, and 7 along the seven-cluster chain extending from the flavin) are (at least partially) reduced by NADH. The other three clusters, positions 4 and 6 plus a cluster on the other side of the flavin, are not observed in EPR spectra from the NADH-reduced enzyme: they may remain oxidized, have unusual or coupled spin states, or their EPR signals may be too fast relaxing. Here, we use Mössbauer spectroscopy on 57Fe-labeled complex I from the mitochondria of Yarrowia lipolytica to show that the cluster ensemble is only partially reduced in the NADH-reduced enzyme. The three EPR-silent clusters are oxidized, and only the terminal 4Fe cluster (position 7) is fully reduced. Together with the EPR analyses, our results reveal an alternating profile of higher and lower potential clusters between the two active sites in complex I; they are not consistent with the consensus picture of a set of isopotential clusters. The implications for intramolecular electron transfer along the extended chain of cofactors in complex I are discussed. PMID:22122402

  14. Nuclear resonance vibrational spectroscopy reveals the FeS cluster composition and active site vibrational properties of an O2-tolerant NAD+-reducing [NiFe] hydrogenase

    DOE PAGES

    Lauterbach, Lars; Wang, Hongxin; Horch, Marius; ...

    2014-10-30

    Hydrogenases are complex metalloenzymes that catalyze the reversible splitting of molecular hydrogen into protons and electrons essentially without overpotential. The NAD+-reducing soluble hydrogenase (SH) from Ralstonia eutropha is capable of H2 conversion even in the presence of usually toxic dioxygen. The molecular details of the underlying reactions are largely unknown, mainly because of limited knowledge of the structure and function of the various metal cofactors present in the enzyme. Here, all iron-containing cofactors of the SH were investigated by 57Fe specific nuclear resonance vibrational spectroscopy (NRVS). Our data provide experimental evidence for one [2Fe2S] center and four [4Fe4S] clusters, whichmore » is consistent with the amino acid sequence composition. Only the [2Fe2S] cluster and one of the four [4Fe4S] clusters were reduced upon incubation of the SH with NADH. This finding explains the discrepancy between the large number of FeS clusters and the small amount of FeS cluster-related signals as detected by electron paramagnetic resonance spectroscopic analysis of several NAD+-reducing hydrogenases. For the first time, Fe–CO and Fe–CN modes derived from the [NiFe] active site could be distinguished by NRVS through selective 13C labeling of the CO ligand. This strategy also revealed the molecular coordinates that dominate the individual Fe–CO modes. The present approach explores the complex vibrational signature of the Fe–S clusters and the hydrogenase active site, thereby showing that NRVS represents a powerful tool for the elucidation of complex biocatalysts containing multiple cofactors.« less

  15. Iron silicide formation at different layers of (Fe/Si){sub 3} multilayered structures determined by conversion electron Mössbauer spectroscopy

    SciTech Connect

    Badía-Romano, L. Bartolomé, J.; Rubín, J.; Magén, C.; Bürgler, D. E.

    2014-07-14

    The morphology and the quantitative composition of the Fe-Si interface layer forming at each Fe layer of a (Fe/Si){sub 3} multilayer have been determined by means of conversion electron Mössbauer spectroscopy (CEMS) and high-resolution transmission electron microscopy (HRTEM). For the CEMS measurements, each layer was selected by depositing the Mössbauer active {sup 57}Fe isotope with 95% enrichment. Samples with Fe layers of nominal thickness d{sub Fe} = 2.6 nm and Si spacers of d{sub Si} = 1.5 nm were prepared by thermal evaporation onto a GaAs(001) substrate with an intermediate Ag(001) buffer layer. HRTEM images showed that Si layers grow amorphous and the epitaxial growth of the Fe is good only for the first deposited layer. The CEMS spectra show that at all Fe/Si and Si/Fe interfaces a paramagnetic c-Fe{sub 1−x}Si phase is formed, which contains 16% of the nominal Fe deposited in the Fe layer. The bottom Fe layer, which is in contact with the Ag buffer, also contains α-Fe and an Fe{sub 1−x}Si{sub x} alloy that cannot be attributed to a single phase. In contrast, the other two layers only comprise an Fe{sub 1−x}Si{sub x} alloy with a Si concentration of ≃0.15, but no α-Fe.

  16. Atmospheric trace molecule spectroscopy

    NASA Technical Reports Server (NTRS)

    Farmer, C. B.

    1982-01-01

    The Spacelab investigation entitled Atmospheric Trace Molecule Spectroscopy (ATMOS) is designed to obtain fundamental information related to the chemistry and physics of the Earth's upper atmosphere using the techniques of infrared absorption spectroscopy. There are two principal objectives to be met. The first is the determination, on a global scale, of the compositional structure of the upper atmosphere and its spatial variability. The establishment of this variability represents the first step toward determining the characteristic residence times for the upper atmospheric constituents; the magnitudes of their sources and sinks; and, ultimately, an understanding of their effects on the stability of the stratosphere. The second objective is to provide the high-resolution, calibrated spectral information which is essential for the detailed design of advanced instrumentation for subsequent global monitoring of specific species found to be critical to atmospheric stability. This information will be disseminated in the form of a three dimensional atlas of solar absorption spectra obtained over a range of latitudes, longitudes, and altitudes.

  17. Vibronic Spectroscopy of Phenylvinylnitrile

    NASA Astrophysics Data System (ADS)

    Mehta, Deepali N.; Navotnaya, Polina; Parobek, Alex; Clayton, Rachel; Vara, Vanesa Vaquero; Zwier, Timothy S.

    2012-06-01

    This talk will present results of a gas phase, jet-cooled vibronic spectroscopy study of phenylvinylnitrile (C_6H_5-CH=CH-C≡N, PVN). This molecule is seen as a potential photochemical precursor to nitrogen heteroaromatics, and therefore is particularly relevant to Titan's atmosphere, where nitriles exist in significant abundance. As a first step towards such photochemical studies, a fluorescence excitation spectrum of PVN spanning the range 33,500-35,840 cm- 1 (298.5-279.0 nm) has been recorded, and dispersed fluorescence spectra that uncover and characterize the vibronic activity have been acquired. The S_0-S_1 origin is a prominent band located at 33,826 cm- 1, and the excitation spectrum is characterized by significant vibronic activity leading to spectral congestion. Hole-burning in the region of 33,500-35,840 cm- 1 has also been completed, and the excitation spectrum can be assigned solely to (E)-PVN. As PVN is the nitrogen-containing counterpart to phenylvinylacetylene (PVA), a comparison of the vibronic spectroscopy between the two molecules will be made.

  18. Photothermal spectroscopy of aerosols

    SciTech Connect

    Campillo, A.J.; Lin, H.B.

    1981-04-01

    In situ aerosol absorption spectroscopy was performed using two novel photothermal detection schemes. The first, based on a photorefractive effect and coherent detection, called phase fluctuation optical heterodyne (PFLOH) spectroscopy, could, depending on the geometry employed, yield particle specific or particle and gas absorption data. Single particles of graphite as small as 1 ..mu..m were detected in the particle specific mode. In another geometrical configuration, the total absorption (both gas and particle) of submicron sized aerosols of ammonium sulfate particles in equilibrium with gaseous ammonia and water vapor were measured at varying CO/sub 2/ laser frequencies. The specific absorption coefficient for the sulfate ion was measured to be 0.5 m/sup 2//g at 1087 cm/sup -1/. The absorption coefficient sensitivity of this scheme was less than or equal to 10/sup -8/ cm/sup -1/. The second scheme is a hybrid visible Mie scattering scheme incorporating photothermal modulation. Particle specific data on ammonium sulfate droplets were obtained. For chemically identical species, the relative absorption spectrum versus laser frequency can be obtained for polydisperse aerosol distributions directly from the data without the need for complex inverse scattering calculations.

  19. Raman spectroscopy in graphene

    NASA Astrophysics Data System (ADS)

    Malard, L. M.; Pimenta, M. A.; Dresselhaus, G.; Dresselhaus, M. S.

    2009-04-01

    Recent Raman scattering studies in different types of graphene samples are reviewed here. We first discuss the first-order and the double resonance Raman scattering mechanisms in graphene, which give rise to the most prominent Raman features. The determination of the number of layers in few-layer graphene is discussed, giving special emphasis to the possibility of using Raman spectroscopy to distinguish a monolayer from few-layer graphene stacked in the Bernal (AB) configuration. Different types of graphene samples produced both by exfoliation and using epitaxial methods are described and their Raman spectra are compared with those of 3D crystalline graphite and turbostratic graphite, in which the layers are stacked with rotational disorder. We show that Resonance Raman studies, where the energy of the excitation laser line can be tuned continuously, can be used to probe electrons and phonons near the Dirac point of graphene and, in particular allowing a determination to be made of the tight-binding parameters for bilayer graphene. The special process of electron-phonon interaction that renormalizes the phonon energy giving rise to the Kohn anomaly is discussed, and is illustrated by gated experiments where the position of the Fermi level can be changed experimentally. Finally, we discuss the ability of distinguishing armchair and zig-zag edges by Raman spectroscopy and studies in graphene nanoribbons in which the Raman signal is enhanced due to resonance with singularities in the density of electronic states.

  20. Resonance Raman spectroscopy.

    PubMed

    Robert, Bruno

    2009-01-01

    Resonance Raman spectroscopy may yield precise information on the conformation of, and on the interactions assumed by, the chromophores involved in the first steps of the photosynthetic process, whether isolated in solvents, embedded in soluble or membrane proteins, or, as shown recently, in vivo. By making use of this technique, it is possible, for instance, to relate the electronic properties of these molecules to their structure and/or the physical properties of their environment, or to determine subtle changes of their conformation associated with regulatory processes. After a short introduction to the physical principles that govern resonance Raman spectroscopy, the information content of resonance Raman spectra of chlorophyll and carotenoid molecules is described in this review, together with the experiments which helped in determining which structural parameter each Raman band is sensitive to. A selection of applications of this technique is then presented, in order to give a fair and precise idea of which type of information can be obtained from its use in the field of photosynthesis.

  1. Wave mixing spectroscopy

    SciTech Connect

    Smith, R.W.

    1980-08-01

    Several new aspects of nonlinear or wave mixing spectroscopy were investigated utilizing the polarization properties of the nonlinear output field and the dependence of this field upon the occurrence of multiple resonances in the nonlinear susceptibility. First, it is shown theoretically that polarization-sensitive detection may be used to either eliminate or controllably reduce the nonresonant background in coherent anti-Stokes Raman spectroscopy, allowing weaker Raman resonances to be studied. The features of multi-resonant four-wave mixing are examined in the case of an inhomogeneously broadened medium. It is found that the linewidth of the nonlinear output narrows considerably (approaching the homogeneous width) when the quantum mechanical expressions for the doubly- and triply-resonant susceptibilities are averaged over a Doppler or strain broadened profile. Experimental studies of nonlinear processes in Pr/sup +3/:LaF/sub 3/ verify this linewidth narrowing, but indicate that this strain broadened system cannot be treated with a single broadening parameter as in the case of Doppler broadening in a gas. Several susceptibilities are measured from which are deduced dipole matrix elements and Raman polarizabilities related to the /sup 3/H/sub 4/, /sup 3/H/sub 6/, and /sup 3/P/sub 0/ levels of the praseodymium ions.

  2. Nanowire Electron Scattering Spectroscopy

    NASA Technical Reports Server (NTRS)

    Hunt, Brian; Bronikowsky, Michael; Wong, Eric; VonAllmen, Paul; Oyafuso, Fablano

    2009-01-01

    Nanowire electron scattering spectroscopy (NESS) has been proposed as the basis of a class of ultra-small, ultralow-power sensors that could be used to detect and identify chemical compounds present in extremely small quantities. State-of-the-art nanowire chemical sensors have already been demonstrated to be capable of detecting a variety of compounds in femtomolar quantities. However, to date, chemically specific sensing of molecules using these sensors has required the use of chemically functionalized nanowires with receptors tailored to individual molecules of interest. While potentially effective, this functionalization requires labor-intensive treatment of many nanowires to sense a broad spectrum of molecules. In contrast, NESS would eliminate the need for chemical functionalization of nanowires and would enable the use of the same sensor to detect and identify multiple compounds. NESS is analogous to Raman spectroscopy, the main difference being that in NESS, one would utilize inelastic scattering of electrons instead of photons to determine molecular vibrational energy levels. More specifically, in NESS, one would exploit inelastic scattering of electrons by low-lying vibrational quantum states of molecules attached to a nanowire or nanotube.

  3. Array-based photoacoustic spectroscopy

    DOEpatents

    Autrey, S. Thomas; Posakony, Gerald J.; Chen, Yu

    2005-03-22

    Methods and apparatus for simultaneous or sequential, rapid analysis of multiple samples by photoacoustic spectroscopy are disclosed. A photoacoustic spectroscopy sample array including a body having at least three recesses or affinity masses connected thereto is used in conjunction with a photoacoustic spectroscopy system. At least one acoustic detector is positioned near the recesses or affinity masses for detection of acoustic waves emitted from species of interest within the recesses or affinity masses.

  4. Photoelectron photoion molecular beam spectroscopy

    SciTech Connect

    Trevor, D.J.

    1980-12-01

    The use of supersonic molecular beams in photoionization mass spectroscopy and photoelectron spectroscopy to assist in the understanding of photoexcitation in the vacuum ultraviolet is described. Rotational relaxation and condensation due to supersonic expansion were shown to offer new possibilities for molecular photoionization studies. Molecular beam photoionization mass spectroscopy has been extended above 21 eV photon energy by the use of Stanford Synchrotron Radiation Laboratory (SSRL) facilities. Design considerations are discussed that have advanced the state-of-the-art in high resolution vuv photoelectron spectroscopy. To extend gas-phase studies to 160 eV photon energy, a windowless vuv-xuv beam line design is proposed.

  5. 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}.

  6. NiO/Fe(001): Magnetic anisotropy, exchange bias, and interface structure

    SciTech Connect

    Mlynczak, E.; Luches, P.

    2013-06-21

    The magnetic and structural properties of NiO/Fe epitaxial bilayers grown on MgO(001) were studied using magnetooptic Kerr effect (MOKE) and conversion electron Moessbauer spectroscopy (CEMS). The bilayers were prepared under ultra high vacuum conditions using molecular beam epitaxy with oblique deposition. Two systems were compared: one showing the exchange bias (100ML-NiO/24ML-Fe), ML stands for a monolayer, and another where the exchange bias was not observed (50ML-NiO/50ML-Fe). For both, the magnetic anisotropy was found to be complex, yet dominated by the growth-induced uniaxial anisotropy. The training effect was observed for the 100ML-NiO/24ML-Fe system and quantitatively described using the spin glass model. The composition and magnetic state of the interfacial Fe layers were studied using {sup 57}Fe-CEMS. An iron oxide phase (Fe{sup 3+}{sub 4}Fe{sup 2+}{sub 1}O{sub 7}), as thick as 31 A, was identified at the NiO/Fe interface in the as-deposited samples. The ferrimagnetic nature of the interfacial iron oxide film explains the complex magnetic anisotropy observed in the samples.

  7. Computational multiheterodyne spectroscopy

    PubMed Central

    Burghoff, David; Yang, Yang; Hu, Qing

    2016-01-01

    Dual-comb spectroscopy allows for high-resolution spectra to be measured over broad bandwidths, but an essential requirement for coherent integration is the availability of a phase reference. Usually, this means that the combs’ phase and timing errors must be measured and either minimized by stabilization or removed by correction, limiting the technique’s applicability. We demonstrate that it is possible to extract the phase and timing signals of a multiheterodyne spectrum completely computationally, without any extra measurements or optical elements. These techniques are viable even when the relative linewidth exceeds the repetition rate difference and can tremendously simplify any dual-comb system. By reconceptualizing frequency combs in terms of the temporal structure of their phase noise, not their frequency stability, we can greatly expand the scope of multiheterodyne techniques. PMID:27847870

  8. Hadron spectroscopy at RHIC

    SciTech Connect

    Chung, S.U.; Kern, W.; Willutzki, H.J.

    1990-08-01

    A description is given of the physics opportunities at RHIC regarding quark-gluon spectroscopy. The basic idea is to isolate with appropriate triggers the subprocesses pomeron + pomeron {yields} hadrons and {gamma}* + {gamma}* {yields} hadrons with the net effective mass of hadrons in the range of 1.0 to 3.0 GeV, in order to study the hadronic states composed of u, d, and s and gluons. The double-pomeron interactions are expected to produce glueballs and hybrids preferentially, while the two-offshell-photon initial states should couple predominantly to quarkonia and multiquark states. A plethora of J{sup PC}-exotic mesons can be produced either directly in both types of interactions or in association with a single recoil photon in the final state. 8 refs., 2 figs.

  9. Ultraviolet spectroscopy of comae

    NASA Technical Reports Server (NTRS)

    Feldman, P. D.

    1982-01-01

    Vacuum ultraviolet observations from sounding rockets and satellite observatories of the gaseous comae of several recent comets are reviewed. The earliest of these led to discovery of the hydrogen envelope extending for millions of km from the nucleus. Subsequent observations of H I Lyman alpha, the OH (0,0) band and the oxygen resonance triplet have provided strong evidence for the water-ice model of the cometary nucleus. Several new species were discovered in the coma, including C, C(+), CO, S and CS. High-resolution spectroscopy and the spatial variation of the observed emissions provide means to elucidate the production and excitation mechanisms of these species. The similarity of the spectra of the half-dozen comets observed to date argues for a common, homogeneous composition (with the exception of dust and CO) of the cometary ice and a minimal effect on the neutral species due to molecular collisions in the inner coma.

  10. Precision Spectroscopy of Tellurium

    NASA Astrophysics Data System (ADS)

    Coker, James; Furneaux, John; Dept. of Physics and Astronomy Team

    2013-05-01

    Tellurium (Te2) is widely used as a frequency reference, and although a standard atlas encompassing over 5200 cm-1 already exists, Doppler broadening present in that work buries a significant portion of the features. More recent but less complete studies of Te2 exist which do not exhibit Doppler broadening, and this work adds to that knowledge a few hundred transitions in the vicinity of 444 nm. Using a Fabry Perot cavity in a shock-absorbing, temperature and pressure regulated chamber, locked to a Zeeman stabilized HeNe laser, we measure changes in frequency of our diode laser to ~1 MHz precision. This diode laser is scanned over 1000 GHz for use in a saturated-absorption spectroscopy cell filled with Te2 vapor. This data allows for new studies of the excited states of Te2.

  11. Broadband local dielectric spectroscopy

    NASA Astrophysics Data System (ADS)

    Labardi, M.; Lucchesi, M.; Prevosto, D.; Capaccioli, S.

    2016-05-01

    A route to extend the measurement bandwidth of local dielectric spectroscopy up to the MHz range has been devised. The method is based on a slow amplitude modulation at a frequency Ω of the excitation field oscillating at a frequency ω and the coherent detection of the modulated average electric force or force gradient at Ω. The cantilever mechanical response does not affect the measurement if Ω is well below its resonant frequency; therefore, limitations on the excitation field frequency are strongly reduced. Demonstration on a thin poly(vinyl acetate) film is provided, showing its structural relaxation spectrum on the local scale up to 45 °C higher than glass temperature, and nanoscale resolution dielectric relaxation imaging near conductive nanowires embedded in the polymer matrix was obtained up to 5 MHz frequency, with no physical reason to hinder further bandwidth extension.

  12. Photodetachment Spectroscopy of As

    NASA Astrophysics Data System (ADS)

    Field, R. L., III; Snedden, A. P.; Shapiro, J. Z.; Janczak, C. M.; Walter, C. W.; Gibson, N. D.

    2007-10-01

    Tunable infrared laser photodetachment spectroscopy has been performed on As{ } using a crossed laser-ion beam apparatus. The relative photodetachment cross section for neutral production was measured, revealing a threshold near 804.8 meV, interpreted as the opening of the As (4p4 3}P{2) to As (4p3 4}S{3/2) ground state to ground state transition. The Δ E (3P1 - 3P2) fine structure splitting is also measured. The values of the present work are consistent with, and reduce the uncertainty of, previous measurements [1,2]. [1] Lippa, T. P., {et al}, Journal of Chemical Physics {109}, 10727 (1998). [2] Haeffler, G., {et. al}. Zeitshrift f"{u}r Physik D {42}, 263 (1997).

  13. High Frequency EPR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Gatteschi, D.

    EPR has traditionally been used in order to obtain structural information on transition metal compounds, with exciting frequencies in the range 9-35 GHz.The recent availability of high magnetic field has prompted the use of higher frequencies. In this contribution the advantages of using High-Field-High-Frequency EPR (HF EPR) experiments are reviewed. After a brief introduction aiming to recall the fundamentals of EPR spectroscopy, a short description of the experimental apparatus needed to perform HF EPR measurements is provided. The remaining sections report selected examples showing how much information can be obtained by HF EPR spectra. They range from individual ions with integer spin to molecular clusters. Particular attention is devoted to the so called Single Molecule Magnets, SMM, i.e. to molecular clusters which show slow relaxation of the magnetization at low temperature. This effect is due to Ising type magnetic anisotropy which has been efficiently monitored through HF EPR s pectroscopy.

  14. Soliton absorption spectroscopy

    PubMed Central

    Kalashnikov, V. L.; Sorokin, E.

    2010-01-01

    We analyze optical soliton propagation in the presence of weak absorption lines with much narrower linewidths as compared to the soliton spectrum width using the novel perturbation analysis technique based on an integral representation in the spectral domain. The stable soliton acquires spectral modulation that follows the associated index of refraction of the absorber. The model can be applied to ordinary soliton propagation and to an absorber inside a passively modelocked laser. In the latter case, a comparison with water vapor absorption in a femtosecond Cr:ZnSe laser yields a very good agreement with experiment. Compared to the conventional absorption measurement in a cell of the same length, the signal is increased by an order of magnitude. The obtained analytical expressions allow further improving of the sensitivity and spectroscopic accuracy making the soliton absorption spectroscopy a promising novel measurement technique. PMID:21151755

  15. Protected subspace Ramsey spectroscopy

    NASA Astrophysics Data System (ADS)

    Ostermann, L.; Plankensteiner, D.; Ritsch, H.; Genes, C.

    2014-11-01

    We study a modified Ramsey spectroscopy technique employing slowly decaying states for quantum metrology applications using dense ensembles. While closely positioned atoms exhibit super-radiant collective decay and dipole-dipole induced frequency shifts, recent results [L. Ostermann, H. Ritsch, and C. Genes, Phys. Rev. Lett. 111, 123601 (2013), 10.1103/PhysRevLett.111.123601] suggest the possibility to suppress such detrimental effects and achieve an even better scaling of the frequency sensitivity with interrogation time than for noninteracting particles. Here we present an in-depth analysis of this "protected subspace Ramsey technique" using improved analytical modeling and numerical simulations including larger three-dimensional (3D) samples. Surprisingly we find that using subradiant states of N particles to encode the atomic coherence yields a scaling of the optimal sensitivity better than 1 /√{N } . Applied to ultracold atoms in 3D optical lattices we predict a precision beyond the single atom linewidth.

  16. Resonant ultrasound spectroscopy

    DOEpatents

    Migliori, Albert

    1991-01-01

    A resonant ultrasound spectroscopy method provides a unique characterization of an object for use in distinguishing similar objects having physical differences greater than a predetermined tolerance. A resonant response spectrum is obtained for a reference object by placing excitation and detection transducers at any accessible location on the object. The spectrum is analyzed to determine the number of resonant response peaks in a predetermined frequency interval. The distribution of the resonance frequencies is then characterized in a manner effective to form a unique signature of the object. In one characterization, a small frequency interval is defined and stepped though the spectrum frequency range. Subsequent objects are similarly characterized where the characterizations serve as signatures effective to distinguish objects that differ from the reference object by more than the predetermined tolerance.

  17. Femtosecond Stimulated Raman Spectroscopy.

    PubMed

    Dietze, Daniel R; Mathies, Richard A

    2016-05-04

    Femtosecond stimulated Raman spectroscopy (FSRS) is an ultrafast nonlinear optical technique that provides vibrational structural information with high temporal (sub-50 fs) precision and high spectral (10 cm(-1) ) resolution. Since the first full demonstration of its capabilities ≈15 years ago, FSRS has evolved into a mature technique, giving deep insights into chemical and biochemical reaction dynamics that would be inaccessible with any other technique. It is now being routinely applied to virtually all possible photochemical reactions and systems spanning from single molecules in solution to thin films, bulk crystals and macromolecular proteins. This review starts with an historic overview and discusses the theoretical and experimental concepts behind this technology. Emphasis is put on the current state-of-the-art experimental realization and several variations of FSRS that have been developed. The unique capabilities of FSRS are illustrated through a comprehensive presentation of experiments to date followed by prospects.

  18. Electron spectroscopy analysis

    NASA Technical Reports Server (NTRS)

    Gregory, John C.

    1992-01-01

    The Surface Science Laboratories at the University of Alabama in Huntsville (UAH) are equipped with x-ray photoelectron spectroscopy (XPS or ESCA) and Auger electron spectroscopy (AES) facilities. These techniques provide information from the uppermost atomic layers of a sample, and are thus truly surface sensitive. XPS provides both elemental and chemical state information without restriction on the type of material that can be analyzed. The sample is placed into an ultra high vacuum (UHV) chamber and irradiated with x-rays which cause the ejection of photoelectrons from the sample surface. Since x-rays do not normally cause charging problems or beam damage, XPS is applicable to a wide range of samples including metals, polymers, catalysts, and fibers. AES uses a beam of high energy electrons as a surface probe. Following electronic rearrangements within excited atoms by this probe, Auger electrons characteristic of each element present are emitted from the sample. The main advantage of electron induced AES is that the electron beam can be focused down to a small diameter and localized analysis can be carried out. On the rastering of this beam synchronously with a video display using established scanning electron microscopy techniques, physical images and chemical distribution maps of the surface can be produced. Thus very small features, such as electronic circuit elements or corrosion pits in metals, can be investigated. Facilities are available on both XPS and AES instruments for depth-profiling of materials, using a beam of argon ions to sputter away consecutive layers of material to reveal sub-surface (and even semi-bulk) analyses.

  19. Infrared spectroscopy of aerosols

    NASA Astrophysics Data System (ADS)

    Mentel, Th.; Sebald, H.

    2003-04-01

    In our large Aerosol Chamber at the FZ Jülich we apply HR FTIR absorption spectroscopy for the determination of trace gases. In the FTIR spectra we also observe broad absorptions of several 10 to a few 100 cm-1 widths that arise from species in the condensed aerosol phase: liquid H_2O, NO_3^-, SO_42-, HSO_4^-, or dicarboxylic acids. Moreover, the aerosol droplets caused extinctions over several 1000 cm-1 by IR scattering. This allows for in-situ observation of changes in the condensed aerosol phase e.g. on HNO_3 uptake, like the shift of the sulfate/bisulfate equilibrium or the growth by water condensation. The IR absorptions of the condensed aerosol phase provide useful extra information in process studies, if they can be quantified. Therefore the absorption cross section, respective, the absorption index which is the imaginary part of the complex refractive index is needed. We set up an aerosol flow tube in which IR spectroscopy on a 8 m light path and aerosol size distribution measurements in the range from 20 nm - 10 μm can be performed simultaneously. We measured sulfate aerosols at several relative humidities (dry, metastable, deliquescent). We will demonstrate an iterative procedure based on Mie calculations and Kramers Kronig transformation to retrieve the absorption index from the observed IR spectra and the corresponding size distribution (for dry ammonium sulfate). We will compare resulting absorption indices for aqueous sodium bisulfate aerosols at several relative humidties with thermodynamic model calculations for the Na^+/H^+/HSO_4^-/SO_42-/H_2O system.

  20. Wavelength-modulated photocapacitance spectroscopy

    NASA Technical Reports Server (NTRS)

    Kamieniecki, E.; Lagowski, J.; Gatos, H. C.

    1980-01-01

    Derivative deep-level spectroscopy was achieved with wavelength-modulated photocapacitance employing MOS structures and Schottky barriers. The energy position and photoionization characteristics of deep levels of melt-grown GaAs and the Cr level in high-resistivity GaAs were determined. The advantages of this method over existing methods for deep-level spectroscopy are discussed.

  1. The light meson spectroscopy program

    SciTech Connect

    Smith, Elton S.

    2014-06-01

    Recent discoveries of a number of unexpected new charmomium-like meson states at the BaBar and Belle B-factories have demonstrated how little is still known about meson spectroscopy. In this talk we will review recent highlights of the light quark spectroscopy from collider and fixed target experiments.

  2. Spectroscopy, Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Hellman, Hal

    This booklet is one of the "Understanding the Atom" Series. The science of spectroscopy is presented by a number of topics dealing with (1) the uses of spectroscopy, (2) its origin and background, (3) the basic optical systems of spectroscopes, spectrometers, and spectrophotometers, (4) the characteristics of wave motion, (5) the…

  3. Infrared heterodyne spectroscopy in astronomy

    NASA Technical Reports Server (NTRS)

    Betz, A.

    1980-01-01

    A heterodyne spectrometer was constructed and applied to problems in infrared astronomical spectroscopy. The instrument offers distinct observational advantages for the detection and analysis of individual spectral lines at Doppler-limited resolution. Observations of carbon dioxide in planetary atmospheres and ammonia in circumstellar environments demonstrate the substantial role that infrared heterodyne techniques will play in the astronomical spectroscopy of the future.

  4. An Introductory Infrared Spectroscopy Experiment.

    ERIC Educational Resources Information Center

    Hess, Kenneth R.; Smith, Wendy D.; Thomsen, Marcus W.; Yoder, Claude H.

    1995-01-01

    Describes a project designed to introduce infrared spectroscopy as a structure-determination technique. Students are introduced to infrared spectroscopy fundamentals then try to determine the identity of an unknown liquid from its infrared spectrum and molecular weight. The project demonstrates that only rarely can the identity of even simple…

  5. An Introductory Infrared Spectroscopy Experiment.

    ERIC Educational Resources Information Center

    Hess, Kenneth R.; Smith, Wendy D.; Thomsen, Marcus W.; Yoder, Claude H.

    1995-01-01

    Describes a project designed to introduce infrared spectroscopy as a structure-determination technique. Students are introduced to infrared spectroscopy fundamentals then try to determine the identity of an unknown liquid from its infrared spectrum and molecular weight. The project demonstrates that only rarely can the identity of even simple…

  6. Industrial applications of Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Grasselli, J. G.; Walder, F.; Petty, C.; Kemeny, G.

    1993-03-01

    In the last two decades, Raman spectroscopy has matured as an important method for the study of molecules and complex molecular systems. This is evident from the number of fine texts and the many review articles which have been published describing theory and applications of Raman spectroscopy over a very broad range of subjects (1-10). Raman spectroscopy is the essential partner to infrared spectroscopy for a complete vibrational analysis of a molecule in structure determinations. From the understanding developed on small molecules, theory was extended to interpret the spectra of larger systems such as polymers, biological molecules, and ordered condensed phases. The contribution of Raman spectroscopy to these areas has been significant. It was the development of commercial lasers in the 1960s which spurred the renewed interest in the Raman technique. But applications were still limited for highly fluorescing or intensely colored systems. In 1986, a breakthrough paper by Hirschfeld and Chase (11) described the use of near-infrared laser excitation and a commercial interferometer-based FT-IR spectrometer to record FT-Raman spectra. Significant advantages included the inherent multiplex, throughput and data processing features of the FT interferometers and the use of a ND:YAG laser (1.064 μm) which dramatically decreased problems with sample fluorescence and decomposition. A deluge of papers describing applications of FT-Raman spectroscopy can be found in the Journal of Raman Spectroscopy, Spectrochimica Acta (special issues 40A ad 47A), and Applied Spectroscopy since then.

  7. Electron paramagnetic resonance and Mössbauer spectroscopy and density functional theory analysis of a high-spin Fe(IV)-oxo complex.

    PubMed

    Gupta, Rupal; Lacy, David C; Bominaar, Emile L; Borovik, A S; Hendrich, Michael P

    2012-06-13

    High-spin Fe(IV)-oxo species are known to be kinetically competent oxidants in non-heme iron enzymes. The properties of these oxidants are not as well understood as the corresponding intermediate-spin oxidants of heme complexes. The present work gives a detailed characterization of the structurally similar complexes [Fe(IV)H(3)buea(O)](-), [Fe(III)H(3)buea(O)](2-), and [Fe(III)H(3)buea(OH)](-) (H(3)buea = tris[(N'-tert-butylureaylato)-N-ethylene]aminato) using Mössbauer and dual-frequency/dual-mode electron paramagnetic resonance (EPR) spectroscopies. The [Fe(IV)H(3)buea(O)](-) complex has a high-spin (S = 2) configuration imposed by the C(3)-symmetric ligand. The EPR spectra of the [Fe(IV)H(3)buea(O)](-) complex presented here represent the first documented examples of an EPR signal from an Fe(IV)-oxo complex, demonstrating the ability to detect and quantify Fe(IV) species with EPR spectroscopy. Quantitative simulations allowed the determination of the zero-field parameter, D = +4.7 cm(-1), and the species concentration. Density functional theory (DFT) calculations of the zero-field parameter were found to be in agreement with the experimental value and indicated that the major contribution to the D value is from spin-orbit coupling of the ground state with an excited S = 1 electronic configuration at 1.2 eV. (17)O isotope enrichment experiments allowed the determination of the hyperfine constants ((17)O)A(z) = 10 MHz for [Fe(IV)H(3)buea(O)](-) and ((17)O)A(y) = 8 MHz, ((17)O)A(z) = 12 MHz for [Fe(III)H(3)buea(OH)](-). The isotropic hyperfine constant (((17)O)A(iso) = -16.8 MHz) was derived from the experimental value to allow a quantitative determination of the spin polarization (ρ(p) = 0.56) of the oxo p orbitals of the Fe-oxo bond in [Fe(IV)H(3)buea(O)](-). This is the first experimental determination for non-heme complexes and indicates significant covalency in the Fe-oxo bond. High-field Mössbauer spectroscopy gave an (57)Fe A(dip) tensor of (+5.6, +5

  8. Laser Spectroscopy and Frequency Combs

    NASA Astrophysics Data System (ADS)

    Hänsch, Theodor W.; Picqué, Nathalie

    2013-12-01

    The spectrum of a frequency comb, commonly generated by a mode-locked femtosecond laser consists of several hundred thousand precisely evenly spaced spectral lines. Such laser frequency combs have revolutionized the art measuring the frequency of light, and they provide the long-missing clockwork for optical atomic clocks. The invention of the frequency comb technique has been motivated by precision laser spectroscopy of the simple hydrogen atom. The availability of commercial instruments is facilitating the evolution of new applications far beyond the original purpose. Laser combs are becoming powerful instruments for broadband molecular spectroscopy by dramatically improving the resolution and recording speed of Fourier spectrometers and by creating new opportunities for highly multiplexed nonlinear spectroscopy, such as two-photon spectroscopy or coherent Raman spectroscopy. Other emerging applications of frequency combs range from fundamental research in astronomy, chemistry, or attosecond science to telecommunications and satellite navigation.

  9. Operando fuel cell spectroscopy

    NASA Astrophysics Data System (ADS)

    Kendrick, Ian Michael

    The active state of a catalyst only exists during catalysis (1) provided the motivation for developing operando spectroscopic techniques. A polymer electrolyte membrane fuel cell (PEMFC) was designed to interface with commercially available instruments for acquisition of infrared spectra of the catalytic surface of the membrane electrode assembly (MEA) during normal operation. This technique has provided insight of the complex processes occurring at the electrode surface. Nafion, the solid electrolyte used in most modern-day polymer electrolyte membrane fuel cells (PEMFC), serves many purposes in fuel cell operation. However, there is little known of the interface between Nafion and the electrode surface. Previous studies of complex Stark tuning curves of carbon monoxide on the surface of a platinum electrode were attributed the co-adsorption of bisulfite ions originating from the 0.5M H2SO4 electrolyte used in the study(2). Similar tuning curves obtained on a fuel cell MEA despite the absence of supplemental electrolytes suggest the adsorption of Nafion onto platinum (3). The correlation of spectra obtained using attenuated total reflectance spectroscopy (ATR) and polarization modulated IR reflection-absorption spectroscopy (PM-IRRAS) to a theoretical spectrum generated using density functional theory (DFT) lead to development of a model of Nafion and platinum interaction which identified participation of the SO3- and CF3 groups in Nafion adsorption. The use of ethanol as a fuel stream in proton exchange membrane fuel cells provides a promising alternative to methanol. Relative to methanol, ethanol has a greater energy density, lower toxicity and can be made from the fermentation of biomass(4). Operando IR spectroscopy was used to study the oxidation pathway of ethanol and Stark tuning behavior of carbon monoxide on Pt, Ru, and PtRu electrodes. Potential dependent products such as acetaldehyde, acetic acid and carbon monoxide are identified as well as previously

  10. Project LITE Spectroscopy

    NASA Astrophysics Data System (ADS)

    Weeks, E.; Brecher, K.; Carr, P.; Garik, P.

    2003-12-01

    Spectroscopy is one of the most important tools used by astronomers to disentangle information about the universe. However, it is one of the most challenging subjects in undergraduate astronomy courses. Among the most difficult concepts for students to master are Kirchhoff's laws, blackbody radiation, the Stefan-Boltzmann law, Wien's law, the nature and causes of emission and absorption lines, and the relation of spectra to the underlying astronomical and physical processes producing them. Students often seem baffled by the connection between a spectrum seen visually as a color band and the same spectrum plotted graphically as intensity versus wavelength or frequency. Project LITE (Light Inquiry Through Experiments) is a software, curriculum, and materials development project at Boston University. As part of the project, we are currently developing a suite of spectroscopic tools for astronomy education. We are also assessing their effectiveness in improving conceptual understanding of spectroscopic phenomena by astronomy students at the undergraduate level. The spectroscopy component of Project LITE includes take-home laboratory materials and experiments, which are integrated with web-based software. We have also developed a novel quantitative handheld binocular spectrometer (patent pending). Here we present an overview of the Project LITE homelab kits and curriculum, the Spectrum Explorer, and the Project LITE spectrometer. The homelab experiments and the Spectrum Explorer have been tested with students in a non-science majors introductory astronomy course as well as in a School of Education course for prospective elementary school science teachers. We present preliminary results of pre- and post-instruction surveys of student understanding of various spectral properties of light both from students who used the homelab activities and the Spectrum Explorer and those who did not. The Spectrum Explorer (along with many other applets about both the physical and

  11. Slitless Solar Spectroscopy

    NASA Astrophysics Data System (ADS)

    Kamalabadi, F.; Oktem, F. S.; Davila, J. M.

    2014-12-01

    Spectrometers provide our most detailed diagnostics of the solar coronal plasma, and spectral data is routinely used to measure the temperature, density, and flow velocity of coronal features. However, spectrographs suffer from a limited instantaneous field-of-view (FOV). Imaging instruments can provide a large FOV but offer only very limited spectral resolution. In this work, we present an instrument concept that combines the strengths of these two instrument classes, i.e., a large FOV and high spectral resolution. Our approach is based on computational imaging, which involves distributing the spectral imaging task between a physical and a computational system, and then digitally forming images of interest from multiplexed measurements by means of solving an inverse problem. In particular, a nonscanning spectral imaging technique is developed to enable performing spectroscopy over a two-dimensional instantaneous field-of-view. This technique combines a parametric estimation approach with a slitless spectrometer configuration. The associated inverse problem, which can be viewed as a multiframe image deblurring problem, is formulated in a Bayesian estimation framework and computationally efficient algorithms are designed to solve the resulting nonlinear optimization problems. Furthermore, statistical bounds are obtained to characterize the estimation uncertainties and performance limits, and to explore the optimized system design for specific observing requirements. We illustrate that such an instrument concept will facilitate the investigation of highly dynamic solar phenomena such as flares, CMEs, and transient brightening, with a significant reduction in hardware cost and complexity, but at an accuracy comparable with conventional designs.

  12. Why Spectroscopy Went South

    NASA Astrophysics Data System (ADS)

    Mills Boyd, Nora

    2015-01-01

    All but forgotten, the first observatory established for astrophysical research in Chile sits atop Cerro San Cristóbal overlooking downtown Santiago. Now called the Manuel Foster Observatory and cared for by the Pontificia Universidad Católica de Chile, the equipment was originally brought to the country by staff of the Lick Observatory in California at the outset of the 20th century under the auspices of the D. O. Mills Expedition. The present paper explores the initial motivation for the expedition. Partial insight can be gained by situating the establishment of the observatory in the context of the so-called 'sidereal problem'—mapping the structure of the stellar system. However, the motivation for this expedition can be further elucidated by understanding the possibilities afforded by the instruments of the 'new astronomy'. Astronomical spectroscopy opened up new observational prospects that turn of the century astronomers simply exploited opportunistically. Understanding the motivation for the observatory will not only be important background for any comprehensive history of the observatory, but also serves to illuminate the exploratory approach characteristic of American astronomers in the early days of astrophysics.

  13. Roaming and Spectroscopy

    NASA Astrophysics Data System (ADS)

    Bowman, Joel

    2014-06-01

    Accurate ab initio theoretical/computational work on dynamics and spectroscopy begins with a potential energy surface (PES). My talk therefore begins with a brief review of progress we have made in developing accurate ab initio global PESs for reaction dynamics. "Roaming" is an unusual alternate pathway to reaction products that was found in the unimolecular dissociation of H_2CO by running roughly 100 000 trajectories on such a PES. The signatures of roaming were seen in the spectroscopic detection of the rotational states of CO correlated with translational energy distribution of the H_2. I will discuss roaming in NO_3 photodissociation to NO+O_2 and give a short history of the topic. In particular I will recount how poor Franck-Condon factors in pioneering LIF detection experiments in 1997 of the low-lying vibrational states of O_2 plus the assumption of a "prior" vibrational distribution led to the wrong conclusions about the O_2 vibrational-state distribution. Later more sophisticated experiments obtained the correct vibrational distribution, which led to the (correct) speculation about roaming in this system. I conclude with some comments about roaming wavefunctions and will wonder aloud about ways to detect wavefunctions spectroscopically. (Roaming wavefunctions have been reported by Hua Guo and co-workers for the MgH_2.)

  14. Variable angle correlation spectroscopy

    SciTech Connect

    Lee, Young Kyo

    1994-05-01

    In this dissertation, a novel nuclear magnetic resonance (NMR) technique, variable angle correlation spectroscopy (VACSY) is described and demonstrated with 13C nuclei in rapidly rotating samples. These experiments focus on one of the basic problems in solid state NMR: how to extract the wealth of information contained in the anisotropic component of the NMR signal while still maintaining spectral resolution. Analysis of the anisotropic spectral patterns from poly-crystalline systems reveal information concerning molecular structure and dynamics, yet in all but the simplest of systems, the overlap of spectral patterns from chemically distinct sites renders the spectral analysis difficult if not impossible. One solution to this problem is to perform multi-dimensional experiments where the high-resolution, isotropic spectrum in one dimension is correlated with the anisotropic spectral patterns in the other dimensions. The VACSY technique incorporates the angle between the spinner axis and the static magnetic field as an experimental parameter that may be incremented during the course of the experiment to help correlate the isotropic and anisotropic components of the spectrum. The two-dimensional version of the VACSY experiments is used to extract the chemical shift anisotropy tensor values from multi-site organic molecules, study molecular dynamics in the intermediate time regime, and to examine the ordering properties of partially oriented samples. The VACSY technique is then extended to three-dimensional experiments to study slow molecular reorientations in a multi-site polymer system.

  15. BATSE spectroscopy results

    NASA Technical Reports Server (NTRS)

    Schaefer, Bradley E.; Teegarden, Bonnard J.; Cline, Thomas L.; Fishman, G. J.; Meegan, C. A.; Wilson, R. B.; Paciesas, W. S.; Pendleton, G. N.; Matteson, James L.

    1992-01-01

    We present preliminary analyses of gamma-ray burst spectra from the BATSE Spectroscopy Detectors. Our conclusions are: (1) No spectral lines have yet been detected in BATSE data from any cosmic gamma-ray burst. This is not surprising as the data for few bright bursts is available, and previous experiments saw lines in only a small fraction of the bursts. (2) Burst spectra show emission up to 20 MeV, with four of eight examined bursts having significant spectral breaks from 1 to 2 MeV. These breaks are consistent with opacity effects due to the interaction of photons with a high magnetic field. (3) Various distance independent parameters from burst spectra and time histories have no correlation with parameters related to distance. In other words, bright bursts look the same as faint bursts. This places a strong constraint on two population models of bursts. (4) The detection time of individual photons is not correlated from detector to detector, as predicted by Mitrofanov's pulsed emission model.

  16. Relic Neutrino Absorption Spectroscopy

    SciTech Connect

    Eberle, b

    2004-01-28

    Resonant annihilation of extremely high-energy cosmic neutrinos on big-bang relic anti-neutrinos (and vice versa) into Z-bosons leads to sizable absorption dips in the neutrino flux to be observed at Earth. The high-energy edges of these dips are fixed, via the resonance energies, by the neutrino masses alone. Their depths are determined by the cosmic neutrino background density, by the cosmological parameters determining the expansion rate of the universe, and by the large redshift history of the cosmic neutrino sources. We investigate the possibility of determining the existence of the cosmic neutrino background within the next decade from a measurement of these absorption dips in the neutrino flux. As a by-product, we study the prospects to infer the absolute neutrino mass scale. We find that, with the presently planned neutrino detectors (ANITA, Auger, EUSO, OWL, RICE, and SalSA) operating in the relevant energy regime above 10{sup 21} eV, relic neutrino absorption spectroscopy becomes a realistic possibility. It requires, however, the existence of extremely powerful neutrino sources, which should be opaque to nucleons and high-energy photons to evade present constraints. Furthermore, the neutrino mass spectrum must be quasi-degenerate to optimize the dip, which implies m{sub {nu}} 0.1 eV for the lightest neutrino. With a second generation of neutrino detectors, these demanding requirements can be relaxed considerably.

  17. Neutron Speed Echo Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ioffe, A.

    Neutron speed echo (NSPE) technique is in a way a generalization of the neutron spin echo (NSE) technique. Similar to NSE spectrometers, the resolution of such NSPE spectrometer is extremely high and is not connected with the monochromatization of the incoming beam. However, in contrast to NSE spectrometers, the operation of proposed spectrometer does not necessarily require a polarized neutron beam. Such decoupling the polarization and the resolution is in clear contrast to NSE technique. Because the resolution of a NSPE spectrometer can be a few orders higher than the resolution of NSE spectrometers, one can achieve the energy resolution of about 10-14 eV by the use of ultra cold neutrons; a fact that can be used in some fundamental physics experiments. Though the scattering on the sample impose limitations on the resolution of a NSPE spectrometer, the use of the proposed technique in a low-resolution mode can be useful in the combination with triple-axis spectrometers and allow for the significant improvement of their energy resolution, however, without the use of polarized neutrons. This fact opens new possibilities for the study of magnetic phenomena in solids, where the NSE method is principally not applicable because of the neutron precession in the sample, especially by combining polarization analysis with high-resolution spectroscopy. The proposed technique also allows for an easy implementation of the principle of the NSE focusing, when the resolution ellipse is aligned along a dispersion curve.

  18. Raman Spectroscopy of Cocrystals

    NASA Astrophysics Data System (ADS)

    Rooney, Frank; Reardon, Paul; Ochoa, Romulo; Abourahma, Heba; Marti, Marcus; Dimeo, Rachel

    2010-02-01

    Cocrystals are a class of compounds that consist of two or more molecules that are held together by hydrogen bonding. Pharmaceutical cocrystals are those that contain an active pharmaceutical ingredient (API) as one of the components. Pharmaceutical cocrystals are of particular interest and have gained a lot of attention in recent years because they offer the ability to modify the physical properties of the API, like solubility and bioavailability, without altering the chemical structure of the API. The APIs that we targeted for our studies are theophylline (Tp) and indomethacin (Ind). These compounds have been mixed with complementary coformers (cocrystal former) that include acetamide (AcONH2), melamine (MLM), nicotinic acid (Nic-COOH), 4-cyanopyridine (4-CNPy) and 4-aminopyridine (4-NH2Py). Raman spectroscopy has been used to characterize these cocrystals. Spectra of the cocrystals were compared to those of the coformers to analyze for peak shifts, specifically those corresponding to hydrogen bonding. A 0.5 m CCD Spex spectrometer was used, in a micro-Raman setup, for spectral analysis. An Argon ion Coherent laser at 514.5 nm was used as the excitation source. )

  19. Meson spectroscopy at COMPASS

    NASA Astrophysics Data System (ADS)

    Grube, Boris

    2016-11-01

    The goal of the COMPASS experiment at CERN is to study the structure and dynamics of hadrons. The two-stage spectrometer used by the experiment has large acceptance and covers a wide kinematic range for charged as well as neutral particles and can therefore measure a wide range of reactions. The spectroscopy of light mesons is performed with negative (mostly π-) and positive (p, π+) hadron beams with a momentum of 190 GeV/c. The light-meson spectrum is measured in different final states produced in diffractive dissociation reactions with squared four-momentum transfer t to the target between 0.1 and 1.0 (GeV=c)2. The flagship channel is the π-π-π+ final state, for which COMPASS has recorded the currently world's largest data sample. These data not only allow to measure the properties of known resonances with high precision, but also to observe new states. Among these is a new axial-vector signal, the a1(1420), with unusual properties. Novel analysis techniques have been developed to extract also the amplitude of the π-π+ subsystem as a function of 3π mass from the data. The findings are confirmed by the analysis of the π-π0π0 final state.

  20. Solar Neutrino Spectroscopy

    NASA Astrophysics Data System (ADS)

    Feilitzsch, F. v.

    1999-01-01

    Since the pioneering experiment of R. Davis et al., which started neutrino astronomy by measuring the solar neutrinos via the inverse beta decay reaction on 37Cl, all solar neutrino experiments find a considerably lower flux than expected by standard solar models. This finding is generally called the solar neutrino problem. Many attempts have been made to explain this result by altering the solar models, or assuming different nuclear cross sections for fusion processes assumed to be the energy sources in the sun. There have been performed numerous experiments recently to investigate the different possibilities to explain the solar neutrino problem. These experiments covered solar physics with helioseismology, nuclear cross section measurements, and solar neutrino experiments. Up to now no convincing explanation based on "standard" physics was suggested. However, assuming nonstandard neutrino properties, i.e. neutrino masses and mixing as expected in most extensions of the standard theory of elementary particle physics, natural solutions for the solar neutrino problem can be found. It appears that with this newly invented neutrino astronomy fundamental information on astrophysics as well as elementary particle physics are tested uniquely. In this contribution an attempt is made to review the situation of the neutrino astronomy for solar neutrino spectroscopy and discuss the future prospects in this field.

  1. Broadband transmission EPR spectroscopy.

    PubMed

    Hagen, Wilfred R

    2013-01-01

    EPR spectroscopy employs a resonator operating at a single microwave frequency and phase-sensitive detection using modulation of the magnetic field. The X-band spectrometer is the general standard with a frequency in the 9-10 GHz range. Most (bio)molecular EPR spectra are determined by a combination of the frequency-dependent electronic Zeeman interaction and a number of frequency-independent interactions, notably, electron spin - nuclear spin interactions and electron spin - electron spin interactions, and unambiguous analysis requires data collection at different frequencies. Extant and long-standing practice is to use a different spectrometer for each frequency. We explore the alternative of replacing the narrow-band source plus single-mode resonator with a continuously tunable microwave source plus a non-resonant coaxial transmission cell in an unmodulated external field. Our source is an arbitrary wave digital signal generator producing an amplitude-modulated sinusoidal microwave in combination with a broadband amplifier for 0.8-2.7 GHz. Theory is developed for coaxial transmission with EPR detection as a function of cell dimensions and materials. We explore examples of a doublet system, a high-spin system, and an integer-spin system. Long, straigth, helical, and helico-toroidal cells are developed and tested with dilute aqueous solutions of spin label hydroxy-tempo. A detection limit of circa 5 µM HO-tempo in water at 800 MHz is obtained for the present setup, and possibilities for future improvement are discussed.

  2. Infrared diode laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Civiš, S.; Cihelka, J.; Matulková, I.

    2010-12-01

    Three types of lasers (double-heterostructure 66 K InAsSb/InAsSbP laser diode, room temperature, multi quantum wells with distributed feedback (MQW with DFB) (GaInAsSb/AlGaAsSb based) diode laser and vertical cavity surface emitting lasers (VCSELs) (GaSb based) have been characterized using Fourier transform emission spectroscopy and compared. The photoacoustic technique was employed to determine the detection limit of formaldehyde (less than 1 ppmV) for the strongest absorption line of the v3 + v5 band in the emission region of the GaInAsSb/AlGaAsSb diode laser. The detection limit (less than 10 ppbV) of formaldehyde was achieved in the 2820 cm-1 spectral range in case of InAsSb/InAsSbP laser (fundamental bands of v1, v5). Laser sensitive detection (laser absorption together with high resolution Fourier transform infrared technique including direct laser linewidth measurement, infrared photoacoustic detection of neutral molecules (methane, form-aldehyde) is discussed. Additionally, very sensitive laser absorption techniques of such velocity modulation are discussed for case of laser application in laboratory research of molecular ions. Such sensitive techniques (originally developed for lasers) contributed very much in identifying laboratory microwave spectra of a series of anions (C6H-, C4H-, C2H-, CN-) and their discovery in the interstellar space (C6H-, C4H-).

  3. Spectroscopy Made Easy: Evolution

    NASA Astrophysics Data System (ADS)

    Piskunov, Nikolai; Valenti, Jeff A.

    2017-01-01

    Context. The Spectroscopy Made Easy (SME) package has become a popular tool for analyzing stellar spectra, often in connection with large surveys or exoplanet research. SME has evolved significantly since it was first described in 1996, but many of the original caveats and potholes still haunt users. The main drivers for this paper are complexity of the modeling task, the large user community, and the massive effort that has gone into SME. Aims: We do not intend to give a comprehensive introduction to stellar atmospheres, but will describe changes to key components of SME: the equation of state, opacities, and radiative transfer. We will describe the analysis and fitting procedure and investigate various error sources that affect inferred parameters. Methods: We review the current status of SME, emphasizing new algorithms and methods. We describe some best practices for using the package, based on lessons learned over two decades of SME usage. We present a new way to assess uncertainties in derived stellar parameters. Results: Improvements made to SME, better line data, and new model atmospheres yield more realistic stellar spectra, but in many cases systematic errors still dominate over measurement uncertainty. Future enhancements are outlined.

  4. Electrochemical Impedance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Retter, Utz; Lohse, Heinz

    Non-steady-state measuring techniques are known to be extremely suitable for the investigation of the electrode kinetics of more complex electrochemical systems. Perturbation of the electrochemical system leads to a shift of the steady state. The rate at which it proceeds to a new steady state depends on characteristic parameters (reaction rate constants, diffusion coefficients, charge transfer resistance, double-layer capacity). Due to non-linearities caused by the electron transfer, low-amplitude perturbation signals are necessary. The small perturbation of the electrode state has the advantage that the solutions of relevant mathematical equations used are transformed in limiting forms that are normally linear. Impedance spectroscopy represents a powerful method for investigation of electrical properties of materials and interfaces of conducting electrodes. Relevant fields of application are the kinetics of charges in bulk or interfacial regions, the charge transfer of ionic or mixed ionic-ionic conductors, semiconducting electrodes, the corrosion inhibition of electrode processes, investigation of coatings on metals, characterisation of materials and solid electrolyte as well as solid-state devices.

  5. Cars Spectroscopy of Propellant Flames

    DTIC Science & Technology

    1983-11-01

    Bele,:1t )"(vaiaable Copy AD AD-E4OI 102 TECMNICA._ REPORT ;RLCD-TR-83047 CARS SPECTROSCOPY Of PROPELLANT FLAMES L. E. HARRIS DTIC ii IELECTE0 "" NOV...4. TITLE (mid Subtitle) 5. TYPE OF REPORT & PERIOD COVERED CARS SPECTROSCOPY OF PROPELLANT FLAMES Final Ś. PERFORMING ORG. REPORT NUMBER 7. AUTHOR(a...ea•abo. Broadband CARS CARS spectra Spectroscopy Propellant *0AUINIACT (0w o roemtae 401 N uueedswr Mu $000tit? b7 61"k Auhee) Obtaining useful

  6. Cation Distribution and Magnetic Interactions in Substituted Iron-Containing Garnets: Characterization by Iron-57 Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Berry, Frank J.; Dávalos, Juan Z.; Gancedo, J. Ramón; Greaves, Colin; Marco, José F.; Slater, Peter; Vithal, Muga

    1996-02-01

    Some new compounds with garnet-related structures have been examined by57Fe Mössbauer spectroscopy. The results show that in compounds of the type YCa2SbFe4-xGaxO12(x= 2, 3) the gallium is distributed over both the octahedral and tetrahedral sites. In these compounds, together with materials of composition Y3-2xCa2xSbxFe5-xO12(x= 1.25, 1.5) and Y3-xCaxSnxFe5-xO12(x= 1, 2), the results show evidence of more than one tetrahedral environment for the Fe3+ions. The quadrupole splitting data for the Fe3+ions in tetrahedral sites in some of these compounds are significantly larger than those previously reported for Fe3+in tetrahedral sites in other garnets. The compounds YCa2SbFe4O12and Y2CaSnFe4O12magnetically order at similar temperatures and show comparable octahedral- and tetrahedral-hyperfine magnetic fields at 18 K. The substitution of Fe3+by diamagnetic Sb5+on the octahedral sites results in a considerable lowering of the magnetic ordering temperature. The compounds Y0.5Ca2.5Sb1.25Fe3.75O12and Ca3Sb1.5Fe3.5O12show magnetic ordering on both the octahedral and tetrahedral sublattices at 18 K. A similar effect is observed in the compound YCa2SbFe3GaO12where 33% of the Fe3+ions located at the tetrahedral sites are substituted by diamagnetic Ga3+ions. The importance ofa-dantiferromagnetic superexchange interactions is demonstrated in compounds of the type YCa2SbFe2Ga2O12and YCa2SbFeGa3O12where the Ga3+ions substitute the Fe3+ions on both the octahedral and tetrahedral sites. In these compounds the dilution of the magnetic ions at the tetrahedral sites results in the frustration of magnetic ordering on both thed- anda-sublattices. The compound YCa2Sn2Fe3O12which does not contain Fe3+on the octahedral sites shows magnetic ordering on thed-sublattice in the absence of magnetic ions on theasublattice. The result demonstrates the importance ofd-dantiferromagnetic superexchange interactions.

  7. Raman spectroscopy of piezoelectrics

    NASA Astrophysics Data System (ADS)

    Pezzotti, Giuseppe

    2013-06-01

    Raman spectroscopy represents an insightful characterization tool in electronics, which comprehensively suits the technological needs for locally and quantitatively assessing crystal structures, domain textures, crystallographic misalignments, and residual stresses in piezoelectric materials and related devices. Recent improvements in data processing and instrumental screening of large sampling areas have provided Raman spectroscopic evaluations with rejuvenating effectiveness and presently give spin to increasingly wider and more sophisticated experimental explorations. However, the physics underlying the Raman effect represents an issue of deep complexity and its applicative development to non-cubic crystallographic structures can yet be considered in its infancy. This review paper revisits some applicative aspects of the physics governing Raman emission from crystalline matter, exploring the possibility of disentangling the convoluted dependences of the Raman spectrum on crystal orientation and mechanical stress. Attention is paid to the technologically important class of piezoelectric materials, for which working algorithms are explicitly worked out in order to quantitatively extract both structural and mechanical information from polarized Raman spectra. Systematic characterizations of piezoelectric materials and devices are successively presented as applications of the developed equations. The Raman response of complex crystal structures, described here according to a unified formalism, is interpreted as a means for assessing both crystallographic textures and stress-related issues in the three-dimensional space (thus preserving their vectorial and tensorial nature, respectively). Statistical descriptions of domain textures based on orientation distribution functions are also developed in order to provide a link between intrinsic single-crystal data and data collected on polycrystalline (partly textured) structures. This paper aims at providing rigorous

  8. Precision Spectroscopy of Tellurium

    NASA Astrophysics Data System (ADS)

    Coker, J.; Furneaux, J. E.

    2013-06-01

    Tellurium (Te_2) is widely used as a frequency reference, largely due to the fact that it has an optical transition roughly every 2-3 GHz throughout a large portion of the visible spectrum. Although a standard atlas encompassing over 5200 cm^{-1} already exists [1], Doppler broadening present in that work buries a significant portion of the features [2]. More recent studies of Te_2 exist which do not exhibit Doppler broadening, such as Refs. [3-5], and each covers different parts of the spectrum. This work adds to that knowledge a few hundred transitions in the vicinity of 444 nm, measured with high precision in order to improve measurement of the spectroscopic constants of Te_2's excited states. Using a Fabry Perot cavity in a shock-absorbing, temperature and pressure regulated chamber, locked to a Zeeman stabilized HeNe laser, we measure changes in frequency of our diode laser to ˜1 MHz precision. This diode laser is scanned over 1000 GHz for use in a saturated-absorption spectroscopy cell filled with Te_2 vapor. Details of the cavity and its short and long-term stability are discussed, as well as spectroscopic properties of Te_2. References: J. Cariou, and P. Luc, Atlas du spectre d'absorption de la molecule de tellure, Laboratoire Aime-Cotton (1980). J. Coker et al., J. Opt. Soc. Am. B {28}, 2934 (2011). J. Verges et al., Physica Scripta {25}, 338 (1982). Ph. Courteille et al., Appl. Phys. B {59}, 187 (1994) T.J. Scholl et al., J. Opt. Soc. Am. B {22}, 1128 (2005).

  9. Broadband Transmission EPR Spectroscopy

    PubMed Central

    Hagen, Wilfred R.

    2013-01-01

    EPR spectroscopy employs a resonator operating at a single microwave frequency and phase-sensitive detection using modulation of the magnetic field. The X-band spectrometer is the general standard with a frequency in the 9–10 GHz range. Most (bio)molecular EPR spectra are determined by a combination of the frequency-dependent electronic Zeeman interaction and a number of frequency-independent interactions, notably, electron spin – nuclear spin interactions and electron spin – electron spin interactions, and unambiguous analysis requires data collection at different frequencies. Extant and long-standing practice is to use a different spectrometer for each frequency. We explore the alternative of replacing the narrow-band source plus single-mode resonator with a continuously tunable microwave source plus a non-resonant coaxial transmission cell in an unmodulated external field. Our source is an arbitrary wave digital signal generator producing an amplitude-modulated sinusoidal microwave in combination with a broadband amplifier for 0.8–2.7 GHz. Theory is developed for coaxial transmission with EPR detection as a function of cell dimensions and materials. We explore examples of a doublet system, a high-spin system, and an integer-spin system. Long, straigth, helical, and helico-toroidal cells are developed and tested with dilute aqueous solutions of spin label hydroxy-tempo. A detection limit of circa 5 µM HO-tempo in water at 800 MHz is obtained for the present setup, and possibilities for future improvement are discussed. PMID:23555819

  10. Solar neutrino spectroscopy

    NASA Astrophysics Data System (ADS)

    Wurm, Michael

    2017-04-01

    More than forty years after the first detection of neutrinos from the Sun, the spectroscopy of solar neutrinos has proven to be an on-going success story. The long-standing puzzle about the observed solar neutrino deficit has been resolved by the discovery of neutrino flavor oscillations. Today's experiments have been able to solidify the standard MSW-LMA oscillation scenario by performing precise measurements over the whole energy range of the solar neutrino spectrum. This article reviews the enabling experimental technologies: On the one hand multi-kiloton-scale water Cherenkov detectors performing measurements in the high-energy regime of the spectrum, on the other end ultrapure liquid-scintillator detectors that allow for a low-threshold analysis. The current experimental results on the fluxes, spectra and time variation of the different components of the solar neutrino spectrum will be presented, setting them in the context of both neutrino oscillation physics and the hydrogen fusion processes embedded in the Standard Solar Model. Finally, the physics potential of state-of-the-art detectors and a next generation of experiments based on novel techniques will be assessed in the context of the most interesting open questions in solar neutrino physics: a precise measurement of the vacuum-matter transition curve of electron-neutrino oscillation probability that offers a definitive test of the basic MSW-LMA scenario or the appearance of new physics; and a first detection of neutrinos from the CNO cycle that will provide new information on solar metallicity and stellar physics.

  11. Vibronic Spectroscopy of 4-ISOCYANOBENZONITRILE

    NASA Astrophysics Data System (ADS)

    Korn, Joseph A.; Mehta-Hurt, Deepali N.; Zwier, Timothy S.

    2013-06-01

    This talk will discuss the jet-cooled vibronic spectroscopy of 4-isocyanobenzonitrile (4IBN, CN-C_6H_4-CN) via resonant two-photon ionization, laser induced fluorescence, dispersed fluorescence, and UV-UV hole burning methods. Much of the vibronic spectroscopy of the molecule shows strong similarities with the symmetric structural isomers dicyano and di-isocyanobenzene. However, in 4IBN, we have identified a series of weak transitions extending well red of the ππ* origin. UV holeburning spectroscopy has been used to confirm that these transitions arise from the same ground state as the others, pointing to the presence of another electronic state. Based on comparison with other nitrilebenzenes, we postulate that the large dipole moment of 4IBN opens the possibility of a charge transfer (CT) state, much as occurs in para-amino substituted benzonitriles. The rich vibronic spectroscopy of this molecule will be explored using dispersed fluorescence.

  12. Spectroscopy: Mapping spins in flatland

    NASA Astrophysics Data System (ADS)

    Aharonovich, Igor; Jelezko, Fedor

    2017-04-01

    Nuclear quadrupole resonance spectroscopy is used to map the properties of atomically thin hexagonal boron nitride, with the help of the nitrogen-vacancy colour centres engineered in a diamond layer placed under the 2D material.

  13. Atomic spectroscopy for primary thermometry

    NASA Astrophysics Data System (ADS)

    Truong, G.-W.; Stuart, D.; Anstie, J. D.; May, E. F.; Stace, T. M.; Luiten, A. N.

    2015-10-01

    Spectroscopy has been a key driver and motivator of new understanding at the heart of physics. Here we describe high-precision measurements of the absorption lineshape of an atomic gas with an aim towards primary thermometry. We describe our progress in pushing this type of spectroscopy to the ultimate limit, in particular in describing experimental work with Rubidium and Cesium, although we also consider the potential for other elements in expanding the precision, accuracy and range of the approach. We describe the important technical and theoretical limits which need to be overcome in order to obtain accurate and precise results—these challenges are not unique to atomic spectroscopy but are likely to afflict all high precision spectroscopy measurements. We obtain a value for {{k}\\text{B}}=1.380 545(98)× {{10}-23} J K-1 where the 71 ppm uncertainty arises with difficulties in defining the Lorentzian component of the lineshape.

  14. Dual Comb Fourier Transform Spectroscopy

    NASA Astrophysics Data System (ADS)

    Hänsch, T. W.; Picqué, N.

    2010-06-01

    The advent of laser frequency combs a decade ago has already revolutionized optical frequency metrology and precision spectroscopy. Extensions of laser combs from the THz region to the extreme ultraviolet and soft x-ray frequencies are now under exploration. Such laser combs have become enabling tools for a growing tree of applications, from optical atomic clocks to attosecond science. Recently, the millions of precisely controlled laser comb lines that can be produced with a train of ultrashort laser pulses have been harnessed for highly multiplexed molecular spectroscopy. Fourier multi-heterodyne spectroscopy, dual comb spectroscopy, or asynchronous optical sampling spectroscopy with frequency combs are emerging as powerful new spectroscopic tools. Even the first proof-of-principle experiments have demonstrated a very exciting potential for ultra-rapid and ultra-sensitive recording of complex molecular spectra. Compared to conventional Fourier transform spectroscopy, recording times could be shortened from seconds to microseconds, with intriguing prospects for spectroscopy of short lived transient species. Longer recording times allow high resolution spectroscopy of molecules with extreme precision, since the absolute frequency of each laser comb line can be known with the accuracy of an atomic clock. The spectral structure of sharp lines of a laser comb can be very useful even in the recording of broadband spectra without sharp features, as they are e.g. encountered for molecular gases or in the liquid phase. A second frequency comb of different line spacing permits the generation of a comb of radio frequency beat notes, which effectively map the optical spectrum into the radio frequency regime, so that it can be recorded with a single fast photodetector, followed by digital signal analysis. In the time domain, a pulse train of a mode-locked femtosecond laser excites some molecular medium at regular time intervals. A second pulse train of different repetition

  15. X-ray astronomical spectroscopy

    NASA Technical Reports Server (NTRS)

    Holt, S. S.

    1980-01-01

    The current status of the X-ray spectroscopy of celestial X-ray sources, ranging from nearby stars to distant quasars, is reviewed. Particular emphasis is placed on the role of such spectroscopy as a useful and unique tool in the elucidation of the physical parameters of the sources. The spectroscopic analysis of degenerate and nondegenerate stellar systems, galactic clusters and active galactic nuclei, and supernova remnants is discussed.

  16. Ring resonant cavities for spectroscopy

    DOEpatents

    Zare, Richard N.; Martin, Juergen; Paldus, Barbara A.; Xie, Jinchun

    1999-01-01

    Ring-shaped resonant cavities for spectroscopy allow a reduction in optical feedback to the light source, and provide information on the interaction of both s- and p-polarized light with samples. A laser light source is locked to a single cavity mode. An intracavity acousto-optic modulator may be used to couple light into the cavity. The cavity geometry is particularly useful for Cavity Ring-Down Spectroscopy (CRDS).

  17. Ring resonant cavities for spectroscopy

    DOEpatents

    Zare, R.N.; Martin, J.; Paldus, B.A.; Xie, J.

    1999-06-15

    Ring-shaped resonant cavities for spectroscopy allow a reduction in optical feedback to the light source, and provide information on the interaction of both s- and p-polarized light with samples. A laser light source is locked to a single cavity mode. An intracavity acousto-optic modulator may be used to couple light into the cavity. The cavity geometry is particularly useful for Cavity Ring-Down Spectroscopy (CRDS). 6 figs.

  18. 3D Spectroscopy in Astronomy

    NASA Astrophysics Data System (ADS)

    Mediavilla, Evencio; Arribas, Santiago; Roth, Martin; Cepa-Nogué, Jordi; Sánchez, Francisco

    2011-09-01

    Preface; Acknowledgements; 1. Introductory review and technical approaches Martin M. Roth; 2. Observational procedures and data reduction James E. H. Turner; 3. 3D Spectroscopy instrumentation M. A. Bershady; 4. Analysis of 3D data Pierre Ferruit; 5. Science motivation for IFS and galactic studies F. Eisenhauer; 6. Extragalactic studies and future IFS science Luis Colina; 7. Tutorials: how to handle 3D spectroscopy data Sebastian F. Sánchez, Begona García-Lorenzo and Arlette Pécontal-Rousset.

  19. Photoacoustic Spectroscopy for Chemical Detection

    DTIC Science & Technology

    2012-09-01

    micropipette onto a single photoresist-coated substrate. The substrate was oriented to allow complete coverage by the glycerol/ water solution. Following...pulse laser-induced photoacoustics," Anal. Chem. 70, 3, 651 ( 1998 ). [10] M. H. Xu and L. H. V. Wang, "Photoacoustic imaging in biomedicine," Rev. Sci...1976). [25] A. C. Tam, "Photoacoustics: Spectroscopy and other applications", in Ultrasensitive Laser Spectroscopy, D. S. Klinger , Ed. (Academic

  20. Infrared spectroscopy of comets

    NASA Technical Reports Server (NTRS)

    Disanti, Michael A.; Mumma, M. J.; Hoban, S. M.; Reuter, D.; Espenak, F.; Storrs, A. D.; Lacy, J.; Parmar, R.; Joyce, R.

    1990-01-01

    An observational search for cometary parent molecules using infrared spectroscopy was conducted in the 1 to 5 micron region. The investigation involved two different observing programs, one at moderate spectral resolution and one at fairly high resolution. The lower resolution was used to study cometary spectra in the vicinity of 3.5 micron at wavelength/change in wavelength is approximately or equal to 10(exp 3). Comets P/Brorsen-Metcalf (1989o), Okazaki-Levy-Rudenko (1989r), and Austin (1990c1) were observed with the Cryogenic Spectrometer (CRSP) at Kitt Peak. The detector incorporated an InSb array with 58 spatial elements, each 2.7 min on the sky, and 62 spectral channels per spatial element. An, as yet, unidentified feature was detected at approximately 3.52 micron in Comet Austin (on 1990 May 4, 5, and 6). The feature is possibly present in P/Brorsen-Metcalf (observed on 1989 August 23 and 25), as well. Comet Okazaki-Levy-Rudenko exhibited continuum emission only in this spectral region at the time of the observations (1989 November 14 and 16). The data are presented, and the relationship between the 3.52 micron feature and cometary activity (e.g., water production rate, visibility of the 3.4 micron emission feature) are discussed. The high resolution program probed comet Austin in the 4.8 micron region. These observations were used to search for emission lines comprising the (1-0) vibration-rotation band of the ground electronic state of CO. Retrieval of the lines allows a probe of the population distribution of levels J' = 1 through 4 of the excited (v' = 1) vibrational state within the ground electronic state of CO. Knowledge of this distribution can be used to constrain the rotational temperature. Preliminary analysis suggests the P3 line was present UT May 16 at roughly the 5 sigma level. Results concerning the existence of other lines, and physical conditions inferred therefrom are discussed.