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

    SciTech Connect

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

    2010-05-15

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

  3. 57Fe-labeled octamethylferrocenium tetrafluoroborate. X-ray crystal structures of conformational isomers, hyperfine interactions, and spin-lattice relaxation by Moessbauer spectroscopy.

    PubMed

    Schottenberger, Herwig; Wurst, Klaus; Griesser, Ulrich J; Jetti, Ram K R; Laus, Gerhard; Herber, Rolfe H; Nowik, Israel

    2005-05-11

    X-ray structure determinations of two different single crystals of octamethylferrocenium tetrafluoroborate (OMFc(+)BF(4)(-)) revealed conformational polymorphism with ligand twist angles of 180 degrees and 108 degrees , respectively. Their concomitant occurrence could be explained by the small lattice energy difference of 3.2 kJ mol(-1). Temperature-dependent Moessbauer spectroscopy of (57)Fe-labeled OMFc(+)BF(4)(-) over the range 90 < T < 370 K did not show the anomalous sudden increase in the motion of the metal atom as observed in neutral OMFc. Broadened absorption curves characteristic of relaxation spectra were obtained with an isomer shift of 0.466(6) mm s(-1) at 90 K. The temperature dependence of the isomer shift corresponded to an effective vibrating mass of 79 +/- 10 Da and, in conjunction with the temperature dependence of the recoil-free fraction, to a Moessbauer lattice temperature of 89 K. The spin relaxation rate could be better described by an Orbach rather than a Raman process. At 400 K, a reversible solid-solid transition to a plastic crystalline mesophase was noted. PMID:15869302

  4. Metal valences in electron-doped (Sr,La){sub 2}FeTaO{sub 6} double perovskite: A {sup 57}Fe Moessbauer spectroscopy study

    SciTech Connect

    Rautama, E.-L.; Linden, J.; Yamauchi, H.; Karppinen, M.

    2007-02-15

    Substitution of divalent Sr by trivalent La is found to affect the valence states of both of the two B-site cations, Fe and Ta, in the double perovskite oxide (Sr{sub 1-} {sub x} La {sub x} ){sub 2}FeTaO{sub 6}. Moreover, it improves the degree of order of these cations. From {sup 57}Fe Moessbauer spectra the average Fe valence was found to decrease with increasing La substitution level, x. However, the valence of Fe decreased less than expected if the valence of Ta was assumed to remain constant. Hence, we conclude that also the valence of Ta decreases. - Graphical abstract: Both the degree of order and the valence states of Fe and Ta are controlled in the (Sr{sub 1-} {sub x} La {sub x} ){sub 2}FeTaO{sub 6} double perovskite oxide through aliovalent La{sup III}-for-Sr{sup II} substitution.

  5. 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.

  6. 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.

  7. {sup 57}Fe and {sup 119}Sn Moessbauer Effect Study of Fe-Sn-B Amorphous Alloys

    SciTech Connect

    Miglierini, M.; Rusakov, V. S.

    2010-07-13

    Ribbons of Fe{sub 100-x}Sn{sub 5}B{sub x} (x = 15, 17, 20) metallic glass are studied using {sup 57}Fe and {sup 119}Sn Moessbauer spectrometry. The obtained Moessbauer spectra are evaluated by distributions of hyperfine magnetic fields in addition to crystalline components. The as-quenched alloys are XRD amorphous for x =15 and 17 whereas for x =20, traces of quenched-in crystallites are revealed. Progress of crystallization is followed on samples annealed for 30 min at temperatures that cover the first crystallization peak. The evolution of crystalline fraction as well as average values of hyperfine magnetic fields and isomer shifts are discussed as a function of the alloy composition and temperature of annealing.

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

    SciTech Connect

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

    2009-01-15

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

  9. 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}.

  10. 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.

  11. 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

  12. 57Fe Moessbauer Spectroscopic Investigations on the Brownmillerite Series Ca2(Fe2-xAlx)O5

    SciTech Connect

    Redhammer, G.J.; Roth, G.

    2005-04-26

    Several compounds along the Brownmillerite solid solution series Ca2Fe2-xAlxO5 with 0.0 {<=} x {<=} 1.34 have been synthesized by slow cooling from the melt and subsequent quenching. These samples were studied by Moessbauer spectroscopy at different absorber temperatures. Samples up to x = 1.00 are antiferromagnetically ordered at room temperature and can be evaluated by one octahedral and one tetrahedral magnetically split subspectra. With increasing temperature or increasing Al3+-content, respectively, the local magnetic fields decrease and finally collapse (TN = 518 K for x = 0.0 and TN = 298 K for x = 1.06, respectively). Despite the change of space group symmetry, quadrupole splittings at both positions increase almost linearly with increasing Al3+-content. This can be referred to structural changes reported. Even at low Al3+-contents, there always is a distribution of Fe3+ and Al3+ over the tetrahedral and octahedral positions in contrast to earlier results. Fe3+ prefers the octahedral and Al3+ prefers the tetrahedral positions.

  13. /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.

  14. 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.

  15. 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.

  16. 57FE Mössbauer spectroscopy studies of Tektites from Khon Kaen, Ne Thailand

    NASA Astrophysics Data System (ADS)

    Costa, B. F. O.; Klingelhöfer, G.; Alves, E. I.

    2014-01-01

    Room temperature 57Fe Mössbauer effect spectroscopy has been used to investigate the local Fe environment in a set of indochinite tektites from Thailand. A MIMOS II spectrometer in backscattering geometry has been used in the study, so that no sample preparation at all was required. The spectra have been analysed in terms of discrete spectral components using Voigt functions. The results are similar to those obtained with analysis done with quadrupole splitting distributions. In all cases the Mössbauer spectra show a broadened asymmetric quadrupole split doublet. The Fe 2+ sites have been distinguished in Fe with octahedral and tetrahedral coordination. The Fe3+ /Fe2+ and Fe2+ tetrahedral/octahedral ratios have been determined from the relative areas of the various spectral components. Their values have been discussed in the light of actual literature.

  17. Short-range order in iron alloys studied by 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2013-04-01

    The room temperature Mössbauer spectra of 57Fe were measured for dilute iron-based solid solutions FeD (D=Co, Cr, Mn, Mo, Ni, Pt, Re, Ti). Analysis of the obtained spectra gave clear evidence that the distribution of impurity atoms in the two first coordination shells of 57Fe nuclei is not homogenous and it cannot be described in terms of binomial distribution. Quantitatively, the effects were described in terms of the short-range order parameters.

  18. Synchrotron-Radiation-Based Moessbauer Spectroscopy

    SciTech Connect

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

    2009-05-29

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

  19. 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.

  20. {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.

  1. 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.

  2. The Use of Moessbauer Spectroscopy in Metallurgy

    SciTech Connect

    Forder, S.D.

    2005-04-26

    This review will present examples of the varied way in which Moessbauer spectroscopy has been used, with complementary analytical techniques, to gain information about metals and alloys, with cases chosen to illustrate how this information can be valuable to industry.The Moessbauer investigations reviewed have been divided into three categories:1) Monitoring the effect of deliberate modification of the metal by processing, either at the pre-treatment stage, e.g. metal ion etching of steel surfaces prior to coating or during the modification of structure and properties, such as the formation of Al-Fe surface alloys formed by ion implantation of Fe in Al.2) Monitoring changes in the metal not caused deliberately, i.e. the side-effects of processing. Examples reviewed include Moessbauer studies of reactor steels, and phase transformation during intensive plastic deformation. Also the Moessbauer Effect has helped to determine the cause of staining occurring on electrogalvanized steel.3) Obtaining information to enable fundamental understanding of metals and alloys. These examples include Moessbauer spectroscopy used to study the formation of intermetallic phases in industrial alloys, the influence of metal ions on iron oxide rusts and the study of quasi-crystalline alloys.The information gained has helped the improvement of properties, the monitoring of changes in structures, as well as the development of fundamental understanding of metals and alloys.

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

    SciTech Connect

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

    2014-10-27

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

  4. 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.

  5. 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.

  6. 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.

  7. 57 Fe Mössbauer spectroscopy studies of chondritic meteorites from the Atacama Desert, Chile: Implications for weathering processes

    NASA Astrophysics Data System (ADS)

    Munayco, P.; Munayco, J.; Valenzuela, M.; Rochette, P.; Gattacceca, J.; Scorzelli, R. B.

    2014-01-01

    Some terrestrial areas have climatic and geomorphologic features that favor the preservation, and therefore, accumulation of meteorites. The Atacama Desert in Chile is among the most important of such areas, known as dense collection areas. This desert is the driest on Earth, one of the most arid, uninhabitable locals with semi-arid, arid and hyper-arid conditions. The meteorites studied here were collected from within the dense collection area of San Juan at the Central Depression and Coastal Range of Atacama Desert. 57Fe Mössbauer spectroscopy was used for quantitative analysis of the degree of weathering of the meteorites, through the determination of the proportions of the various Fe-bearing phases and in particular the amount of oxidized iron in the terrestrial alteration products. The abundance of ferric ions in weathered chondrites can be related to specific precursor compositions and to the level of terrestrial weathering. The aim of the study was the identification, quantification and differentiation of the weathering products in the ordinary chondrites found in the San Juan area of Atacama Desert.

  8. 57Fe emission Mössbauer spectroscopy following dilute implantation of 57Mn into In 2O3

    NASA Astrophysics Data System (ADS)

    Mokhles Gerami, A.; Johnston, K.; Gunnlaugsson, H. P.; Nomura, K.; Mantovan, R.; Masenda, H.; Matveyev, Y. A.; Mølholt, T. E.; Ncube, M.; Shayestehaminzadeh, S.; Unzueta, I.; Gislason, H. P.; Krastev, P. B.; Langouche, G.; Naidoo, D.; Ólafsson, S.

    2016-12-01

    Emission Mössbauer spectroscopy has been utilised to characterize dilute 57Fe impurities in In 2O3 following implantation of 57Mn ( T 1/2 = 1.5 min.) at the ISOLDE facility at CERN. From stoichiometry considerations, one would expect Fe to adopt the valence state 3 + , substituting In 3+, however the spectra are dominated by spectral lines due to paramagnetic Fe2+. Using first principle calculations in the framework of density functional theory (DFT), the density of states of dilute Fe and the hyperfine parameters have been determined. The hybridization between the 3d-band of Fe and the 2p band of oxygen induces a spin-polarized hole on the O site close to the Fe site, which is found to be the cause of the Fe2+ state in In 2O3. Comparison of experimental data to calculated hyperfine parameters suggests that Fe predominantly enters the 8b site rather than the 24d site of the cation site in the Bixbyite structure of In 2O3. A gradual transition from an amorphous to a crystalline state is observed with increasing implantation/annealing temperature.

  9. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2010-03-01

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

  11. 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

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

    NASA Astrophysics Data System (ADS)

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

    2010-06-01

    Iron in various iron-oxide aerogel and xerogel catalyst formulations (≥85% Fe 2O 3; ≤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 57Fe 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, χeff/ 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 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 the Hägg carbide, χ-Fe 5C

  13. Hyperfine fields at 57Fe in dilute iron-based alloys determined by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

    The room temperature Mössbauer spectra of 57Fe were measured for several dilute iron-based alloys, Fe1-xDx (D = Co, Cr, Mn, Mo, Pt, Re, Ta, V, W), annealed at 1270 K for 2 h before the measurements. The analysis of the spectra shows that the effective hyperfine field B at 57Fe nuclei depends on the concentration x of the minority component of the alloys under consideration and the dependence is different for iron nuclei having unlike numbers of impurities in their neighbourhood. The latter is at variance with previously published data, which suggest that the general B(x) dependence is common for all impurity configurations present in the vicinity of iron nuclei.

  14. Provenance study of obsidians from the archaeological site of La Maná (Ecuador) by electron spin resonance (ESR), SQUID magnetometry and 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Duttine, M.; Scorzelli, R. B.; Poupeau, G.; Bustamante, A.; Bellido, A. V.; Lattini, R. M.; Guillaume-Gentil, N.

    2007-02-01

    Obsidians from major Ecuadorian sources (outcrops) were analyzed by electron spin resonance, SQUID magnetometry and 57Fe Mössbauer spectroscopy. If the last technique allows to discriminate obsidians from the Quiscatola source, an association of ESR with SQUID magnetometry permits to differentiate obsidians from the sources of Cotopaxi volcano, from the Quiscatola and Mullumica-Callejones sources of the Chacana caldera and to infer that the 12 analyzed obsidians from the pre-Hispanic site of La Maná come from the Mullumica-Callejones source.

  15. Moessbauer Spectroscopy on the Martian Surface: Predictions

    NASA Technical Reports Server (NTRS)

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

    2003-01-01

    Moessbauer spectrometers will be used on the upcoming MER/Athena and Mars Express/ Beagle 2 landers to identify and quantify relative amounts of iron-bearing minerals and determine Fe3+/Fe2+ ratios, allowing more realistic modeling of Martian mineralogy and geochemistry. To properly interpret the spectra acquired by these instruments, we must understand the Mossbauer parameters of minerals that we might expect to find on Mars. We present here a summary of predicted Fe-bearing minerals that might be observed by the MER Moessbauer spectrometers, based upon previous and our own on-going work.

  16. Synthesis and vibrational spectroscopy of 57Fe-labeled models of [NiFe] hydrogenase: first direct observation of a nickel–iron interaction† †Electronic supplementary information (ESI) available: Experimental procedures, spectral data, computational chemistry details, animated vibrational modes as GIFs. See DOI: 10.1039/c4cc04572f Click here for additional data file. Click here for additional data file.

    PubMed Central

    Pelmenschikov, Vladimir; Wang, Hongxin; Meier, Florian; Gee, Leland B.; Yoda, Yoshitaka; Kaupp, Martin; Rauchfuss, Thomas B.

    2014-01-01

    A new route to iron carbonyls has enabled synthesis of 57Fe-labeled [NiFe] hydrogenase mimic (OC)3 57Fe(pdt)Ni(dppe). Its study by nuclear resonance vibrational spectroscopy revealed Ni–57Fe vibrations, as confirmed by calculations. The modes are absent for [(OC)3 57Fe(pdt)Ni(dppe)]+, which lacks Ni–57Fe bonding, underscoring the utility of the analyses in identifying metal–metal interactions. PMID:25237680

  17. 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.

  18. Features of the Quantitative Analysis in Moessbauer Spectroscopy

    SciTech Connect

    Semenov, V. G.; Panchuk, V. V.; Irkaev, S. M.

    2010-07-13

    The results describing the effect of different factors on errors in quantitative determination of the phase composition of studied substances by Moessbauer spectroscopy absorption are presented, and the ways of using them are suggested. The effectiveness of the suggested methods is verified by an example of analyzing standard and unknown compositions.

  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. 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.

  1. Remarkable improvement of the signal-to-noise ratio of 57Mn/ 57Fe in-beam Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2011-02-01

    In-beam Mössbauer spectroscopy utilizing unstable 57Mn beams is a powerful method to extract physical and chemical properties at the atomic scale. A parallel plate avalanche counter (PPAC), optimized to detect conversion electrons generated by the Mössbauer effect, can be employed to suppress higher-energy background γ rays. However, β rays are emitted by the 57Mn parent nuclei of 57Fe, which can significantly degrade the spectrum quality. In the present work, we have developed a new anti-coincidence-detection system with a thin plastic scintillation counter (0.5 mmt), which can be used to detect β rays and reject them from the recorded PPAC events. To demonstrate the anti-coincidence system, we carried out Mössbauer spectroscopy utilizing 57Mn nuclei that were implanted into a non-magnetic aluminum metal plate at room temperature. Using the anti-coincidence method, we obtained a typical Mössbauer spectrum of high quality, despite a very low number of implanted 57Mn atoms, of ˜5 × 10 9. The signal to noise ratio of the obtained spectrum was increased remarkably, and the relative peak height above the baseline increased from 10% to 220% using the anti-coincidence method. The developed detection system is applicable to investigation of in situ properties, and avoids the potentially problematic agglomeration of probes in a sample.

  2. 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.

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

    SciTech Connect

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

    2012-10-15

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

  4. Fe-57 Moessbauer Spectroscopy of Fulgurites: Implications for Chemical Reduction

    NASA Technical Reports Server (NTRS)

    Sheffer, A. A.; Dyar, M. D.

    2004-01-01

    The high temperature (superliquidus) processing of silicates often results in very reduced products, such as Si-bearing Fe metal in type-1 chondrules and in lunar regolith agglutinates. Previous work on fulgurites (the glassy products of the lightning strike fusion of sand, soil, or rock) found silicon metal and iron-silicon alloys inside the silicate glass. The mechanism for this extreme reduction is not yet understood. In this work, we begin a Fe-57 Moessbauer spectroscopy study as well as continuing a microprobe study of several fulgurites in order to better constrain the extent and process of Fe reduction.

  5. High pressure Moessbauer spectroscopy in diamond anvil cells

    SciTech Connect

    Taylor, R.D. ); Pasternak, M.P. . School of Physics and Astronomy Los Alamos National Lab., NM )

    1991-01-01

    Diamond anvil cells provide a means to obtain near-hydrostatic pressures from the kilobar to the megabar regime. Moessbauer spectroscopy (MS) nicely complements the optical and X-ray measurements usually made. After a brief summary of the techniques applicable to MS, we present several examples of high pressure MS including hysteresis in the {sub {alpha}}-{sub {var epsilon}} transition in Fe, metallization in molecular crystals and the insulator-metal Mott transition in NiI{sub 2} and CoI{sub 2}. 25 refs., 7 figs.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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

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

    DOE PAGESBeta

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

    2016-01-21

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

  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. 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).

  17. Electronic structure of the unique [4Fe-3S] cluster in O2-tolerant hydrogenases characterized by 57Fe Mossbauer and EPR spectroscopy.

    PubMed

    Pandelia, Maria-Eirini; Bykov, Dmytro; Izsak, Robert; Infossi, Pascale; Giudici-Orticoni, Marie-Thérèse; Bill, Eckhard; Neese, Frank; Lubitz, Wolfgang

    2013-01-01

    Iron-sulfur clusters are ubiquitous electron transfer cofactors in hydrogenases. Their types and redox properties are important for H(2) catalysis, but, recently, their role in a protection mechanism against oxidative inactivation has also been recognized for a [4Fe-3S] cluster in O(2)-tolerant group 1 [NiFe] hydrogenases. This cluster, which is uniquely coordinated by six cysteines, is situated in the proximity of the catalytic [NiFe] site and exhibits unusual redox versatility. The [4Fe-3S] cluster in hydrogenase (Hase) I from Aquifex aeolicus performs two redox transitions within a very small potential range, forming a superoxidized state above +200 mV vs. standard hydrogen electrode (SHE). Crystallographic data has revealed that this state is stabilized by the coordination of one of the iron atoms to a backbone nitrogen. Thus, the proximal [4Fe-3S] cluster undergoes redox-dependent changes to serve multiple purposes beyond classical electron transfer. In this paper, we present field-dependent (57)Fe-Mössbauer and EPR data for Hase I, which, in conjunction with spectroscopically calibrated density functional theory (DFT) calculations, reveal the distribution of Fe valences and spin-coupling schemes for the iron-sulfur clusters. The data demonstrate that the electronic structure of the [4Fe-3S] core in its three oxidation states closely resembles that of corresponding conventional [4Fe-4S] cubanes, albeit with distinct differences for some individual iron sites. The medial and distal iron-sulfur clusters have similar electronic properties as the corresponding cofactors in standard hydrogenases, although their redox potentials are higher. PMID:23267108

  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. The 57Fe hyperfine interactions in the iron bearing phases in different fragments of Chelyabinsk LL5 meteorite: a comparative study using Mössbauer spectroscopy with a high velocity resolution

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

    A comparative study of the 57Fe hyperfine interactions in iron bearing phases of Chelyabinsk LL5 ordinary chondrite fragments with different lithology was carried out using Mössbauer spectroscopy with a high velocity resolution. The obtained values of hyperfine parameters for the same iron bearing phases in different fragments demonstrated small variations. These differences were related to small variations in the Fe local microenvironments in both M1 and M2 sites in olivine and pyroxene, to deviation from stoichiometry in troilite with increase in Fe vacancies and to differences in Ni concentrations in α-Fe(Ni, Co) and γ-Fe(Ni, Co) phases in the metal grains. The obtained differences may indicate a breccia structure of Chelyabinsk LL5 ordinary chondrite.

  20. 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.

  1. Electron proportional gas counter for linear and elliptical Moessbauer polarimetry

    SciTech Connect

    Tancziko, F.; Sajti, Sz.; Deak, L.; Merkel, D. G.; Endro''czi, G.; Nagy, D. L.; Bottyan, L.; Olszewski, W.; Szymanski, K.

    2010-02-15

    Design, characterization, and selected applications of a novel electron detector dedicated to conventional perpendicular- and low-angle-incidence conversion electron Moessbauer spectroscopy are presented. The setup is suitable for varying the incident angle and external magnetic fields on Moessbauer source and absorber. Test experiments were performed on {alpha}-{sup 57}Fe films using a conventional single-line {sup 57}Co(Rh) and magnetically split, {sup 57}Co({alpha}-Fe) Moessbauer sources. The integral ''blackness effect'' in conversion-electron Moessbauer spectra of {sup 57}Fe isotope-enriched absorbers is demonstrated and shown to be pronounced at shallow angles of incidence. In order to determine the alignment and sign of the hyperfine field in an isotope-enriched absorber, the blackness effect is accounted for in a semiempirical way by using single-line source/absorber experimental relative intensities determined independently. This method works with high accuracy for linear polarimetry; however it is only a rough approximation in the case of nearly circular polarimetry.

  2. 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

  3. Synthesis and investigation of iron (II) dioximates with arsine derivatives by Moessbauer and IR spectroscopy

    SciTech Connect

    Zubareva, V.E.; Turte, K.I.; Shafranskii, V.N.; Bulgak, I.I.; Batyr, D.G.; Stukan, R.A.

    1988-06-01

    New compounds with the formula (Fe/sup II/(dioximate)/sub 2/L/sub 2/), where dioximate stands for monodeprotonated anions of dimethylglyoxime (dmgH), diphenylglyoxime (dfgH), 1,2-cyclohexanedione dioxime (nioxH), and ..cap alpha..-furildioxime (furgH), and L stands for di-n-butylphenylarsine (AsBut/sub 2/Ph) and triethylarsine (AsEt/sub 3/), have been investigated by Moessbauer and IR spectroscopy. The Moessbauer spectra of the compounds indicated at 80 and 300/sup 0/K consist of doublets, whose parameters correspond to the low-spin state of iron (II).

  4. Material Research Using Moessbauer Spectroscopy With Exotic Nuclei

    SciTech Connect

    Kobayashi, Y.

    2009-05-04

    We have succeeded to obtain in-beam Moessbauer spectra using a short-lived {sup 57}Mn (T{sub 1/2} = 1.45 min) probes implanted into some different types of samples, in order to study the chemical states of the excited atoms produced just after nuclear decays and/or the dynamic behaviors of isolated single atoms in a semiconductor. {sup 57}Mn was produced as a radioactive beam following a nuclear projectile-fragmentation reaction of {sup 58}Fe{sup 21+} beams (E = 63 MeV/nucleon) with Be production target, and separated by the in-flight isotope separator at the accelerators in RIKEN Nishina Center. From the temperature dependence of obtained Moessbauer parameters of the isomer shift (I.S.), the quadrupole splitting (Q.S.), and the linewidth (I), the chemical species and the dynamic behavior of the isolated atoms could be discussed. The in-beam Moessbauer technique combined with a short-lived RI beam is a very powerful tool to investigate the products after nuclear transformations and the dynamics of dilute impurities in solids.

  5. Moessbauer spectroscopy studies of carbon-encapsulated magnetic nanoparticles obtained by different routes

    SciTech Connect

    Bystrzejewski, M.; Huczko, A.; Lange, H.; Grabias, A.; Borysiuk, J.

    2008-09-01

    Carbon-encapsulated magnetic nanoparticles (CEMNPs) are nanomaterials with a core-shell structure. Their intrinsic properties result both from the unique nature of the encapsulated magnetic phases and the high chemical stability of the external carbon shells. CEMNPs may find many prospective applications, e.g., in magnetic data storage, catalysis, xerography, magnetic resonance imaging, and in biomedical applications. Herein, we present detailed structural studies of such nanostructures by Moessbauer spectroscopy, x-ray diffraction (XRD), scanning electron microscopy, and transmission electron microscopy. CEMNPs have been obtained by three different techniques: carbon arc, combustion synthesis, and radio frequency thermal plasma. The evaluation of the phase composition of the products was strongly limited due to the broadening and overlapping of the lines in XRD diffraction patterns. The presence of the semicrystalline phases, which could not been identified by XRD, was established by Moessbauer spectroscopy. Furthermore, the magnetic core phase composition was evaluated quantitatively. The products were purified before structural analyses to remove the nonencapsulated particles. The purification caused significant changes in the mass and the saturation magnetization. The Moessbauer spectra of the purified products were compared with the literature data concerning the as-produced CEMNPs.

  6. Elementary diffusion jump of iron atoms in intermetallic phases studied by Moessbauer spectroscopy; 1: Fe-Al close to equiatomic stoichiometry

    SciTech Connect

    Vogl, G.; Sepiol, B. . Inst. fuer Festkoerperphysik)

    1994-09-01

    The authors have studied the quasielastic broadening of the [sup 57]Fe Moessbauer resonance in the intermetallic compound FeAl in order to determine the diffusion jump mechanism of the Fe atoms. From the angular dependence of the line broadening relative to an oriented single crystal they deduce that the Fe atoms jump effectively to different neighbor sites on the Fe sublattice. The jump is, however, not a direct one, but rather a combination of a jump into a nearest neighbor vacancy--leading to short-time occupation of an antistructure site on the Al sublattice--and a jump into a vacancy back on the Fe sublattice.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-04-01

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

  12. 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.

  13. Chemical decomposition of iron in Spanish coal pyrolysis identified by Moessbauer spectroscopy at different temperatures

    SciTech Connect

    Ahmed, M.A.; Blesa, M.J.; Moliner, R.

    2007-07-01

    Three chars from lignite (Se), sub bituminous (AA6), bituminous (BCA) Spanish coals produced at 673 K, 773 K, and 873 K were analyzed by Moessbauer spectroscopy at room temperature, and 80 K, except BCA char produced at 873 K, its analysis was extended down to 10 K. Least square fit analysis for the spectra of Se chars showed that, jarosite/Fe{sup 3+} was hydrolyzed into rozenite/Fe2+ at 873 K. Pyrite was reduced to troilite (FeS) at 773 K. Both jarosite and very broad doublet were observed at T = 673 K. The hyperfine parameters of this phase gave close values to microcrystalline iron in either Fe (II) or Fe (III) states. On the other hand, the spectral analysis of AA6 chars ascertained that rozenite was hydrolyzed to goethite (FeOOH) in the range of 773 K-873 K, whereas pyrite was reduced to pyrrohotite (Fe{sub 1-x}S). However, no chemical changes were observed for jarosite in all AA6-chars. Likewise, siderite was changed into magnetite in the BCA chars produced at 673 K and 773 K. Spectrum performed at 10 K for char produced at 873 K proved the presence of ferrihydrite (H = 489.2 kOe), troilite (H = 355.3 kOe) and a broad paramagnetic doublet belonging to an organic iron. These phases and still remaining siderite inferred also that such transformations are incomplete.

  14. 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.

  15. 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.

  16. Synthesis of iron(II) dioximates with phosphine derivatives and their investigation by Moessbauer and IR spectroscopy

    SciTech Connect

    Turte, K.I.; Zubareva, V.E.; Shafranskii, V.N.; Bulgak, I.I.; Batyr, D.G.; Timokhin, B.V.; Dmitriev, V.I.

    1988-03-01

    Newly synthesized compounds with the general formula (Fe/sup II/(dioxH)/sub 2/L/sub 2/), where dioxH stands for the monodeprotonated anions of dimethylglyoxime (dmgH) diphenylglyoxime (dpgH), 1,2-cyclohexanedione dioxime (nioxH), and ..cap alpha..-furildioxime (furgH), and L stands for n-butyldiphenylphosphine (PBuPh/sub 2/) and di-n-butylphenylphosphine (PBu/sub 2/Ph), have been investigated by Moessbauer and IR spectroscopy. The Moessbauer spectra of all the compounds at 80 and 300/sup 0/K consist of doublets, whose parameters correspond to the low-spin state of iron(II). The replacement of an axial ligand of PPh/sub 3/ by PBuPh/sub 2/ or PBu/sub 2/Ph results in a decreasing the magnitude of the quadrupole splitting by approx. 30%. It has been found that PBuPh/sub 2/ and PBu/sub 2/Ph have stronger sigma-donor and ..pi..-acceptor properties in comparison to PPH/sub 3/. The data from the IR and Moessbauer spectra confirm the existence of cis influence of the ligands in the complexes investigated.

  17. 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.

  18. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    DOE PAGESBeta

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

    2015-08-01

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

  19. In-situ Moessbauer Spectroscopy of Supported Iron Fischer-Tropsch Catalysts During Activation

    SciTech Connect

    Motjope, Thato R.; Dlamini, Thulani H.

    2005-04-26

    The behavior of Fe based catalysts supported on ZrO2, SiO2, {gamma}-Al2O3, CeO2 and TiO2 during calcination, reduction and FT synthesis have been studied via in situ Moessbauer spectroscopy. It was found that the type of metal support interaction i.e. surface migration or bulk diffusion during calcination was dependant on the type of support used. Surface migration of Fe3+ during calcination was dominant for ZrO2, CeO2 and {gamma}-Al2O3 and this resulted in the sintering of {alpha}-Fe2O3 crystallites. Whereas bulk diffusion was observed mainly for the catalysts prepared using SiO2 and TiO2, causing a stabilization of the small crystallites of Fe3+ that interacted strongly with the support. Upon reduction, the large crystallites of {alpha}-Fe2O3 were found to reduce readily compared to the small crystallites of Fe3+, except for the catalyst prepared using {gamma}-Al2O3, as a support, where the presence of Al3+ resulted in the formation of spinel like species with the formula (Fe{sup 3+}{sub 2-x}Al{sup 3+}{sub x}Fe{sup 2+})O{sub 4} which are resistant to reduction. Upon exposure to synthesis gas, it was found that catalysts supported on ZrO2 and CeO2 carburized readily resulting in the formation of circa 80% {chi}-Fe2.5C. From this study it was observed that {gamma}-Al2O3 is not the preferred support for Fe based FT catalysts, as it forms the least amount of Fe carbides during FT synthesis.

  20. 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.

  1. 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.

  2. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

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

  4. Structural properties of magnetite under high pressure studied by Moessbauer spectroscopy

    SciTech Connect

    Kobayashi, Hisao; Isogai, Ichiro; Kamimura, Takashi; Hamada, Noriaki; Onodera, Hideya; Todo, Sakae; Mori, Nobuo

    2006-03-01

    We have measured the Moessbauer spectra of magnetite (Fe{sub 3}O{sub 4}) under a pressure of up to 18 GPa at room temperature using nonenriched high-quality samples. An analysis of the observed Moessbauer spectra confirms that Fe{sub 3}O{sub 4} does not undergo a magnetic or crystalline structural transition up to 18 GPa at room temperature. In the pressure dependences of the refined hyperfine interaction parameters, however, small but distinct anomalies are found at 7.0 GPa in the center shifts of two crystallographically nonequivalent Fe sites, which are caused by the discontinuous decrease of an oxygen internal coordinate in the cubic inverse spinel structure. We believe that the pressure-induced discontinuous change of the Fe-O bond length is related to the absence of a metal-insulator transition above 7.5 GPa.

  5. A hydrogen bond study in tobacco mosaic virus using Moessbauer spectroscopy.

    PubMed

    Haffner, H; Appel, H; Holmes, K C

    1986-01-01

    The Moessbauer method was applied to obtain information on a suggested hydrogen bond in tobacco mosaic virus (TMV), between the hydroxyl group of Tyr 139 and a carboxyl oxygen of Glu 22 in a neighbouring subunit. Spectra of 129I were taken of 3,5-di-iodo-L-tyrosine as a free amino acid and in situ in TMV. The increase of the pK value of 3,5-di-iodo-L-tyrosine by 0.8 units at position 139 in TMV compared to the free value is a strong argument in favour of the existence of a hydrogen bond via the relevant hydroxyl group. The reported study demonstrates the surprising sensitivity of the observable Moessbauer parameters to details of the electronic configuration in the neighbourhood of the probe nucleus. PMID:3816698

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

    SciTech Connect

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

    2014-02-15

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

  7. 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.

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

    PubMed

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

    2012-12-01

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

  9. 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.

  10. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    DOE PAGESBeta

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

    2015-03-28

    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). Furthermore, 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. 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. As a result, neither abnormal behavior of the hyperfine parameters at or near Tc, nor phonon softening were observed.« less

  11. 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.

  12. Acidic properties of binary oxide catalysts. II. Moessbauer spectroscopy and pyridine adsorption for iron supported on magnesia, alumina, and titania

    SciTech Connect

    Connell, G.; Dumesic, J.A.

    1986-11-01

    The acidic properties of MgO, Al/sub 2/O/sub 3/, and TiO/sub 2/ were studied using pyridine adsorption. Infrared spectroscopy and gravimetric adsorption measurements indicate no acid sites on MgO, while Lewis acid sites were observed on the surfaces of Al/sub 2/O/sub 3/ and TiO/sub 2/. Doping Fe onto MgO and Al/sub 2/O/sub 3/ was shown by Moessbauer spectroscopy to produce only highly coordinated Fe (e.g., sixfold coordination). A small amount of low coordination iron (e.g., fourfold coordination) was observed on TiO/sub 2/. Pyridine adsorption measurements showed that addition of Fe on MgO did not generate acidity, whereas iron produced a small number of sites on Al/sub 2/O/sub 3/ and iron addition caused a selective poisoning and strengthening of the acid sites on TiO/sub 2/. All acids in this series of single component and binary component oxides were Lewis acids. A model of Lewis acidity is proposed in that the existence of coordinatively unsaturated cations responsible for the acidic properties can be predicted using Pauling's electrostatic bond strength rules. This model is also shown to be valid for iron cations deposited on SiO/sub 2/.

  13. {sup 151}Eu and {sup 121}Sb Moessbauer spectroscopy of EuSbSe{sub 3} and EuBiSe{sub 3}

    SciTech Connect

    Schappacher, Falko M.; Poettgen, Rainer Bang Jin, Geng; Albrecht-Schmitt, Thomas E.

    2007-11-15

    {sup 151}Eu and {sup 121}Sb Moessbauer spectroscopy of EuSbSe{sub 3} and EuBiSe{sub 3} were measured at different temperatures. The presence of divalent europium and trivalent antimony were confirmed. The largely negative values of the isomer shift in {sup 151}Eu spectrum show highly ionic bonding within these two compounds. Both of them show magnetic hyperfine field splitting at 4.2 K, which indicates a change in the orientation of the EFG principal axis with respect to the magnetic hyperfine field direction. EuSbSe{sub 3} has slightly smaller electron density at the antimony nuclei, compared to Sb{sub 2}Se{sub 3.} - Graphical abstract: Experimental and simulated {sup 121}Sb Moessbauer spectrum of EuSbSe{sub 3} at 77 K.

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

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

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

  15. The road to Fe16N2 formation in N + implanted 57Fe enriched films

    NASA Astrophysics Data System (ADS)

    Leroy, E.; Djega-Mariadassou, C.; Bernas, H.; Kaitasov, O.; Krishnan, R.; Tessier, M.

    1995-07-01

    20 keV N+ ions have been implanted on 57Fe enriched Fe films and RF deposited on glass and NaCl substrates with various fluences up to 3.0×1016 N+/cm2. Conversion electron Mossbauer spectroscopy and transmission electron microscopy measurements performed at room temperature on the as-implanted samples reveal the presence of α-Fe, α'-martensite, and ɛ-Fe3-xN phases. α″-Fe16N2 is only detected after a subsequent annealing at 220 °C; α'-martensite with a low nitrogen content appears as the precursor of α″, The additional nitrogen content needed for this process is supplied by the ɛ phase.

  16. The electronic structure of the H-cluster in the [FeFe]-hydrogenase from Desulfovibrio desulfuricans: a Q-band 57Fe-ENDOR and HYSCORE study.

    PubMed

    Silakov, Alexey; Reijerse, Eduard J; Albracht, Simon P J; Hatchikian, E Claude; Lubitz, Wolfgang

    2007-09-19

    The active site of the (57)Fe-enriched [FeFe]-hydrogenase (i.e., the "H-cluster") from Desulfovibrio desulfuricans has been examined using advanced pulse EPR methods at X- and Q-band frequencies. For both the active oxidized state (H(ox)) and the CO inhibited form (H(ox)-CO) all six (57)Fe hyperfine couplings were detected. The analysis shows that the apparent spin density extends over the whole H-cluster. The investigations revealed different hyperfine couplings of all six (57)Fe nuclei in the H-cluster of the H(ox)-CO state. Four large 57Fe hyperfine couplings in the range 20-40 MHz were found (using pulse ENDOR and TRIPLE methods) and were assigned to the [4Fe-4S](H) (cubane) subcluster. Two weak (57)Fe hyperfine couplings below 5 MHz were identified using Q-band HYSCORE spectroscopy and were assigned to the [2Fe](H) subcluster. For the H(ox) state only two different 57Fe hyperfine couplings in the range 10-13 MHz were detected using pulse ENDOR. An (57)Fe line broadening analysis of the X-band CW EPR spectrum indicated, however, that all six (57)Fe nuclei in the H-cluster are contributing to the hyperfine pattern. It is concluded that in both states the binuclear subcluster [2Fe](H) assumes a [Fe(I)Fe(II)] redox configuration where the paramagnetic Fe(I) atom is attached to the [4Fe-4S](H) subcluster. The (57)Fe hyperfine interactions of the formally diamagnetic [4Fe-4S](H) are due to an exchange interaction between the two subclusters as has been discussed earlier by Popescu and Münck [Popescu, C.V.; Münck, E., J. Am. Chem. Soc. 1999, 121, 7877-7884]. This exchange coupling is strongly enhanced by binding of the extrinsic CO ligand. Binding of the dihydrogen substrate may induce a similar effect, and it is therefore proposed that the observed modulation of the electronic structure by the changing ligand surrounding plays an important role in the catalytic mechanism of [FeFe]-hydrogenase. PMID:17722921

  17. 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

  18. 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.

  19. A 57Fe Mössbauer characterization of Fe-biopolymer complexes and their relevance to biological molecules

    NASA Astrophysics Data System (ADS)

    Bhatia, Subhash C.; Cardelino, Beatriz H.; Ravi, Natarajan

    2005-09-01

    57Fe Mössbauer spectroscopy is used to study the interactions, geometry, and the coordination characteristics of the Fe-complexes of biopolymers such as chitosan, glucosamine, and chondritin sulfate. In addition, a computational effort is undertaken for predicting the geometries and energies of the metal complexes by the Density Functional Theory (DFT) methods as implemented in the Gaussian 2003 quantum mechanical program. Both experimental and computational results suggest that the structure of the metal complexes resemble closely the structure of the active sites of metalloenzymes in 2+ or 3+ oxidation states and is at least tetracoordinated and can possibly have six ligands.

  20. 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.

  1. 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.

  2. 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

  3. Search for resonant absorption of solar axions emitted in M1 transition in 57Fe nuclei

    NASA Astrophysics Data System (ADS)

    Derbin, A. V.; Egorov, A. I.; Mitropol'Sky, I. A.; Muratova, V. N.; Semenov, D. A.; Unzhakov, E. V.

    2009-08-01

    A search for resonant absorption of 14.4 keV solar axions by a 57Fe target was performed. The Si(Li) detector placed inside the low-background setup was used to detect the γ-quanta appearing in the deexcitation of the 14.4 keV nuclear level: A+57Fe→57Fe*→57Fe+ γ. The new upper limit for the hadronic axion mass has been obtained of m A ≤159 eV (95% c.l.) ( S=0.5, z=0.56).

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

    NASA Astrophysics Data System (ADS)

    Potenziani, Ernest, II

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

  5. 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.

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

    NASA Astrophysics Data System (ADS)

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

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

  7. Study of excess Fe metal in the lunar fines by magnetic separation, Moessbauer spectroscopy, and microscopic examination.

    NASA Technical Reports Server (NTRS)

    Housley, R. M.; Grant, R. W.; Abdel-Gawad, M.

    1972-01-01

    A simple and convenient method of making quantitative magnetic separations has been applied to the lunar fines. The fractions obtained form groups containing distinctively different particle types; thus, it appears that magnetic separation in itself many be a useful way of characterizing lunar fines. Moessbauer studies of fines 10084 show that the metal cannot contain more than about 1.5% Ni, implying that by far the bulk of the metal results from reduction rather than from direct meteoritic addition. Microscopic examination of magnetic separates from 15101 fines suggests that reduction of Fe accompanies every major impact event on the moon.

  8. Pressure-induced phase transition of Fe{sub 2}TiO{sub 4}: X-ray diffraction and Moessbauer spectroscopy

    SciTech Connect

    Wu Ye; Wu Xiang; Qin Shan

    2012-01-15

    X-ray diffraction and Moessbauer spectroscopy were employed to investigate structural stability of Fe{sub 2}TiO{sub 4} under high pressure. Measurements were performed up to about 24 GPa at room temperature using diamond anvil cell. Experimental results demonstrate that Fe{sub 2}TiO{sub 4} undergoes a series of phase transitions from cubic (Fd3-bar m) to tetragonal (I4{sub 1}/amd) at 8.7 GPa, and then to orthorhombic structure (Cmcm) at 16.0 GPa. The high-pressure phase (Cmcm) of Fe{sub 2}TiO{sub 4} is kept on decompression to ambient pressure. In all polymorphs of Fe{sub 2}TiO{sub 4}, iron cations present a high-spin ferrous property without electric charge exchange with titanium cations at high pressure supported by Moessbauer evidences. - Graphical abstract: A series of phase transition of Fe{sub 2}TiO{sub 4} occurs from cubic (a) to tetragonal (b and c) then to orthorhombic phase (d-f) at high pressure. Highlights: Black-Right-Pointing-Pointer High pressure behaviors of Fe{sub 2}TiO{sub 4} were investigated. Black-Right-Pointing-Pointer Phase transitions were observed from cubic to tetragonal and then to orthorhombic. Black-Right-Pointing-Pointer Orthorhombic phase can be kept on decompression. Black-Right-Pointing-Pointer In all polymorphs of Fe{sub 2}TiO{sub 4}, iron ions are ferrous with high-spin state.

  9. Electric field gradient at 57Fe in scandium and systematics of the electric field gradient at impurities in transition-metal hosts

    NASA Astrophysics Data System (ADS)

    Nair, N. V.; Nair, K. Vijayakumaran

    1986-05-01

    The electric field gradient (EFG) at 57Fe probe atoms in hcp transition-metal scandium is measured using Mössbauer spectroscopy, with 57Fe as a dilute impurity in pure scandium metal. The quadrupole splitting obtained is 0.26(2) mm/s and the corresponding EFG is 1.3(1)×1017 V/cm2 at the probe site in scandium. The ratio eqel/eqion is in fairly good agreement with the universal correlation proposed by Raghavan et al. The results are compared with the theoretical value of the EFG calculated using the conduction-electron charge-shift model. Also, a systematic scheme, which can be used to determine eqel and the sign of EFG in transition-metal hosts, is proposed.

  10. 57Fe-Mössbauer study of electrically conducting barium iron vanadate glass after heat treatment

    NASA Astrophysics Data System (ADS)

    Kubuki, Shiro; Sakka, Hiroshi; Tsuge, Kanako; Homonnay, Zoltán; Sinkó, Katalin; Kuzmann, Ernő; Yasumitsu, Hiroki; Nishida, Tetsuaki

    2008-07-01

    Local structure and thermal durability of semiconducting xBaO·(90 - x)V2O5 · 10Fe2O3 glasses ( x = 20, 30 and 40), NTA glass TM, before and after isothermal annealing were investigated by 57Fe-Mössbauer spectroscopy and differential thermal analysis (DTA). An identical isomer shift (mathit{δ}) of 0.39 ± 0.01 mm s - 1 and a systematic increase in the quadrupole splitting ( Δ) were observed from 0.70 ± 0.02 to 0.80 ± 0.02 mm s - 1 with an increasing BaO content, showing an increase in the local distortion of FeIIIO4 tetrahedra. From the slope of the straight line in the T g Δ plot of NTA glass TM, it proved that FeIII plays a role of network former. Large Debye temperature ( Θ D) values of 1000 and 486 K were respectively obtained for 20BaO · 70V2O5 · 10Fe2O3 glass before and after isothermal annealing at 400°C for 60 min, respectively. This result also suggests that FeIII atoms constitute the glass network composed of tetrahedral FeO4, tetrahedral VO4 and pyramidal VO5 units. The electric conductivity of 20BaO · 70V2O5 · 10Fe2O3 glass increased from 1.6 × 10 - 5 to 5.8 × 10 - 2 S cm - 1 after isothermal annealing at 450°C for 2,000 min. These results suggest that the drastic increase in the electric conductivity caused by heat treatment is closely related to the structural relaxation of the glass network structure.

  11. 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.

  12. Specific features of magnetic states of impurity iron ions in the perovskite La0.75Sr0.25Co0.98 57Fe0.02O3

    NASA Astrophysics Data System (ADS)

    Pokatilov, V. S.; Rusakov, V. S.; Makarova, A. O.; Pokatilov, V. V.; Matsnev, M. E.

    2016-02-01

    Single-phase polycrystalline La0.75Sr0.25Co0.98 57Fe0.02O3 samples have been prepared by solidstate ceramic technology. The samples have the rhombohedral structure (space group Rbar 3c). The studies of perovskite La0.75Sr0.25Co0.98 57Fe0.02O3 by Mössbauer spectroscopy on impurity 57Fe nuclei in the temperature range of 5-293 K have revealed the existence of a superparamagnetic relaxation in the temperature range of 100-210 K. The parameters of hyperfine interactions (hyperfine magnetic fields, line shifts, and quadrupole shifts) and the anisotropy energy have been measured, and the frequencies of magnetic moment relaxation of iron ions have been estimated.

  13. Moessbauer spectroscopy studies of iron-catalysts used in Fischer-Tropsch (FT) processes. Quarterly technical progress report, January--March, 1995

    SciTech Connect

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

    1995-10-01

    Moessbauer spectroscopy investigations were carried out on 14 iron-based catalysts during the period under review. The catalyst 100Fe/4.4Si/0.71K (all atomic ratios) was subjected to activation first in syngas and subsequently in CO gas atmosphere. Fischer-Tropsch (FT) synthesis was carried out on the above catalyst. Another catalyst 100Fe/4.4Si/2.6Cu/0.71K (all atomic ratios) activated in syngas and subjected to FT synthesis was also studied to understand the effect of added Cu on the phase distribution and its effect on the FT activity. The following trends were observed: (1) activation of the catalyst in syngas, H{sub 2}/CO, lead to the formation of Fe{sub 3}O{sub 4} and no carbides were formed, the FT activity was found to be low at 9--12% (H{sub 2}+CO) conversion; (2) activation of the catalyst in CO for 22hrs lead to the formation of 33% of {chi}-carbide and the FT activity was found to be high at 88% maximum; (3) addition of copper to the catalyst has improved the FT activity for those catalysts pretreated in syngas at elevated pressures.

  14. Moessbauer spectroscopy studies of iron-catalysts used in Fischer-Tropsch (FT) processes. Quarterly technical progress report, October 1, 1996--December 31, 1996

    SciTech Connect

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

    1996-12-31

    The U.S. Department of Energy has currently a program to develop Fischer-Tropsch catalysts which are active at low H{sub 2}/Co ratio of 0.67. The Center for Applied Energy Research, University of Kentucky and Texas A&M University have been developing Fischer- Tropsch catalysts which are active at a low H{sub 2}/Co ratio of 0.67. It is of interest to find out any relationships that may exist between the iron phases that are produced during activation and FT synthesis and the activity of the catalysts. Moessbauer spectroscopy investigations were carried out on 32 iron-base catalysts during the period under review. Eleven catalysts withdrawn from slurry type of reactors during and at the end of FT synthesis were received from the University of Kentucky. Twenty one catalysts withdrawn at the end of the run from both the slurry and fixed-bed reactors were received from Texas A&M University.

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

    DOE PAGESBeta

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

    2015-10-17

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

  16. 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

  17. Vibration DOS of 57Fe and Zn doped rutile Sn(Sb) oxides

    NASA Astrophysics Data System (ADS)

    Nomura, Kiyoshi; Rykov, Alexandre; Németh, Zoltán; Yoda, Yoshitaka

    2012-03-01

    Sn oxides co-doped with Zn, Sb and 57Fe were prepared by sol-gel method, and especially the doping effect of non-magnetic Zn ions was studied. The bulk saturation magnetization is in accordance with the intensity of the magnetic component in Mössbauer spectra. The nuclear inelastic scattering (NIS) spectra of these compounds were measured in SPring 8. The vibration density of states (VDOS) of 57Fe doped Sn(Sb) oxides showed that the softening peaks around 15-20 meV appeared by doping less than 10% Zn ions. The clusters of non-magnetic ZnFe2O4 may be most probably formed under the limit of XRD detections. The results suggest that the strengthening of ferromagnetism, which appears in the dilute Zn doping, may occur due to the spin arrangement of dilute Fe3 + through magnetic defects rather than the formation of magnetic iron oxides.

  18. Level Densities and Radiative Strength Functions in 56FE and 57FE

    SciTech Connect

    Tavukcu, E

    2002-12-10

    Understanding nuclear level densities and radiative strength functions is important for pure and applied nuclear physics. Recently, the Oslo Cyclotron Group has developed an experimental method to extract level densities and radiative strength functions simultaneously from the primary {gamma} rays after a light-ion reaction. A primary {gamma}-ray spectrum represents the {gamma}-decay probability distribution. The Oslo method is based on the Axel-Brink hypothesis, according to which the primary {gamma}-ray spectrum is proportional to the product of the level density at the final energy and the radiative strength function. The level density and the radiative strength function are fit to the experimental primary {gamma}-ray spectra, and then normalized to known data. The method works well for heavy nuclei. The present measurements extend the Oslo method to the lighter mass nuclei {sup 56}Fe and {sup 57}Fe. The experimental level densities in {sup 56}Fe and {sup 57}Fe reveal step structure. This step structure is a signature for nucleon pair breaking. The predicted pairing gap parameter is in good agreement with the step corresponding to the first pair breaking. Thermodynamic quantities for {sup 56}Fe and {sup 57}Fe are derived within the microcanonical and canonical ensembles using the experimental level densities. Energy-temperature relations are considered using caloric curves and probability density functions. The differences between the thermodynamics of small and large systems are emphasized. The experimental heat capacities are compared with the recent theoretical calculations obtained in the Shell Model Monte Carlo method. Radiative strength functions in {sup 56}Fe and {sup 57}Fe have surprisingly high values at low {gamma}-ray energies. This behavior has not been observed for heavy nuclei, but has been observed in other light- and medium-mass nuclei. The origin of this low {gamma}-ray energy effect remains unknown.

  19. Structural, electrical, magnetic and 57Fe Mössbauer study of polycrystalline multiferroic DyFeO3

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

    Structural, Raman spectroscopy, leakage current density, temperature dependent magnetization and Mössbauer measurements of polycrystalline DyFeO3 (DFO) prepared through sol-gel route are reported in this paper. Phase purity and structure of the prepared sample is confirmed from x-ray diffraction and Raman spectroscopy measurements. The room temperature leakage current density (J-E) measurements indicate that Ohmic contribution and space charge limited conduction are the dominating mechanisms at low and high applied electric fields respectively. Signatures of Fe3+ spin reorientation transition (TSR) and the antiferromagnetic ordering of Dy3+ ions are observed from the temperature dependent (10-350 K) magnetization data. The M-H data measured at 2 K shows the field induced metamagnetic transition. Internal hyperfine field obtained from temperature dependent (5-300 K) 57Fe Mössbauer measurements is observed to decrease below the TSR and further found to increase till 5 K indicating the contribution of Dy3+ magnetic ordering on the hyperfine field of Fe nucleus.

  20. Moessbauer Nose Print

    NASA Technical Reports Server (NTRS)

    2004-01-01

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

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

    SciTech Connect

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

    1995-09-01

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

  2. Characterization of mechanical nanocrystallization process of amorphous Fe{endash}Mo{endash}Si{endash}B alloy by transmission Moessbauer spectroscopy

    SciTech Connect

    Liu, X.D.; Lu, K.; Umemoto, M.

    1997-03-01

    The nanocrystallization process of the amorphous Fe{endash}Mo{endash}Si{endash}B alloy under ball milling is characterization by means of transmission M{umlt o}ssbauer spectroscopy in the present paper. It was found that a single {alpha}-Fe phase with the bcc structure is formed under ball-milling the amorphous Fe{endash}Mo{endash}Si{endash}B alloy. A significant increase in the relative area of the subspectra of 8 Fenn and 7 Fenn and a remarkable decrease in isomer shift and half linewidth of the subspectra of various Fe configurations, especially in the case of 6 Fenn, were observed during the ball milling process. The diffusion of metalloid atoms from the bcc {alpha}-Fe phase to the remaining amorphous phase and {alpha}-Fe/{alpha}-Fe grain boundaries is suggested to occur during the mechanical crystallization of the current amorphous alloy based on the above TMES investigations. {copyright} {ital 1997 Materials Research Society.}

  3. 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.

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

    SciTech Connect

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

    2012-02-15

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

  5. 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.

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

    PubMed

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

    2002-11-25

    Alcoholic solutions of FeCl(2) and Fe(II)(Hmmi)(2)Cl(2) (Hmmi=1-methyl-2-mercaptoimidazole) induce calf thymus DNA condensation from aqueous solutions buffered at pH 7.4. A 1:1 Fe(II)-(DNA monomer) stoichiometry is assumed. The (57)Fe Mössbauer hyperfine parameters suggest an octahedral coordination environment, severely distorted, in both Fe(II)-(DNA monomer) and [Fe(II)(Hmmi)(2)]-(DNA monomer) condensates. The dynamic properties of iron nuclei in freeze-dried samples were investigated by means of variable temperature (57)Fe Mössbauer spectroscopy. Mean square displacements, (T), were calculated, such as the effective vibrating mass and the Mössbauer lattice temperature of the solids. increases linearly with the temperature in the whole temperature range explored; the absolute values are typical for lattice or solid-state vibrations. Very similar values for the effective vibrating masses were extracted, suggesting comparable covalency of the bonding interaction between the metal atom and its ligands, while the Mössbauer lattice temperatures show a softening of the lattice for [Fe(II)(Hmmi)(2)]-(DNA monomer) with respect to Fe(II)-(DNA monomer) condensate. PMID:12433425

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

    SciTech Connect

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

    2012-01-15

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

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

    NASA Astrophysics Data System (ADS)

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

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

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

    NASA Astrophysics Data System (ADS)

    Greneche, Jean-Marc

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

  10. 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.

  11. Moessbauer on Mars

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This image taken at Meridiani Planum, Mars, by the panoramic camera on the Mars Exploration Rover Opportunity shows the rover's Moessbauer spectrometer (circular device in center), located on its instrument deployment device, or 'arm.' The image was acquired on the ninth martian day or sol of the rover's mission.

  12. 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

    2016-08-01

    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. PMID:27424877

  13. 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.

  14. Moessbauer Close-Up

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This close-up image of the Mars Exploration Rover Spirit's instrument deployment device, or 'arm,' shows the donut-shaped plate on the Moessbauer spectrometer. This image makes it easy to recognize the imprint left by the instrument in the martian soil at a location called 'Peak' on sol 43 (February 16, 2004). This image was taken by the rover's panoramic camera on sol 39 (February 11, 2004).

  15. Moessbauer spectroscopic study of the initial stages of iron-core formation in horse spleen apoferritin: Evidence for both isolated Fe(III) atoms and oxo-bridged Fe(III) dimers as early intermediates

    SciTech Connect

    Bauminger, E.R.; Nowik, I. ); Harrison, P.M.; Treffry, A. )

    1989-06-27

    Ferritin stores iron within a hollow protein shell as a polynuclear Fe(III) hydrous oxide core. Although iron uptake into ferritin has been studied previously, the early stages in the creation of the core need to be clarified. These are dealt with in this paper by using Moessbauer spectroscopy, a technique that enables several types of Fe(II) and Fe(III) to be distinguished. Systematic Moessbauer studies were performed on samples prepared by adding {sup 57}Fe(II) atoms to apoferritin as a function of pH (5.6-7.0), n (the number of Fe/molecule (4-480)), and t{sub f} (the time the samples were held at room temperature before freezing). Four different Fe(III) species were identified: solitary Fe(III) atoms giving relaxation spectra, which can be identified with the species observed before by EPR and UV difference spectroscopy; oxo-bridged dimers giving doublet spectra with large splitting, observed for the first time in ferritin; small Fe(III) clusters giving doublets of smaller splitting and larger antiferromagnetically coupled Fe(III) clusters, similar to those found previously in larger ferritin iron cores, which, for samples with n {ge} 40, gave magnetically split spectra at 4.1 K. Both solitary Fe(III) and dimers diminished with time, suggesting that they are intermediates in the formation of the iron core. Two kinds of divalent iron were distinguished for n = 480, which may correspond to bound and free Fe(II).

  16. Map of Moessbauer Placement

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This elevation map of a soil target called 'Peak' was created from images taken by the microscopic imager located on the Mars Exploration Rover Spirit's instrument deployment device or 'arm.' The image reveals the various high and low points of this spot of soil after the Moessbauer spectrometer, another instrument on the rover's arm, was gently placed down on it. The blue areas are farthest away from the instrument; the red areas are closest. The variation in distance between blue and red areas is only 2 millimeters, or .08 of an inch. The images were acquired on sol 39 (February 11, 2004).

  17. Moessbauer studies of complex materials: Energy versus time domain

    SciTech Connect

    Planckaert, N.; Callens, R.; Demeter, J.; Temst, K.; Vantomme, A.; Laenens, B.; Meersschaut, J.; Sturhahn, W.; Kharlamova, S.

    2009-06-01

    We present a critical comparison between conventional Moessbauer spectroscopy on the one hand and energy and time resolved nuclear resonant scattering on the other hand. The three Moessbauer techniques are evaluated by the characterization of the complex magnetic structure of an Fe{sub 3}Al alloy. It is shown how the different scattering processes and detection schemes, which are involved in the respective configurations, determine the specific strengths of the three techniques and how they are optimally suited for the characterization of materials of varying complexity and reduced sizes.

  18. 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.

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

    DOE PAGESBeta

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

    2015-08-04

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

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

    NASA Technical Reports Server (NTRS)

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

    2016-01-01

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

  1. 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.

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

    SciTech Connect

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

    1989-01-01

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

  3. New limit on the mass of 14.4-keV solar axions emitted in an M1 transition in 57Fe nuclei

    NASA Astrophysics Data System (ADS)

    Derbin, A. V.; Muratova, V. N.; Semenov, D. A.; Unzhakov, E. V.

    2011-04-01

    Axions of energy 14.4 keV that originated from the M1 transition in 57Fe nuclei in the Sun were sought by using the resonance-absorption reaction A+57Fe57Fe* → 57Fe+ γ (14.4 keV). Asectioned Si(Li) detector arranged in a low-background facility was used to record photons from this reaction. This resulted in setting a new limit on the axion couplings to nucleons, |-1.19 g {/AN 0} + g {/AN 3}| ≤ 3.0×10-6. Within the hadronic-axion model, the respective constraint on the axion mass is m A ≤ 145 eV (at a 95% C.L.).

  4. EuTZn (T=Pd, Pt, Au) with TiNiSi-type structure-Magnetic properties and {sup 151}Eu Moessbauer spectroscopy

    SciTech Connect

    Mishra, Trinath; Hermes, Wilfried; Harmening, Thomas; Eul, Matthias; Poettgen, Rainer

    2009-09-15

    The europium compounds EuTZn (T=Pd, Pt, Au) were synthesized from the elements in sealed tantalum tubes in an induction furnace. These intermetallics crystallize with the orthorhombic TiNiSi-type structure, space group Pnma. The structures were investigated by X-ray diffraction on powders and single crystals: a=732.3(2), b=448.5(2), c=787.7(2) pm, R{sub 1}/wR{sub 2}=0.0400/0.0594, 565 F{sup 2} values for EuPdZn, a=727.8(3), b=443.7(1), c=781.7(3) pm, R{sub 1}/wR{sub 2}=0.0605/0.0866, 573 F{sup 2} values for EuPtZn, and a=747.4(2), b=465.8(2), c=789.1(4) pm, R{sub 1}/wR{sub 2}=0.0351/0.0590, 658 F{sup 2} values for EuAuZn, with 20 variables per refinement. Together the T and zinc atoms build up three-dimensional [TZn] networks with short T-Zn distances. The EuTZn compounds show Curie-Weiss behavior in the temperature range from 75 to 300 K with mu{sub eff}=7.97(1), 7.70(1), and 7.94(1) mu{sub B}/Eu atom and theta{sub P}=18.6(1), 34.9(1), and 55.5(1) K for T=Pd, Pt, and Au, respectively, indicating divalent europium. Antiferromagntic ordering was detected at 15.1(3) K for EuPdZn and canted ferromagnetic ordering at 21.2(3) and 51.1(3) K for EuPtZn and EuAuZn. {sup 151}Eu Moessbauer spectroscopic measurements confirm the divalent nature of the europium atoms by isomer shift values ranging from -8.22(8) (EuPtZn) to -9.23(2) mm/s (EuAuZn). At 4.2 K full magnetic hyperfine field splitting is observed in all three compounds due to magnetic ordering of the europium magnetic moments. - Graphical abstract: Europium coordination in EuPdZn, EuPtZn, and EuAuZn.

  5. Neutron Cross section Covariances in the Resonance region: 50,53Cr, 54,57Fe and 60Ni

    SciTech Connect

    Oblozinsky, P.; Cho,Y.-S.; Mattoon,C.M.; Mughabghab,S.F.

    2010-11-23

    We evaluated covariances in the neutron resonance region for capture and elastic scattering cross sections on minor structural materials, {sup 50,53}Cr, {sup 54,57}Fe and {sup 60}Ni. Use was made of the recently developed covariance formalism based on kernel approximation along with data in the Atlas of Neutron Resonances. Our results of most interest for advanced fuel cycle applications, elastic scattering cross section uncertainties at energies around 100 keV, are on the level of about 7-10%.

  6. 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.

  7. 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. PMID:25554878

  8. 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.

  9. 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).

  10. 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

  11. 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.

  12. 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.

  13. 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

  14. 57 Fe Mössbauer and X-ray characterisation of sandstones

    NASA Astrophysics Data System (ADS)

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

    2013-04-01

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

  15. Moessbauer Footprint in the Soil

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This 3-D image taken by the microscopic imager onboard the Mars Exploration Rover Opportunity shows a circular imprint left in the Meridiani Planum soil by the rover's Moessbauer spectrometer, an instrument located on its arm that detects iron-bearing minerals. Scientists are studying the curiously rounded grains for clues about the soil's history. The observed area is 3 centimeters (1.2 inches) across.

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

    PubMed

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

    2014-10-01

    A tracer experiment is carried out with transgenic T (variety M 7211 RR) and non-transgenic NT (variety MSOY 8200) soybean plants to evaluate if genetic modification can influence the uptake and translocation of Fe. A chelate of EDTA with enriched stable (57)Fe is applied to the plants cultivated in vermiculite plus substrate and the (57)Fe acts as a tracer. The exposure of plants to enriched (57)Fe causes the dilution of the natural previously existing Fe in the plant compartments and then the changed Fe isotopic ratio ((57)Fe/(56)Fe) is measured using a quadrupole-based inductively coupled plasma mass spectrometer equipped with a dynamic reaction cell (DRC). Mathematical calculations based on the isotope dilution methodology allow distinguishing the natural abundance Fe from the enriched Fe (incorporated during the experiment). The NT soybean plants acquire higher amounts of Fe from natural abundance (originally present in the soil) and from enriched Fe (coming from the (57)Fe-EDTA during the experiment) than T soybean ones, demonstrating that the NT soybean plants probably absorb higher amounts of Fe, independently of the source. The percentage of newly incorporated Fe (coming from the treatment) was approximately 2.0 and 1.1% for NT and T soybean plants, respectively. A higher fraction (90.1%) of enriched Fe is translocated to upper parts, and a slightly lower fraction (3.8%) is accumulated in the stems by NT plants than by T ones (85.1%; 5.1%). Moreover, in both plants, the Fe-EDTA facilitates the transport and translocation of Fe to the leaves. The genetic modification is probably responsible for differences observed between T and NT soybean plants. PMID:25079128

  17. 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.

  18. Moessbauer Study of Soil Profiles in Industrial Region of Ukraine

    SciTech Connect

    Kopcewicz, B.; Jelenska, M.; Hasso-Agopsowicz, A.; Kopcewicz, M.

    2005-04-26

    Moessbauer spectroscopy was applied to study the influence of industrial activity on soil composition. Comparing the Moessbauer spectra of separate layers for the Mariupol sampling site (highly polluted industrial region of South -- East Ukraine) we observed: i) appearance of the Fe3O4 compound at top soil layers: 16.6% of relative spectral area (RA) at (0 - 10 cm) layer, 5.3% of RA at (30 - 40 cm) layer and no magnetite component at deeper layers, ii) a significant increase of the contribution of the magnetically split spectral components: from 10.9% of RA for (120 - 130 cm) layer to 32.8% of RA for (0-10 cm) layer. The differences in RA of the magnetically split spectral components between top soil layer and the (120 - 130 cm) layer at the Homutovski steppe sampling site (non-polluted area) are much smaller, 13.7% and 9.8%, respectively. From the temperature dependence of the Moessbauer spectra it was concluded that part of the iron-containing compounds appears in the form of ultra fine particles in the superparamagnetic state. The observed increase of total concentration of the magnetic minerals for polluted sampling sites is caused by an increase of the content of coarse fraction of the magnetic particles.

  19. Structural and 57Fe Mössbauer study of EuCr1 - x Fe x O3 nanocrystalline particles

    NASA Astrophysics Data System (ADS)

    Widatallah, H. M.; Al-Shahumi, T. M. H.; Gismelseed, A. M.; Klencsár, Z.; Al-Rawas, A. D.; Al-Omari, I. A.; Elzain, M. E.; Yousif, A. A.; Pekala, M.

    2012-03-01

    A structural and Mössbauer study of mechanosynthesized EuCr1 - xFexO3 nanocrystalline particles (˜20-30 nm) is presented. The lattice parameters increase with increasing x-value leading to an increasingly distorted structure. The crystallite sizes range between 20 nm and 30 nm. Magnetic and 57Fe Mössbauer measurements show the samples with x < 0.7 to be paramagnetic and those with x ≥ 0.7 to be partially superparamagnetic at 298 K. The 78 K Mössbauer spectra of the samples with x = 0.3-1.0 are composed of well-resolved two sextets that are explicable in terms of the structural model that we recently have proposed for the EuCrO3 nanoparticles according to which the transition metal ions and Eu3 + partly exchange their usual sites in the perovskite-related structure (Widatallah et al. J Phys D Appl Phys 44:265403, 2011). Consequently, the two sextets obtained at 78 K refer to Fe3 + ions at the usual B-octahedral site and the A-dodecahedral site usually occupied by Eu3 + .

  20. Phenomenological simulation and density functional theory prediction of 57 Fe Mössbauer parameters: application to magnetically coupled diiron proteins

    NASA Astrophysics Data System (ADS)

    Rodriguez, Jorge H.

    2013-04-01

    The use of phenomenological spin Hamiltonians and of spin density functional theory for the analysis and interpretation of Mössbauer spectra of antiferromagnetic or ferromagnetic diiron centers is briefly discussed. The spectroscopic parameters of the hydroxylase component of methane monooxygenase (MMOH), an enzyme that catalyzes the conversion of methane to methanol, have been studied. In its reduced diferrous state (MMOH Red ) the enzyme displays 57Fe Mössbauer and EPR parameters characteristic of two ferromagnetically coupled high spin ferrous ions. However, Mössbauer spectra recorded for MMOH Red from two different bacteria, Methylococcus capsulatus (Bath) and Methylosinus trichosporium OB3b, display slightly different electric quadrupole splittings (Δ E Q ) in apparent contradiction to their essentially identical active site crystallographic structures and biochemical functions. Herein, the Mössbauer spectral parameters of MMOH Red have been predicted and studied via spin density functional theory. The somewhat different Δ E Q recorded for the two bacteria have been traced to the relative position of an essentially unbound water molecule within their diiron active sites. It is shown that the presence or absence of the unbound water molecule mainly affects the electric field gradient at only one iron ion of the binuclear active sites.

  1. Mössbauer spectra and electric properties of 57Fe-enriched BiFeO3 thin films

    NASA Astrophysics Data System (ADS)

    Tanaka, Kiyotaka; Fujita, Yuya; Okamura, Soichiro; Yoshida, Yutaka

    2014-09-01

    57Fe-enriched BiFeO3 (BFO) thin films are fabricated on Pt/Ti/SiO2/Si substrates from a stoichiometric precursor solution by chemical solution deposition process. The microstructure of the thin films is controlled by a changing the sintering time at 550 °C. The polycrystalline thin film fabricated at 550 °C for 5 min shows well-saturated polarization-electric field (P-E) hysteresis loops and the remnant polarization Pr and coercive field Ec at room temperature are 52 µC/cm2 and 365 kV/cm, respectively, at an applied electric field of 1200 kV/cm. The Mössbauer spectra show that the BFO thin film has the valence state of Fe3+ only, consisting of antiferromagnetic and paramagnetic components. The paramagnetic component with an area fraction from 11 to 18%, which is not amorphous or Bi2Fe4O9, seems to distribute in the surface shell of the grains and the grain boundaries. This component must strongly influence the ferroelectric properties at room temperature.

  2. Search for 14.4 keV solar axions from M1 transition of 57Fe with CUORE crystals

    NASA Astrophysics Data System (ADS)

    CUORE Collaboration

    2013-05-01

    We report the results of a search for axions from the 14.4 keV M1 transition from 57Fe in the core of the sun using the axio-electric effect in TeO2 bolometers. The detectors are 5 × 5 × 5 cm3 crystals operated at about 10 mK in a facility used to test bolometers for the CUORE experiment at the Laboratori Nazionali del Gran Sasso in Italy. An analysis of 43.65 kgṡd of data was made using a newly developed low energy trigger which was optimized to reduce the energy threshold of the detector. An upper limit of 0.58 cṡkg-1ṡd-1 is established at 95% C.L., which translates into lower bounds fA >= 3.12 × 105 GeV 95% C.L. (DFSZ model) and fA >= 2.41 × 104 GeV 95% C.L. (KSVZ model) on the Peccei-Quinn symmetry-breaking scale, for a value of S = 0.5 of the flavor-singlet axial vector matrix element. These bounds can be expressed in terms of axion masses as mA <= 19.2 eV and mA <= 250 eV at 95% C.L. in the DFSZ and KSVZ models respectively. Bounds are given also for the interval 0.35 <= S <= 0.55.

  3. 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.

  4. 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.

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

    SciTech Connect

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

    2011-07-15

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

  6. The Miniaturized Moessbauer Spectrometer MIMOS II of the Athena Payload for the 2003 MER Missions

    NASA Technical Reports Server (NTRS)

    Klingelhoefer, G.; Morris, R. V.; deSouza, P. A., Jr.; Bernhardt, B.

    2003-01-01

    A first-order requirement of spacecraft missions that land on Mars is instrumentation for in situ mineralogical analysis. Moessbauer Spectroscopy is a powerful tool for quantitative analysis of Fe-bearing materials. The Athena Moessbauer spectrometer MIMOS II on the martian surface will provide: (1) identification of iron-bearing phases (e.g., oxides, silicates, sulfides, sulfates, and carbonates), (2) quantitative measurement of the distribution of iron among its oxidation states (e.g., Fe(2+)/Fe(3+) ratio), and (3) quantitative measurement of the distribution of iron among iron-bearing phases (e.g., the relative proportions of iron in olivine, pyroxene, and magnetite in a basalt) in rocks and soils. Moessbauer data will also be highly complementary with chemical analyses from the APXS and the Mini-TES compositional data. Mars is a particularly good place to do Moessbauer mineralogy because its surface is iron rich (approx. 20% Fe as Fe2O3). Moessbauer spectrometers that are built with backscatter measurement geometry require no sample preparation, a factor important for in situ planetary measurements.

  7. Cross sections of the 57Fe(n,α)54Cr and 63Cu(n,α)60Co reactions in the MeV region

    NASA Astrophysics Data System (ADS)

    Gledenov, Yu. M.; Sedysheva, M. V.; Stolupin, V. A.; Zhang, Guohui; Han, Jinhua; Wang, Zhimin; Fan, Xiao; Liu, Xiang; Chen, Jinxiang; Khuukhenkhuu, G.; Szalanski, P. J.

    2014-06-01

    Cross sections of the 57Fe(n,α)54Cr reaction are measured for the first time, and those of the 63Cu(n,α)60Co reaction are measured in the megaelectron volt region by the direct experimental method. Experiments were performed at the 4.5-MV Van de Graaff Accelerator of Peking University. Monoenergetic neutrons (5.0, 5.5, 6.0, and 6.5 MeV) were produced through the 2H(d,n)3He reaction with a deuterium gas target. Measurements were carried out using a double-section-gridded ionization chamber and back-to-back double 57Fe and 63Cu samples. Foreground and background were measured in separate runs. A 238U sample and a BF3 long counter were utilized for absolute neutron flux calibration and for neutron flux normalization, respectively. Present results are compared with talys-1.4 code predictions, existing measurements, and evaluations.

  8. 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.

  9. 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.

  10. Calibration of modern density functional theory methods for the prediction of 57Fe Mössbauer isomer shifts: meta-GGA and double-hybrid functionals.

    PubMed

    Römelt, Michael; Ye, Shengfa; Neese, Frank

    2009-02-01

    Five density functionals including GGA (generalized gradient approximation) (BP86), meta-GGA (TPSS), hybrid meta-GGA (TPSSh), hybrid (B3LYP), and double-hybrid functionals (B2PLYP) were calibrated for the prediction of 57Fe Mössbauer isomer shifts on a set of 20 iron-containing molecules. The influence of scalar relativistic effects and the basis set dependence of the predictions were investigated. PMID:19102678

  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. PMID:25723944

  12. 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

  13. 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.

  14. Gamma scattering in condensed matter with high intensity Moessbauer radiation

    SciTech Connect

    Not Available

    1990-01-01

    We give a progress report for the work which has been carried out in the last three years with DOE support. A facility for high-intensity Moessbauer scattering is now fully operational at the University of Missouri Research Reactor (MURR) as well as a facility at Purdue, using special isotopes produced at MURR. High precision, fundamental Moessbauer effect studies have been carried out using scattering to filter the unwanted radiation. These have led to a new Fourier transform method for describing Moessbauer effect (ME) lineshape and a direct method of fitting ME data to the convolution integral. These methods allow complete correction for source resonance self absorption (SRSA) and the accurate representation of interference effects that add an asymmetric component to the ME lines. We have begun applying these techniques to attenuated ME sources whose central peak has been attenuated by stationary resonant absorbers, to more precisely determine interference parameters and line-shape behavior in the resonance asymptotic region. This analysis is important to both the fundamental ME studies and to scattering studies for which a deconvolution is essential for extracting the correct recoilless fractions and interference parameters. A number of scattering studies have been successfully carried out including a study of the thermal diffuse scattering in Si, which led to an analysis of the resolution function for gamma-ray scattering. Also studied was the anharmonic motion in Na and the satellite reflection Debye-Waller factor in TaS{sub 2}, which indicate phason rather than phonon behavior. We have begun quasielastic diffusion studies in viscous liquids and current results are summarized. These advances, coupled to our improvements in MIcrofoil Conversion Electron spectroscopy lay the foundation for the proposed research outlined in this request for a three-year renewal of DOE support.

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

    SciTech Connect

    Yelon, W.B.; Schupp, G.

    1990-10-01

    We give a progress report for the work which has been carried out in the last three years with DOE support. A facility for high-intensity Moessbauer scattering is now fully operational at the University of Missouri Research Reactor (MURR) as well as facility at Purdue, using special isotopes produced at MURR. High precision, fundamental Moessbauer effect studies have been carried out using scattering to filter the unwanted radiation. These have led to a new Fourier transform method for describing Moessbauer effect (ME) lineshape and a direct method of fitting ME data to the convolution integral. These methods allow complete correction for source resonance self absorption (SRSA) and the accurate representation of interference effects that add an asymmetric component to the ME lines. We have begun applying these techniques to attenuated ME sources whose central peak has been attenuated by stationary resonant absorbers, to more precisely determine interference parameters and line-shape behavior in the resonance asymptotic region. This analysis is important to both the fundamental ME studies and to scattering studies for which a deconvolution is essential for extracting the correct recoilless fractions and interference parameters. A number of scattering studies have been successfully carried out including a study of the thermal diffuse scattering in Si, which led to an analysis of the resolution function for gamma-ray scattering. Also studied was the anharmonic motion in Na and the satellite reflection Debye-Waller factor in TaS{sub 2}, which indicate phason rather than phonon behavior. We have begun quasielastic diffusion studies in viscous liquids and current results are summarized. These advances, coupled to our improvements in MIcrofoil Conversion Electron spectroscopy lay the foundation for the proposed research outlined in this request for a three-year renewal of DOE support.

  16. Test of level density models from reactions of {sup 6}Li on {sup 58}Fe and {sup 7}Li on {sup 57}Fe

    SciTech Connect

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

    2009-09-15

    The reactions of {sup 6}Li on {sup 58}Fe and {sup 7}Li on {sup 57}Fe have been studied at 15 MeV beam energy. These two reactions produce the same compound nucleus, {sup 64}Cu. The charged particle spectra were measured at backward angles. The data obtained have been compared with Hauser-Feshbach model calculations. The level density parameters of {sup 63}Ni and {sup 60}Co have been obtained from the particle evaporation spectra. We also find contributions from the break up of the lithium projectiles to the low energy region of the {alpha} spectra.

  17. 57Fe Mössbauer and electrical studies of the (NiO)-(Cr2O3) x-(Fe2O3)2-x system

    NASA Astrophysics Data System (ADS)

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

    2003-08-01

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

  18. 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.

  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. 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.

  1. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  3. 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.

  4. 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.

  5. The (Na,Li)FeGe2O6 clinopyroxene-type series: a temperature-dependent single-crystal X-ray diffraction and 57Fe Mössbauer spectroscopic study

    NASA Astrophysics Data System (ADS)

    Redhammer, Günther J.; Tippelt, Gerold

    2016-01-01

    Pyroxene-type compounds along the solid solution series LiFeGe2O6 ( P21/ c space group symmetry) and NaFeGe2O6 ( C2/ c) have been synthesized at 1273-1373 K and investigated by single-crystal X-ray diffraction at 298 K and between 105 and 298 K for Li0.4Na0.6FeGe2O6 in order to study structural variations associated with the chemical- and temperature-driven P21/ c ⇔ C2/ c phase transition. 57Fe Mössbauer spectroscopy, differential thermal analysis, and determination of thermal expansion coefficients from high-temperature powder X-ray diffraction data complete the investigations. The C2/ c phase is stabilized with increasing Na+ content and temperature, and the phase boundary is found at 789 K in pure LiFeGe2O6, decreasing to 109 K in the compound Li0.3Na0.7FeGe2O6. From the available data, a T- X structural phase diagram is constructed. The P21/ c ⇔ C2/ c phase transition is accompanied by distinct variations in lattice parameters, rearrangements in M2 site coordination as well as changes in tetrahedral site chain kinking. Also, chemical strain and the thermal expansion tensor change in size and orientation with Li+ by Na+ replacement. The study will provide a detailed description of the observed variations in bond lengths, bond angles, and distortion parameters.

  6. 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

    2015-01-01

    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 (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. PMID:26259066

  7. 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.

  8. 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.

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

    DOE PAGESBeta

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

    2015-08-10

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

  10. 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

  11. Effect of nanocrystallization on the electrical conductivity enhancement and Moessbauer hyperfine parameters of iron based glasses

    SciTech Connect

    El-Desoky, M.M.; Ibrahim, F.A.; Mostafa, A.G.; Hassaan, M.Y.

    2010-09-15

    Selected glasses of Fe{sub 2}O{sub 3}-PbO{sub 2}-Bi{sub 2}O{sub 3} system have been transformed into nanomaterials by annealing at temperature close to crystallization temperature (T{sub c}) for 1 h. The effects of the annealing of the present samples on its structural and electrical properties were studied by Moessbauer spectroscopy, transmission electron micrograph (TEM), differential scanning calorimeter (DSC) and dc conductivity ({sigma}). Moessbauer spectroscopy was used in order to determine the states of iron and its hyperfine structure. The effect of nanocrystalization on the Moessbauer hyperfine parameters did not exhibit significant modifications in present glasses. However, in case of glass ceramic nanocrystals show a distinct decrease in the quadrupole splitting ({Delta}) is observed, reflecting an evident decrease in the distortion of structural units like FeO{sub 4} units. In general, the Moessbauer parameters of the nano-crystalline phase exhibit tendency to increase with PbO{sub 2} content. TEM of as-quenched glasses confirm the homogeneous and essentially featureless morphology. TEM of the corresponding glass ceramic nanocrystals indicates nanocrystals embedded in the glassy matrix with average particle size of about 32 nm. The crystallization temperature (T{sub c}) was observed to decrease with PbO{sub 2} content. The glass ceramic nanocrystals obtained by annealing at T{sub c} exhibit improvement of electrical conductivity up to four orders of magnitude than the starting glasses. This considerable improvement of electrical conductivity after nanocrystallization is attributed to formation of defective, well-conducting phases 'easy conduction paths' along the glass-crystallites interfaces.

  12. 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.

  13. 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.

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

    NASA Technical Reports Server (NTRS)

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

    2006-01-01

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

  15. A Moessbauer-effect study of a series of R sub 2 Fe sub 14 C hard magnetic materials

    SciTech Connect

    Long, G.J.; Pringle, O.A.; Marasinghe, G.K. Department of Physics, University of Missouri-Rolla, Rolla, Missouri 65401 ); Grandjean, F. ); Buschow, K.H.J. )

    1991-04-15

    The {sup 57}Fe Moessbauer-effect spectra of the series of hard magnetic materials, R{sub 2}Fe{sub 14}C, where R is Nd, Gd, Tb, Dy, Ho, and Lu, have been measured at 295 K. All of these carbides exhibit uniaxial magnetic anisotropy. The spectra resemble those obtained for the related R{sub 2}Fe{sub 14}B compounds and have been fit with the model used earlier for Nd{sub 2}Fe{sub 14}B. The magnitude of the hyperfine field on each site, as a function of rare earth, parallels the Curie temperature; the maximum hyperfine fields and the maximum Curie temperature are observed for Gd{sub 2}Fe{sub 14}C. A linear correlation is observed between the hyperfine fields on the six sites in the analogous borides and carbides; however, these fields are systematically smaller in the carbides. The decrease in the tetragonal unit cell {ital c}-axis length in the carbides apparently reduces the exchange interactions between the 8{ital j} and 16{ital k} iron layers and hence reduces the moments. The isomer shift on each site decreases as the atomic number of the rare earth increases, whereas the quadrupole interactions are independent of rare earth.

  16. 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.

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

    SciTech Connect

    Goldman, D.S.

    1985-11-01

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

  18. Sensitivity of the CUORE detector to 14.4 keV solar axions emitted by the M1 nuclear transition of 57Fe

    NASA Astrophysics Data System (ADS)

    Li, Dawei; Creswick, Richard J.; Avignone, Frank T., III; Wang, Yuanxu

    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 57Fe in the Sun and detected by inverse coherent Bragg-Primakoff conversion in single-crystal TeO2 bolometers. The expected counting rate is calculated using density functional theory for the electron charge density of TeO2 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 gaγγgaNeff < 1.105 × 10-16 /GeV for axion masses less than 500 eV with 95% confidence level.

  19. Equilibrium and pre-equilibrium processes in the {sup 55}Mn({sup 6}Li,xp) and {sup 57}Fe({alpha},xp) reactions

    SciTech Connect

    Voinov, A. V.; Grimes, S. M.; Brune, C. R.; Massey, T. N.; Buerger, A.; Goergen, A.; Guttormsen, M.; Larsen, A. C.; Siem, S.; Kalbach, C.

    2011-05-15

    Spectra of outgoing neutrons and protons from the {sup 6}Li + {sup 55}Mn reaction and protons from the {alpha} + {sup 57}Fe reaction have been measured with beams of 15-MeV {sup 6}Li ions and 30-MeV {alpha} particles. These reactions proceed through the same {sup 61}Ni nucleus at the same excitation energy, thus allowing the difference in reaction mechanisms to be studied. It is shown that spectra from the first reaction measured at backward angles are due to emission from a traditional compound nucleus reaction, in which the intermediate nucleus has reached statistical equilibrium; the spectra from the second reaction contain a significant fraction of pre-equilibrium emission at all angles. Level density parameters of the residual nucleus {sup 60}Co have been obtained from the first reaction. Both emission spectra and angular distributions have been measured for the second reaction. It was found that the pre-equilibrium component exhibits a forward-peaked angular distribution, as expected, but with a steeper slope than predicted and with an unusual slight rise at angles above 120 deg. The backward-angle rise is explained qualitatively by the dominance of the multistep compound mechanism at backward angles.

  20. Moessbauer spectroscopic studies of iron compounds in coal and related materials

    SciTech Connect

    Twardowska, H.

    1980-01-01

    A selection of Illinois coals, related materials, and coal process residues were investigated by means of Moessbauer spectroscopy. The purpose of the study is to characterize the iron compounds in the materials and the iron chemistry which occurs when the coal is processed. The predominant iron mineral occurring in the coals was pyrite. Marcasite also occurred in the coals although it was frequently obscured by pyrite. Jarosite was found in the weathered coals. The study also considered pyrrhotite. An important chemical process in the charring and liquefaction of coal is the conversion of pyrite to pyrrhotite. (JMT)

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

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

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

    SciTech Connect

    2013-05-01

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

  3. 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).

  4. Moessbauer Spectrometer in the PXI/CompactPCI Modular System

    SciTech Connect

    Pechousek, Jiri; Mashlan, Miroslav; Zboril, Radek

    2005-04-26

    Two commercially available modules, a digital oscilloscope (NI 5102) and a function generator (NI 5401) in the PXI (PCI eXtension for Instrumentation) or PCI standard from National Instruments Inc., supported by the driver software, have been used for building a computer-based Moessbauer spectrometer. The RTSI (Real-Time System Integration) bus is used for synchronizing the accumulation of the detector impulses to the Moessbauer spectrum with velocity of the 'source-sample' relative motion. The amplitude selection of the impulses from the detector output is based on the use of the Waveform Peak Detection.vi function. This function is available in the graphical programming environment LabVIEW 7 Express which serves for an implementation of the virtual instrument of the Moessbauer spectrometer. Moessbauer spectra can be accumulated in the constant and variable velocity modes; moreover, there is a possibility to register gamma-ray spectra in the multichannel analyzer mode. Two types of the detectors (a NaI(Tl) and a resonance scintillation detector) have been used with the new Moessbauer spectrometer.

  5. Moessbauer Study and Macroscopic/Global Magnetic Behavior of Powdered Ilmenite (FeTiO{sub 3}) Sample

    SciTech Connect

    Cuda, J.; Prochazka, V.; Zboril, R.; Tucek, J.; Maslan, M.

    2010-07-13

    In this article, the commercial synthetic powdered sample of ilmenite (FeTiO{sub 3}) has been re-examined by Moessbauer spectroscopy in the paramagnetic regime from 77 K to 280 K and in a magnetically ordered state below 57 K. The effective vibrating mass and the Debye temperature was found to be (78{+-}3) amu and (359{+-}27) K, respectively. The two sextet components were used for correct fitting of the Moessbauer spectra recorded at 5 K and 45 K in an external magnetic field of 5 T. Moreover, the macroscopic magnetic measurements were carried out by an MPMS XL-7 magnetometer to determine a temperature dependence of the molar susceptibility and hysteresis loops of this sample. The Moessbauer spectra and magnetization measurements confirm that below the ordering temperature of ilmenite, it behaves as a non-ideal antiferromagnetic material with a significant magnetic hardening at low temperatures. In addition, the magnetic molar susceptibility follows a Curie-Weiss law with C{sub m=5.8x10{sup -5}Km{sup 3}/mol}, and Weiss temperature {theta}{sub p} = 30.6 K.

  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. Prototype Backscatter Moessbauer Spectrometer for Measurement of Martian Surface Mineralogy

    NASA Technical Reports Server (NTRS)

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

    1993-01-01

    We have designed and successfully tested a prototype of a backscatter Moessbauer spectrometer (BaMS) targeted for use on the Martian surface to (1) determine oxidation states of iron, and (2) identify and determine relative abundances of iron-bearing mineralogies. No sample preparation is required to perform measurements; it is only necessary to bring sample and instrument into physical contact. The prototype meets our projected specification for a flight instrument in terms of mass, power, and volume. A Moessbauer spectrometer on the Martian surface would provide wide variety of information about the current state of the Martian surface, and this information is described.

  9. 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.

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

    NASA Astrophysics Data System (ADS)

    Housley, R. M.

    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.

  11. 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.

  12. Molecular dynamics in cytochrome c oxidase Moessbauer spectra deconvolution

    SciTech Connect

    Bossis, Fabrizio; Palese, Luigi L.

    2011-01-07

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

  13. (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.

  14. 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.

  15. Spatial spin-modulated structure and hyperfine interactions of 57Fe nuclei in multiferroics BiFe1- x T x O3 ( T = Sc, Mn; x = 0, 0.05)

    NASA Astrophysics Data System (ADS)

    Rusakov, V. S.; Pokatilov, V. S.; Sigov, A. S.; Matsnev, M. E.; Gapochka, A. M.; Kiseleva, T. Yu.; Komarov, A. E.; Shatokhin, M. S.; Makarova, A. O.

    2016-01-01

    The results of the Mössbauer studies on 57Fe nuclei in multiferroics BiFe1- x T x O3 ( T = Sc, Mn; x = 0, 0.05) in the temperature range of 5.2-300 K have been presented. The Mössbauer spectra have been analyzed in terms of the model of an incommensurate spatial spin-modulated structure of cycloid type. Information has been obtained about the effect of the substitution of Sc and Mn atoms for Fe atoms on the hyperfine parameters of the spectrum: the shift and the quadrupole shift of the Mössbauer line, the isotropic and anisotropic contributions to the hyperfine magnetic field, and also the parameter of anharmonicity of the spatial spin-modulated structure.

  16. Structural transitions in La 0.95 Ba 0.05 Mn 0.98 57 Fe 0.02 O 3 under heat treatment

    NASA Astrophysics Data System (ADS)

    Sedykh, V.; Rusakov, V.

    2014-04-01

    Structural transitions in polycrystalline Ba-doped lanthanum manganite La0.95Ba0.05Mn0.98Fe0.02O3 + δ have been investigated under different cooling conditions after vacuum annealing (fast and slow cooling) by Mössbauer spectroscopy and X-ray diffraction (XRD) analysis. A rhombohedral structure of the synthesized La0.95Ba0.05Mn0.98Fe0.02O3 + δ sample transfers into a mixture of the orthorhombic PnmaI, PnmaII* and PnmaII phases (common space group Pnma) with a stoichiometric oxygen composition under vacuum annealing. The further vacuum annealing leads to fluctuations in a partial relation of the orthorhombic phases on fast cooling. This unusual behavior of the structural transitions are discussed.

  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. In situ x-ray reflectivity and grazing incidence x-ray diffraction study of L 1(0) ordering in (57)Fe/Pt multilayers.

    PubMed

    Raghavendra Reddy, V; Gupta, Ajay; Gome, Anil; Leitenberger, Wolfram; Pietsch, U

    2009-05-01

    In situ high temperature x-ray reflectivity and grazing incidence x-ray diffraction measurements in the energy dispersive mode are used to study the ordered face-centered tetragonal (fct) L 1(0) phase formation in [Fe(19 Å)/Pt(25 Å)]( × 10) multilayers prepared by ion beam sputtering. With the in situ x-ray measurements it is observed that (i) the multilayer structure first transforms to a disordered FePt and subsequently to an ordered fct L 1(0) phase, (ii) the ordered fct L 1(0) FePt peaks start to appear at 320 °C annealing, (iii) the activation energy of the interdiffusion is 0.8 eV and (iv) ordered fct FePt grains have preferential out-of-plane texture. The magneto-optical Kerr effect and conversion electron Mössbauer spectroscopies are used to study the magnetic properties of the as-deposited and 400 °C annealed multilayers. The magnetic data for the 400 °C annealed sample indicate that the magnetization is at an angle of ∼50° from the plane of the film. PMID:21825468

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

    NASA Technical Reports Server (NTRS)

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

    1993-01-01

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

  20. Synchrotron Mossbauer spectroscopy using high-speed shutters.

    SciTech Connect

    Toellner, T. S.; Alp, E. E.; Graber, T.; Henning, R. W.; Shastri, S. D.; Shenoy, G.; Sturhahn, W.

    2011-03-01

    A new method of performing Moessbauer spectroscopy with synchrotron radiation is demonstrated that involves using a high-speed periodic shutter near the focal spot of a microfocused X-ray beam. This fast microshuttering technique operates without a high-resolution monochromator and has the potential to produce much higher signal rates. It also offers orders of magnitude more suppression of unwanted electronic charge scattering. Measurement results are shown that prove the principle of the method and improvements are discussed to deliver a very pure beam of Moessbauer photons (E/{Delta}E {approx_equal} 10{sup 12}) with previously unavailable spectral brightness. Such a source will allow both Moessbauer spectroscopy in the energy domain with the many advantageous characteristics of synchrotron radiation and new opportunities for measurements using X-rays with ultra-high energy resolution.

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

    SciTech Connect

    Schreckenbach, G.

    1999-06-01

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

  2. Synthesis and Moessbauer-spectroscopic investigation of coordination compounds of tin(IV) with ligands based on thiosemicarbazide

    SciTech Connect

    Gerbeleu, N.V.; Rochev, V.Ya.; Turte, K.I.; Bologa, O.A.; Bobkova, S.A.; Lozan, V.I.; Lavrinyuk, I.P.

    1987-03-01

    Coordination compounds of Sn(IV) of the type SnX/sub 4/L/sub 2/, where X = Cl and Br, and L stands for pyruvic acid thiosemicarbazone (pyth), carboxybenzaldehyde thiosemicarbazone (beth), and thiosemicarbazidediacetic acid (thda), respectively, have been investigated by Moessbauer spectroscopy. The gamma-resonance spectra have the form of unbroadened singlet lines with values of the isomer shifts at 92/sup 0/K equal to 0.56 for SnCl/sub 4/ (pyth)/sub 2/, 0.52 for SnCl/sub 4/ (beth)/sub 2/, 0.65 for SnCl/sub 4/ (thda)/sub 2/, 0.78 for SnBr/sub 4/ (pyth)/sub 2/, and 0.91 mm/sec for SnBr/sub 4/ (thda)/sub 2/. An analysis of the IR spectra and Moessbauer spectra led to the conclusion that in all the compounds synthesized L acts as a neutral monodentate ligand, in which the sulfur atom is the donor site.

  3. Structural magnetic and Mossbauer study of 57Fe doped La2/3Ca1/3Mn1-xFexO3 (0≥x≥0.1) manganites

    NASA Astrophysics Data System (ADS)

    Sánchez, L. C.; Durango, D.; Arnache, O.

    2016-02-01

    We have studied the effect of 57Fe substitution on structural and magnetic properties of La2/3Ca1/3Mn1-xFexO3 (LCMFO; x=0, 5 and 10%) manganites. The powders were prepared by the solid state reaction method, and the final products were characterized by X-Ray Diffraction (XRD), Mössbauer Spectrometry and Magnetic Measurements. Only one single phase corresponding to the manganite phase was detected without the presence of impurities or iron phases. The hyperfine parameters of Mossbauer spectra (MS), taken at different temperatures for the doped samples, reveal the only presence of Fe3+ ions in octahedral coordination. At low temperatures, the MS spectra were fitted with a model of three components associated to three magnetic phases of iron (ferromagnetic and paramagnetic states). These ordered and not ordered magnetic phases are related to the effects of grain size distribution in LCMFO samples. Finally, significant changes were observed in the saturation magnetization, Curie temperature and coercivity field with increasing of iron doping level.

  4. Moessbauer spectroscopic studies of iron-doped rutile.

    NASA Technical Reports Server (NTRS)

    Stampfl, P. P.; Travis, J. C.; Bielefeld, M. J.

    1973-01-01

    Moessbauer spectra were obtained of single crystal and powdered samples of rutile (TiO2) doped to about one percent by weight in isotopically enriched iron. It is shown that the oxidation state may be reversibly altered in situ. After reduction, the oxygen neighbors of the dopant ion are apparently shifted to accomodate the larger ferrous ion. The agreement of calculated quadrupole splittings with experimental results suggests that impurities and oxygen vacancies are uniformly distributed in powdered samples, giving the dopant ions an 'ideal lattice' local environment. The differences between the single crystal and powder sample hyperfine parameters are attributed to variations in stoichiometry, charge compensation mechanisms, or other diffusion related parameters.

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

    SciTech Connect

    Wakeshima, Makoto; Doi, Yoshihiro; Hinatsu, Yukio

    2001-02-15

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

  6. A Backscatter Moessbauer Spectrometer (BaMS) for use on Mars

    NASA Technical Reports Server (NTRS)

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

    1992-01-01

    The use of Moessbauer spectroscopy for in situ analysis on the surface of Mars was proposed and the design and implementation of a backscatter Moessbauer spectrometer (BaMS) instrument suitable for planetary missions to the surfaces of Mars (MESUR), the Moon (Artemis and lunar outpost), asteroids, or other solid solar system objects is discussed. The BaMS instrument is designed to be capable of analysis of a sample for the mineralogy of its iron-bearing phases without any sample preparation. A requirement of lander missions to Mars is instrumentation for in situ mineralogical analyses. Such analyses provide data needed for primary characterization as to the type of surface materials present and by inference the processes that formed and subsequently modified them. For purposes of providing diagnostic information about naturally occurring materials, the element iron is particularly important because it is abundant and multivalent (primarily 0, +2, and +3 oxidation states). Knowledge of the oxidation state of iron and its distribution among iron-bearing mineralogies tightly constrains the types of materials present. The pivotal role of iron was already recognized in 1978 by COMPLEX, who recommended development of flight instruments that would identify mineralogy and the oxidation state of iron in planetary surface materials. The near-term U.S. strategy for the exploration of Mars is the MESUR (Mars Environmental SURvey) program, which entails emplacement of a network of small, long-lived surface landers. For the Moon, BaMS was recommended as part of a three-instrument landed payload for the Artemis missions, targeted for 1997. BaMS would prospect for ilmenite, an oxygen resource material, and provide data to assess the maturity of lunar soil. Because instrumental characteristics are low mass, low volume, and low power consumption, BaMS is suitable for implementation on even small landers and rovers, as are being envisioned in MESUR and Artemis concepts. In addition

  7. A study of the domain structure of ferrites in the vicinity of the compensation point by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Aliev, Sh. M.; Kamilov, I. K.; Aliev, M. Sh.; Ibaev, Zh. G.

    2016-02-01

    A single-crystal sample of gadolinium ferrite garnet Gd3Fe5O12 was studied by Mössbauer spectroscopy near compensation point T cm ( T cm = 286 K). The relative intensities of absorption lines in 57Fe Mössbauer spectra allow it to be concluded that the domain sizes in ferrite grow with the temperature approaching T cm, with domain structure in the sample disappearing at compensation point T cm.

  8. A {sup 151}Eu Moessbauer spectroscopic and magnetic susceptibility investigation of the intermetallic compounds EuTIn (T = Zn, Pd, Pt, Au)

    SciTech Connect

    Muellmann, R.; Mosel, B.D.; Eckert, H.; Kotzyba, G.; Poettgen, R.

    1998-04-01

    The title compounds were investigated by magnetic susceptibility measurements and {sup 151}Eu Moessbauer spectroscopy. EuZnIn and EuPtIn show Curie-Weiss behavior above 60 K with experimental magnetic moments of 7.80(5) and 8.0(1) {mu}{sub B}/Eu, respectively, indicating divalent europium. The zinc compound orders antiferromagnetically at T{sub N} = 8.0(5) k and two metamagnetic transitions are detected at the critical field strengths B{sub C1} = 1.1(1) T and B{sub C2} = 2.6(2) T. At 5 K the saturation magnetic moment amounts to 7.0(1) {mu}{sub B}/Eu, suggesting a full parallel spin alignment. EuPdIn and EuAuIn order antiferromagnetically at 13.0(5) and 21.0(5) K in low external magnetic fields, respectively. The four compounds are metallic conductors. The Moessbauer measurements of the EuTIn compounds show {sup 151}Eu isomer shifts typical of divalent europium. The isomer shifts are found to linearly correlated with the closest Eu-Eu distance in the structure. Based on the Moessbauer data the onset of magnetic order is observed at T{sub N}(EuZnIn) = 9.5(5) K, T{sub N}(EuPdIn) = 15.5(5) K, T{sub N}(EuAuIn) = 20.0(5) K, and T{sub N}(EuPtIn) = 20.0(5) K, respectively. The magnetically split spectrum of EuZnIn reveals evidence of Eu site inequivalence.

  9. Mössbauer spectroscopy of Fe/S proteins.

    PubMed

    Pandelia, Maria-Eirini; Lanz, Nicholas D; Booker, Squire J; Krebs, Carsten

    2015-06-01

    Iron-sulfur (Fe/S) clusters are structurally and functionally diverse cofactors that are found in all domains of life. (57)Fe Mössbauer spectroscopy is a technique that provides information about the chemical nature of all chemically distinct Fe species contained in a sample, such as Fe oxidation and spin state, nuclearity of a cluster with more than one metal ion, electron spin ground state of the cluster, and delocalization properties in mixed-valent clusters. Moreover, the technique allows for quantitation of all Fe species, when it is used in conjunction with electron paramagnetic resonance (EPR) spectroscopy and analytical methods. (57)Fe-Mössbauer spectroscopy played a pivotal role in unraveling the electronic structures of the "well-established" [2Fe-2S](2+/+), [3Fe-4S](1+/0), and [4Fe-4S](3+/2+/1+/0) clusters and -more-recently- was used to characterize novel Fe/S clustsers, including the [4Fe-3S] cluster of the O2-tolerant hydrogenase from Aquifex aeolicus and the 3Fe-cluster intermediate observed during the reaction of lipoyl synthase, a member of the radical SAM enzyme superfamily. PMID:25498248

  10. [Application of Mossbauer spectroscopy to the study of hemoglobinopathies. Preliminary experience].

    PubMed

    Abreu, M S; Sanchís, M E; Peñalver, J A; Kanter, F

    1989-10-01

    37Fe Moessbauer spectroscopy has been applied to the study of iron deposits in patients with altered iron metabolism. Haematological parameters were also studied in order to analyse their relationship with Moessbauer results. Within the aim of this research, 12 samples of packed red blood cells were analysed: 6 with beta-thalassaemia major, 2 with S-beta-thalassaemia, 1 with sickle cell anaemia and 3 from normal subjects used as control for Moessbauer spectroscopy. Moessbauer spectra of 6 red blood cells samples showed that besides the two components, i.e., oxy and deoxy haemoglobin present in samples of normal subjects, appears a third component with Moessbauer parameters corresponding to ferritin-like iron. Correlation of % transferrin saturation (TS %) with ferritin-like iron (r = 0.90, p less than 0.05) as well as between TS % and the ratio ferritin-like iron/Hb iron (r = 0.91, p less than 0.05) was found. A tendency to correlation of serum ferritin (SF) with ferritin-like iron (r = 0.90, p less than 0.05) as well as between TS % and the ratio ferritin-like iron/Hb iron (r = 0.91, p less than 0.05) was found. A tendency to correlation of SF with ferritin-like iron (r = 0.78) and with the ratio ferritin-like iron/Hb iron, was also observed. It can be concluded that Moessbauer spectroscopy could be a useful technique in the study of this kind of pathology. PMID:2617381

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. Some Improvements in the Design of a CA/CV Moessbauer Velocity Drive

    SciTech Connect

    Seberini, Milan

    2008-10-28

    A constant velocity Moessbauer drive was built with velocity range {+-}15 mm/s and velocity resolution 0.005 mm/s. Based on good experience with its performance, a new universal CA/CV drive was designed. The new drive is supposed to have velocity range of {+-}80 mm/s with a velocity resolution below 0.002 mm/s.

  16. 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)

  17. 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.

  18. 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.

  19. 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.

  20. Moessbauer spectroscopy study of iron-based catalysts used in Fischer-Tropsch synthesis

    SciTech Connect

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

    1995-12-01

    Mossbauer investigations of iron-based catalysts containing the promoters K, and Cu, and binders consisting of oxides of Al, Si and Zr were carried out. Catalysts subjected to pretreatment in gas atmospheres containing mixtures of CO, H{sub 2}, and He have been studied. It is shown that the nature of binders, promoters and pretreatment of a catalyst influence the iron-phases formed during pretreatment and FT synthesis. Activation of the catalysts in CO leads to rapid and almost complete formation of {chi}-Fe{sub 5}C{sub 2} during activation and gives rise to high (H{sub 2}+CO) conversion. On the other hand, activation of the catalysts in synthesis gas leads to slow and incomplete formation of carbides and low (H{sub 2}+CO) conversion.

  1. Time-differential perturbed-angular-correlation and emission Moessbauer studies on {sup 99}Ru dispersed in YBa{sub 2}Cu{sub 3}O{sub 6.8} and YBa{sub 2}Cu{sub 3}O{sub 6}

    SciTech Connect

    Ohkubo, Y.; Kobayashi, Y.; Harasawa, K.; Ambe, S.; Okada, T.; Ambe, F.; Asai, K.; Shibata, S.

    1995-06-29

    The hyperfine interactions at {sup 99}Ru({sup $IMP@99}Rh) dispersed in YBa{sub 2}Cu{sub 3}O{sub 6.8} and YBa{sub 2}Cu{sub 3}O{sub 6} were studied by means of time-differential perturbed-angular-correlation (TDPAC) and emission Moessbauer spectroscopy. The TDPAC and Moessbauer measurements show that Ru ions are in the tetravalent state and exclusively occupy the Cu-1 sites, which form one-dimensional Cu-O chains in the orthorhombic phase. The oxygen coordinations around the Ru ions are discussed on the basis of the observed electric field gradients at {sup 99}Ru in YBa{sub 2}Cu{sub 3}O{sub 6.8} and YBa{sub 2}Cu{sub 3}O{sub 6}. 35 refs., 6 figs., 1 tab.

  2. 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.

  3. Attempt to measure magnetic hyperfine fields in metallic thin wires under spin Hall conditions using synchrotron-radiation Mössbauer spectroscopy

    SciTech Connect

    Mibu, K. Tanaka, M. A.; Mitsui, T.; Masuda, R.; Kitao, S.; Kobayashi, Y.; Seto, M.; Yoda, Y.

    2015-05-07

    Measurement of the magnetic hyperfine fields in metallic thin wires under spin Hall conditions was attempted using the emerging technique, synchrotron-radiation Mössbauer spectroscopy. A Mössbauer probe layer of {sup 57}Fe (0.2 nm), {sup 57}Fe (0.6 nm), or {sup 119}Sn (0.6 nm) was embedded as an electron spin detector near the surfaces of V, Au, Pt, and {sup 56}Fe wires. The magnitudes of the magnetic hyperfine fields at the {sup 57}Fe and {sup 119}Sn nuclear sites that could be enhanced by non-equilibrium conduction-electron spin polarization were measured both without and with the application of an electric current along the wire. Changes in the Mössbauer spectra were not clearly observed, indicating that the magnetic hyperfine field induced by non-equilibrium spin polarization is smaller than the detection limit at least for the measured systems and conditions.

  4. Moessbauer studies on LaNi(4.7)Sn(0.3) and its hydride

    NASA Technical Reports Server (NTRS)

    Oliver, F. W.; Morgan, W.; Hammond, E. C.; Wood, S.; May, L.

    1985-01-01

    Moessbauer measurements were made on LaNi(4.7)Sn(0.3) at room and liquid nitrogen temperatures. Experimental data yielded a singlet at room temperature and a doublet at liquid-nitrogen temperature. Spectra of the hydrided sample yielded a doublet at liquid-nitrogen temperature with an increase in the quadrupole splitting compared to the unhydrided spectra, but no change in the isomer shift. These data indicate that there is no significant interaction between the tin and the hydrogen. The magnetic character remained the same down to liquid-nitrogen temperature as evidenced by the Moessbauer data. X-ray diffraction measurements on the hydride showed an expanded lattice with the same structure as found for the unhydrided sample. A decrease in particle size was observed upon hydriding.

  5. 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.

  6. Studies of Fe/sup 2 +/. -->. Fe/sup 3 +/ transitions during the process of rock weathering by nuclear gamma-resonance spectroscopy

    SciTech Connect

    Vasil'ev, S.P.; Babanin, V.F.; Solov'ev, A.A.

    1986-11-01

    This paper presents a method for the mineral and weathering assessment of rocks and carbonaceous matter based in gamma spectroscopy and transitions between iron ions. The method is applied to rocks collected near the Teberda preserve. Four latitudinal bands of rocks parallel to the Greater Caucasus Ridge are identified in this territory. Isomer shift and hyperfine parameters of the Moessbauer spectra are given.

  7. 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).

  8. 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.

  9. 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.

  10. 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.

  11. Mössbauer spectroscopy monitoring the spin transition of a FeII 1D chain with a fluorinated 4-R-1,2,4-triazole

    NASA Astrophysics Data System (ADS)

    Railliet, Antoine P.; Naik, Anil D.; Rotaru, Aurelian; Garcia, Yann

    2014-04-01

    The spin transition properties of [Fe(fletrz)3](BF4)2•2H2O are described. Fletrz (4-(2'-fluoroethyl)-4H-1,2,4-triazole) is a novel fluorine substituted 1,2,4-triazole ligand which forms 1D chain upon self-assembly with FeII ions. This coordination polymer exhibits reversible abrupt thermochromic spin transition that has been probed by SQUID magnetometry, variable temperature 57Fe Mossbauer spectroscopy (77-300 K) and differential scanning calorimetry (100-300 K).

  12. 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. PMID:23955030

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. Magnetic Texturing of Xenon-Irradiated Iron Films Studied by Magnetic Orientation Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Müller, G. A.; Lieb, K. P.; Carpene, E.; Zhang, K.; Schaaf, P.; Faupel, J.; Krebs, H. U.

    2004-11-01

    Modifications of magnetic properties upon heavy-ion irradiation have been recently investigated for films of ferromagnetic 3d-elements (Fe, Ni, Co) and alloys (permendur, permalloy), in relation to changes of their microstructure. Here we report on Xe-ion irradiation of a highly textured iron film prepared via pulsed-laser deposition on a MgO(100) single crystal and containing a thin 57Fe marker layer for magnetic orientation Mössbauer spectroscopy (MOMS). We compare the results with those obtained for a polycrystalline Fe/Si(100) sample produced by electron evaporation and premagnetized before Xe-irradiation in a 300 Oe external field. Characterization of the samples also included magneto-optical Kerr effect (MOKE), Rutherford backscattering spectroscopy (RBS) and X-ray diffraction (XRD).

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Moessbauer and SANS Studies of Anti-Invar Fe-Ni-C Alloy under Magnetic Field

    SciTech Connect

    Nadutov, V. M.; Kosintsev, S. G.; Svystunov, Ye. O.; Garamus, V. M.; Willumeit, R.; Eckerlebe, H.; Ericsson, T.; Annersten, H.

    2010-07-13

    Anti-Invar effect in the f.c.c.-Fe-25.3%Ni-C alloy was revealed, i.e., enhanced thermal expansion coefficient (TEC)({approx}20x10{sup -6} K{sup -1}) which was accompanied by almost temperature-insensitive behavior in a temperature range of 122-525 K that was considerably expanded to the low temperature range due to alloying with carbon. The Moessbauer and small-angle neutron scattering (SANS) experiments with the varying temperature and in an external magnetic field of 1.5-5 T have revealed an existence of inhomogeneous magnetic order in anti-Invar alloy below and above the magnetic transition point. The anti-Invar behavior correlates with the thermally induced change in the magnetic order and interspin interaction.

  5. 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.

  6. Moessbauer studies of pressure-induced amorphization in the molecular crystal SnBr{sub 4}

    SciTech Connect

    Hearne, G.R.; Pasternak, M.P. |; Taylor, R.D.

    1995-10-01

    A single line spectrum is characteristic of the Moessbauer data obtained in the 0--5 GPa range, indicating the preservation of fourfold symmetry of the SnBr{sub 4} molecule in the crystal. Above 5 GPa, near {ital P}{sub {ital c}}, a {ital quadruple} {ital interaction} takes place concurrent with a dramatic increase in the {ital recoil{minus}free} {ital fraction} $({ital f})---. The value of the quadrupole splitting reaches a maximum of 0.9 mm/s at {ital P}{similar_to}15 GPa and remains constant thereafter. By {similar_to}9 GPa the absorption area, which is proportional to {ital f}, increases by 30--40 % over the lowest pressure value and then remains constant at higher pressure. These results are consistent with the formation of a molecular species, e.g., a (SnBr{sub 4}){sub 2} dimer, lacking the {ital T}{sub {ital d}} symmetry at the original Sn{sup 4+} site and having optical phonons {ital hard} enough not to be excited by the nuclear recoil process. Molecular association into (SnBr{sub 4}){sub 2} dimers, the building block of the high-pressure disordered state, also explains many of the experimental features of the Raman data. Upon decompression, Moessbauer (and Raman) data suggest that these dimers dissociate into monomers at {similar_to}5 GPa; however, a disordered structure of SnBr{sub 4} persists as pressure is decreased further. Crystallization is fully recovered below 1 GPa. The nature of the pressure-induced amorphization of the insulator SnBr{sub 4} is discussed in terms of the structural and valence properties of the analogous metallic SnI{sub 4}.

  7. Energy calibration issues in nuclear resonant vibrational spectroscopy: observing small spectral shifts and making fast calibrations

    PubMed Central

    Wang, Hongxin; Yoda, Yoshitaka; Dong, Weibing; Huang, Songping D.

    2013-01-01

    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%-57Fe-enriched [Fe4S4Cl4]= and 10%-57Fe and 90%-54Fe 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. PMID:23955030

  8. Lattice dynamics in the FeSb[subscript 3] skutterudite

    SciTech Connect

    Moechel, A.; Sergueev, I.; Nguyen, N.; Long, Gary J.; Grandjean, Fernande; Johnson, D.C.; Hermann, R.P.

    2011-11-17

    Thin films of FeSb{sub 3} were characterized by electronic transport, magnetometry, x-ray diffraction, {sup 57}Fe and {sup 121}Sb nuclear inelastic scattering, and {sup 57}Fe Moessbauer spectroscopy. Resistivity and magnetometry measurements reveal semiconducting behavior with a 16.3(4) meV band gap and an effective paramagnetic moment of 0.57(6) {mu}B, respectively. A systematic comparison of the lattice dynamics with CoSb{sub 3} and EuFe{sub 4}Sb{sub 12} reveals that the Fe{sub 4}Sb{sub 12} framework is softer than the Co{sub 4}Sb{sub 12} framework, and that the observed softening and the associated lowering of the lattice thermal conductivity in the RFe{sub 4}Sb{sub 12} filled skutterudites are not only related to the filler but also to the Fe{sub 4}Sb{sub 12} framework.

  9. Behavior of iron in (Mg,Fe)SiO[subscript 3] post-perovskite assemblages at Mbar pressures

    SciTech Connect

    Jackson, Jennifer M.; Sturhahn, Wolfgang; Tschauner, Oliver; Lerche, Michael; Fei, Yingwei

    2010-10-04

    The electronic environment of the iron sites in postperovskite (PPv) structured ({sup 57}Fe,Mg)SiO{sub 3} has been measured in-situ at 1.12 and 1.19 Mbar at room temperature using {sup 57}Fe synchrotron Moessbauer spectroscopy. Evaluation of the time spectra reveals two distinct iron sites, which are well distinguished by their hyperfine fields. The dominant site is consistent with an Fe{sup 3+}-like site in a high spin state. The second site is characterized by a small negative isomer shift with respect to {alpha}-iron and no quadrupole splitting, consistent with a metallic iron phase. Combined with SEM/ EDS analyses of the quenched assemblage, our results are consistent with the presence of a metallic iron phase coexisting with a ferric-rich PPv. Such a reaction pathway may aid in our understanding of the chemical evolution of Earth's core-mantle-boundary region.

  10. 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].

  11. Moessbauer study of microstructural and chemical changes in Fe-9Ni steel during two-phase tempering

    SciTech Connect

    Fultz, B.; Morris, J.W. Jr.

    1980-11-01

    Two-phase tempering of martensitic Fe-9Ni steel serves to enhance the low temperature toughness and forms austenite precipitates in this material. Hyperfine field effects in Fe-Ni alloys were systematized so that tempering induced chemical composition changes in the martensite could be quantified by Moessbauer spectrometry. The kinetics of segregation of alloy elements from the martensite into the fresh austenite can be determined simultaneously with the amount of austenite which was formed.

  12. Site location of Co in {beta}-FeSi{sub 2}

    SciTech Connect

    Dezsi, I.; Fetzer, Cs.; Kiss, M.; Degroote, S.; Vantomme, A.

    2005-10-01

    In order to reveal cationic site preference in {beta}-FeSi{sub 2}, Co-substituted samples synthesized by various techniques such as molecular beam epitaxy, ion implantation, and chemical vapor transport were investigated by {sup 57}Fe conversion electron Moessbauer (CEM) as well as {sup 57}Co Moessbauer emission (ME) spectroscopy. Literature on the structure of {beta}-FeSi{sub 2} is somewhat contradictory, especially on the point of the population of the two iron sites in the orthorhombic structure. {sup 57}Co ME and {sup 57}Fe CEM spectra both showed two quadrupole split spectral components in the crystalline phase. Hyperfine parameters indicate that Co atoms substitute Fe in both Fe positions in the orthorhombic lattice. The aim of the present study was to get reliable results on the relative population of the two iron sites and determine the substitution of the iron sites by Co atoms in the {beta}-FeSi{sub 2} lattice. The relative intensities of the two components in the absorption and emission Moessbauer spectra were found to be very similar for the samples prepared by different techniques, indicating a homogeneous distribution of Co on both Fe sites.

  13. Resonance Counters as the Best Tool for the Investigations in Material Science

    SciTech Connect

    Belyaev, A. A.; Irkaev, S. M.; Panchuck, V. V.; Semenov, V. G.; Volodin, V. S.

    2008-10-28

    Sensitivity and resolution play a crucial role when Moessbauer spectroscopy is used in the materials science. Application of resonance counters in Moessbauer spectrometers allows us to increase the parameters mentioned above, and also signal-to-noise ratio considerably. The last one provides diminishing the time needed for obtaining given statistical accuracy. We carried out investigations of development of optimal counters for following isotopes: {sup 57}Fe, {sup 119}Sn, and {sup 151}Eu. Influence of different parameters of resonant radiation converters on experimental results was considered theoretically. Optimization of design has been performed using mathematical modeling based on Monte-Carlo method. Comparison of different types of counters used for resonant detecting was carried out. Results of experimental works on selection of efficient radiation converters are given. Comparison of scintillation and gas resonance counters was carried out. FeAl and FeGe{sub 2} alloys and K{sub 2}MgFe(CN){sub 6} have been used as converters for experiments with {sup 57}Fe-isotope, CaSnO{sub 3} has been used for {sup 119}Sn and Eu{sub 2}O{sub 3} and EuF{sub 3}--for {sup 151}Eu isotope. Gamma-optical scheme for versatile spectrometer, which expands the range of application of resonant detection for other Moessbauer isotopes, was suggested.

  14. Moessbauer spectroscopic investigations of bimetallic FeCo, FeNi, and FeRu model catalysts supported on magnesium hydroxide carbonate

    SciTech Connect

    Nagorny, K.; Bubert, S.

    1987-11-01

    FeCo, FeNi, and FeRu alloys supported on basic magnesium carbonate have been prepared by precipitation from salt solutions at 340 K onto the support using ion exchange and have been subsequently annealed for 20 h under argon. The reduction, oxidation, and sintering behavior of the samples under H/sub 2/ or CO exposure has been investigated at 723 K by means of Moessbauer spectroscopy. The comparison of the resonance absorption areas of the spectra taken at 4 and 295 K allowed the calculation of the Debye temperatures and Debye-Waller factors of the different components. From the Debye-Waller factors the relative fractions could be extrapolated to the conditions at 0 K. The kinetics of the H/sub 2/ exposure showed an increase in the reduction velocity as well as in the degree of reduction in the sequence FeCo < FeNi < FeRu. Above a critical particle diameter a phase separation occurred because of the segregation of an iron-rich phase at the surface of the alloy particles. The kinetics of the CO exposure demonstrated that with FeCo clusters iron(III) surface oxide layers form, whereas with FeNi clusters iron(II) surface oxide layers are generated. FeCo clusters with a cobalt content of 25% form only unstable surface carbides, whereas clusters with a cobalt content of about 5% form stable bulk carbides. The velocity of carbide formation increases with decreasing particle size. Based on the present data a model is proposed which explains the behavior of FeMe/magnesium hydroxide carbonates catalysts in H/sub 2/ and CO atmospheres.

  15. Magnetic and Moessbauer studies of Apollo 16 rock chips 60315,51 and 62295,27

    NASA Technical Reports Server (NTRS)

    Brecher, A.; Vaughan, D. J.; Burns, R. G.

    1973-01-01

    Analysis of the Moessbauer spectra of two Apollo 16 rocks showed that 60315,51 is much richer in iron metal and troilite, but poorer in olivine, than 62295,27. The values of magnetic parameters, derived from hysteresis loops at 175 and 300 K, indicate the high metal contents and the predominance of coarse multidomain grains in both rocks. These coexist with a superparamagnetic grain fraction in 60315 and with a small single-domain grain fraction in 62295. The high Fe(0)/Fe(2+) ratios, the nonlinear acquisition of laboratory thermoremanence, and the drastic changes in magnetic parameters upon heating support the proposed formation of both rocks from the lunar regolith, with incorporation of shocked meteoritic metal grains during high-temperature impact events and simultaneous acquisition of magnetic remanence. Values estimated for ancient lunar magnetic fields by comparing the natural remanence with laboratory thermoremanence acquired in fields of 0.05 and 0.5 Oe, range from 0.01 to more than 1 Oe.

  16. 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.

  17. A weak magnetism observed in SnO2 doped with Fe by means of Perturbed Gamma-Gamma Angular Correlation and Mössbauer Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ramos, J. M.; Carbonari, A. W.; Martucci, T.; Costa, M. S.; Cabrera-Pasca, G. A.; Macedo, M. A. V.; Saxena, R. N.

    Nano-structured samples of SnO2 doped with Fe prepared by the sol-gel method were studied by the Perturbed Gamma-Gamma Angular Correlation (PAC) Spectroscopy using 111In (111Cd) probe nuclei as well as by 57Fe Mšssbauer spectroscopy. The samples were prepared from very pure metallic Sn and Fe. Carrier-free 111In nuclei were introduced during the sol-gel process of sample preparation for PAC measurements. The PAC measurements were carried out after annealing the samples at different temperatures and the results show a combined electric quadrupole and magnetic dipole interaction for probe nuclei that do not occupy the regular Sn sites. The hyperfine parameters revealed weak magnetic interactions.

  18. Characterization of Maghsail meteorite from Oman by Mössbauer spectroscopy, X-ray diffraction and petrographic microscopy

    NASA Astrophysics Data System (ADS)

    Al-Rawas, A. D.; Gismelseed, A. M.; Al-Kathiri, A. F.; Elzain, M. E.; Yousif, A. A.; Al-Kathiri, S. B.; Widatallah, H. M.; Abdalla, S. B.

    2008-09-01

    The meteorite found at Maghsail (16 55 70 N 53 46 69 E) west of Salalah Oman, has been studied by 57Fe Mössbauer spectroscopy, X-diffractometry and petrographic microscopy. In the polished section the meteorite exhibits a porphyritic texture consisting of pyroxene and olivine phenocrysts in a fine to medium grained ground mass in addition to minor phases possibly skeletal chromite, troilite and minute amount of iron oxides. X-ray diffraction supports the existence of these compounds. The Mössbauer spectra of powdered material from the core of the rock at 298 K and 78 K exhibit a mixture of magnetic and paramagnetic components. The paramagnetic components are assigned to the silicate minerals olivine and pyroxene. On the other hand, the magnetic spectra reveal the presence of troilite and iron oxides. The petrographic analyses indicate that the iron oxides are terrestrial alteration products.

  19. 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.

  20. Mössbauer spectroscopy and the structure of interfaces on the atomic scale in metallic nanosystems

    NASA Astrophysics Data System (ADS)

    Uzdin, V. M.

    2007-10-01

    A microscopic model of the formation of an alloy on the interface has been constructed, which takes into account the exchange of atoms with the substrate atoms and the “floating up” of the latter into the upper layers in the process of epitaxial growth. The self-consistent calculations of atomic magnetic moments of spatially inhomogeneous structures obtained in this case are used for the interpretation of data of Mössbauer spectroscopy. The proposed scenario of mixing leads to the appearance of a preferred direction in the sample and the asymmetry of interfaces in the direction of epitaxial growth. In the multilayer M 1/ M 2 ( M 1,2 = Fe, Cr, V, Sn, or Ag) systems, this asymmetry makes it possible to understand the difference in the magnetic behavior of M 1-on M 2 and M 2-on- M 1 interfaces which has been observed experimentally. The correlation between the calculated distributions of magnetic moments and the measured distributions of hyperfine fields at iron atoms confirms the assumption about their proportionality for a broad class of metallic multilayer systems. However, a linear decrease of hyperfine fields at the 57Fe nuclei with increasing number of impurity atoms among the nearest and next-nearest neighbors is not confirmed for Fe/Cr systems, although is correct in Fe/V superlattices. In the Fe/Cr multilayer systems, the experimentally measured value of magnetoresistance grows with increasing fraction of the “floated up” atoms of 57Fe. Thus, it is the bulk scattering by impurity atoms that gives the basic contribution to the effect of giant magnetoresistance. The problem of the influence of mixing and adsorption of hydrogen in the vanadium layers on the state of the spin-density wave in V/Cr superlattices has been considered.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Mossbauer Spectroscopy.

    ERIC Educational Resources Information Center

    Stevens, John G.; Bowen, Lawrence H.

    1980-01-01

    Reviews current research in Mossbauer spectroscopy, including instrumentation and experimental techniques, spectral analysis, catalysts and surfaces, environmental studies, medical applications and atmospheric air studies. Cites 346 references. (CS)

  6. Local atomic arrangement in mechanosynthesized Co x Fe1-x-y Ni y alloys studied by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Pikula, Tomasz

    2014-07-01

    Mechanosynthesized Co x Fe1-x-y Ni y alloys were examined using X-ray diffraction (XRD) and Mössbauer spectroscopy. In order to explain the shape of hyperfine magnetic field (HMF) distributions for the alloys, a local environment model based on a multinomial distribution was proposed. The model was in agreement with the XRD data and confirmed that the studied alloys were disordered solid solutions. It was successfully applied to describe the samples with bcc and fcc crystalline lattice type within the relatively broad range of components concentration. The results showed that the change of the crystalline lattice type does not cause an abrupt change of the HMF value. Moreover, a mean number of unpaired spins for the first coordination sphere may be used as a parameter to describe the HMF value experienced by 57Fe nucleus. Finally, a set of the most probable atomic configurations and their corresponding contributions to the HMF distribution were obtained.

  7. 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…

  8. 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.

  9. Raman and Mossbauer spectroscopy and X-ray diffractometry studies on quenched copper-ferri-aluminates.

    PubMed

    Modi, Kunal B; Raval, Pooja Y; Shah, Suraj J; Kathad, Chetan R; Dulera, Sonal V; Popat, Mansi V; Zankat, Kiritsinh B; Saija, Kiran G; Pathak, Tushar K; Vasoya, Nimish H; Lakhani, Vinay K; Chandra, Usha; Jha, Prafulla K

    2015-02-16

    Four spinel ferrite compositions of the CuAl(x)Fe(2-x)O4, x = 0.0, 0.2, 0.4, 0.6, system prepared by usual double-sintering ceramic route and quenched (rapid thermal cooling) from final sintering temperature (1373 K) to liquid nitrogen temperature (80 K) were investigated by employing X-ray powder diffractometry, (57)Fe Mossbauer spectroscopy, and micro-Raman spectroscopy at 300 K. The Raman spectra collected in the wavenumber range of 100-1000 cm(-1) were analyzed in a systematic manner and showed five predicted modes for the spinel structure and splitting of A1g Raman mode into two/three energy values, attributed to peaks belonging to each ion (Cu(2+), Fe(3+), and Al(3+)) in the tetrahedral positions. The suppression of lower-frequency peaks was explained on the basis of weakening in magnetic coupling and reduction in ferrimagnetic behavior as well as increase in stress induced by square bond formation on Al(3+) substitution. The enhancement in intensity, random variation of line width, and blue shift for highest frequency peak corresponding to A1g mode were observed. The ferric ion (Fe(3+)) concentration for different compositions determined from Raman spectral analysis agrees well with that deduced by means of X-ray diffraction line-intensity calculations and Mossbauer spectral analysis. An attempt was made to determine elastic and thermodynamic properties from Raman spectral analysis and elastic constants from cation distribution. PMID:25594232

  10. 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.

  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. 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)

  13. Space spectroscopy

    SciTech Connect

    Krupa, Tyler J.

    2000-02-01

    Los Alamos researchers have developed a technique to determine the composition of rock samples despite weather-induced mineral varnish deposited on the rocks. Using laser-induced breakdown spectroscopy (LIBS), the researchers determined the true elemental composition of a Mojave Desert rock sample with a thick weather-induced deposit on it. (AIP) (c)

  14. Characterization of the Fe Site in Iron-Sulfur-Cluster-Free Hydrogenase (Hmd) and of a Model Compound via Nuclear Resonance Vibrational Spectroscopy (NRVS)

    PubMed Central

    Guo, Yisong; Wang, Hongxin; Xiao, Yuming; vogt, Sonja; Shima, Seigo; Volkers, Phillip I.; Pelmentschikov, Vladimir; Alp, Ercan E.; Sturhahn, Wolfgang; Yada, Yoshitaka

    2009-01-01

    We have used 57Fe nuclear resonance vibrational spectroscopy (NRVS) to study the iron site in the iron-sulfur-cluster-free hydrogenase Hmd from the methanogenic archaeon Methanothermobacter marburgensis. The spectra have been interpreted by comparison with a cis-(CO)2-ligated Fe model compound, Fe(S2C2H4)(CO)2(PMe3)2, as well as by normal mode simulations of plausible active site structures. For this model complex, normal mode analyses both from an optimized Urey-Bradley force field and from complementary density functional theory (DFT) calculations produced consistent results. Previous IR spectroscopic studies found strong CO stretching modes at 1944 and 2011 cm−1, interpreted as evidence for cis-Fe(CO)2 ligation. The NRVS data provide further insight into the dynamics of the Fe site, revealing Fe-CO stretch and Fe-CO bend modes at 494, 562, 590, and 648 cm−1, consistent with the proposed cis-Fe(CO)2 ligation. The NRVS also reveals a band assigned to Fe-S stretching motion at ~311 cm−1, and another reproducible feature at ~380 cm−1. The 57Fe partial vibrational densities of states (PVDOS) for Hmd can be reasonably well simulated by a normal mode analysis based on a Urey-Bradley force field for a 5-coordinate cis-(CO)2-ligated Fe site with additional cysteine, water, and pyridone cofactor ligands. A final interpretation of the Hmd NRVS data, including DFT analysis, awaits a 3-dimensional structure for the active site. PMID:18407624

  15. Magnetic structure of Sr{sub 2}Fe{sub 2}O{sub 5} brownmillerite by single-crystal Mössbauer spectroscopy

    SciTech Connect

    Waerenborgh, J.C.; Auckett, J.E.; Ling, C.D.; Kharton, V.V.

    2013-09-15

    In order to determine orientation of the Fe{sup 3+} magnetic moments and electric field gradient (efg) axes in the brownmillerite-type strontium ferrite structure for both iron sublattices where the efg tensor is not axially symmetric, the Mössbauer spectra of powdered and oriented single-crystal Sr{sub 2}Fe{sub 2}O{sub 5} were analyzed by solving the complete Hamiltonian for hyperfine interactions in the excited and ground states of the {sup 57}Fe nuclei. The magnetic moments of both octahedrally and tetrahedrally coordinated iron cations lie on the ac-plane of the orthorhombic unit cell and are parallel to the shortest c-axis, whilst the main efg axes are parallel to the longest crystallographic axis, b. This orientation is similar to that in Ca{sub 2}Fe{sub 2}O{sub 5}, in spite of the structural differences of strontium and calcium ferrite brownmillerites at low temperatures. - Graphical abstract: Mössbauer spectra of powdered and oriented single-crystal Sr{sub 2}Fe{sub 2}O{sub 5}, analyzed by solving the complete Hamiltonian for hyperfine interactions in the excited and ground states of the {sup 57}Fe nuclei, show that the magnetic moments of both octahedrally and tetrahedrally coordinated iron cations are parallel to the shortest c-axis of the orthorhombic brownmillerite unit cell . Display Omitted - Highlights: • Single-crystal Mössbauer spectroscopy is used to study magnetic structure of Sr{sub 2}Fe{sub 2}O{sub 5}. • Complete Hamiltonian for hyperfine interactions in excited and ground states was solved. • Fe{sup 3+} magnetic moments are parallel to the shortest crystallographic axis c. • The orientation of nuclear electric field gradient is similar to that in Ca{sub 2}Fe{sub 2}O{sub 5}.

  16. 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.

  17. 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].

  18. 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.

  19. 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

  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. Raman spectroscopy

    SciTech Connect

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

    1986-04-01

    The period of this review is from late 1983 to late 1985. During this time over 5000 papers have appeared in the scientific literature dealing with many applications of Raman spectroscopy and extending its use to several new areas of study. As in the previous review in this series most of the applications relevant to solids are covered in one or other of the ten categories, which are the same as those used previously. However, aspects relating to solids which are not covered elsewhere include general reviews and the specific field of semiconductors. This is an area of great current interest in terms of Raman spectroscopy and the characterization of semiconductor materials and surfaces has been reported. Raman scattering also provides a new probe for the elucidation of structural properties of microcrystalline silicon and resonance Raman scattering in silicon at elevated temperatures has been studied. Many studies on carbon have also appeared in the literature including that of the various types of carbon, the use of Raman scattering to investigate disorder and crystallite formation in annealed carbon, in situ studies of intercalation kinetics, structural aspects of cokes and coals, and instrumentation for coal gasification. Raman spectroscopy has been applied to such diverse systems as organic crystals, the determination of modifications in layered crystals, the detection of explosives on silica gel or carbon, diagnostics of heterogeneous chemical processes, and a study of tungsten-halogen bulbs. Laser Raman spectroscopy has also been coupled with liquid chromatography and phase-resolved background suppression has been used to enhance Raman spectra. 397 references.

  2. 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

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

    PubMed

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

    2010-09-01

    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). PMID:21403301

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

    NASA Astrophysics Data System (ADS)

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

    2010-09-01

    Bismuth ferrite ceramics (BiFeO3) 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 (Bi1 - xEuxFeO3, 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 Eu3 + doping at the Bi site results in better magnetic properties. High temperature 57Fe Mossbauer data and Fe K-edge XAFS results show that FeO6 octahedron distortions reduce with Eu3 + doping. It is conclusively shown that the observed magnetic properties in BiFeO3 with chemical substitution (Eu) are mainly due to the structural distortions and not due to Fe multiple valence. 151Eu Mossbauer measurements show that the Eu3 + (Bi3 + ) site is magnetically inactive in BiFeO3.

  5. Rhyolite-dacite-trachyandesite association: a Mössbauer spectroscopy study

    NASA Astrophysics Data System (ADS)

    Hassan, K. M.

    2009-07-01

    Three volcanic dykes, rhyolite, dacite and trachyandesite cutting a radioactive granite, located between Latitudes 22° 47' 396″-22° 47' 884″ N and Longitudes 31° 54' 883″-31° 54' 894″ E in the south Western Desert of Egypt were sampled and analyzed by X-ray diffraction, 57Fe Mössbauer spectroscopy and chemical method. They are consisted of feldspar and quartz together with some paramagnetic minerals including aegirine plus minor riebeckite in the rhyolite; aegirine plus some riebeckite in the dacite; and riebeckite plus trace aegirine in the trachyandesite, respectively. The bulk content of iron in each dyke has characteristic ferric-quadrupole splitting and oxidation values: 0.29 millimeters per second (mm/s) and 100% for rhyolite; 0.31 mm/s and 82% for dacite; and 0.35 mm/s and 0.69% for trachyandesite. Variations in the quadrupole splitting have been attributed to changes from the local crystal chemistry, while the oxidation variations are source-related.

  6. 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.

  7. 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.

  8. Attosecond Spectroscopy

    NASA Astrophysics Data System (ADS)

    Schultze, Martin

    2011-05-01

    Attosecond spectroscopy is enabled by the advent of intense ultrashort light pulses comprising merely a few wave cycles. Manipulating the hyperfast-varying electric field evolution of these pulses permits the manipulation and tracking of the atomic-scale motion of electrons. A striking implication of this ability is the generation and characterization of isolated attosecond pulses of extreme ultraviolet (XUV) light and their characterization. Spectroscopic techniques making use of the unprecedented temporal resolution that attosecond XUV pulses offer can track and control electron dynamics in the interior of atoms, molecules as well as in solids and provide insight in the evolution of ultrafast electronic population dynamics and related coherent processes. Attosecond technology in combination with conventional electron spectroscopy, dubbed ``attosecond streaking'' investigates the timing of photoemission and electronic transport processes on solid surfaces. The extension of transient absorption measurement schemes makes coherent electronic dynamics accessible and the effects that ultrastrong and -short laser electric fields exert on the electronic structure of matter and the band structure population dynamics.

  9. Moessbauer effect and X-ray distribution function analysis in complex Na{sub 2}O-CaO-ZnO-Fe{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-SiO{sub 2} glasses and glass-ceramics

    SciTech Connect

    Romero, M.; Rincon, J.M.; Musik, S.; Kozhukharov, V.

    1999-05-01

    Moessbauer spectroscopy at room temperature was carried out to determine the state of iron ions in complex glasses and glass-ceramics in the SiO{sub 2}-CaO-ZnO-Na{sub 2}O-Fe{sub 2}O{sub 3}-Al{sub 2}O{sub 3} system. Isomer shift values of the glasses suggest that Fe{sup 3+} and Fe{sup 2+} are in tetrahedral and octahedral coordination, respectively. The spectrum of the glass-ceramic shows that about 60 wt% total iron is in the magnetite phase. The Fe{sup +3}/Fe{sup +2} ratio varies with the total iron oxide content of the glasses, indicating that the vitreous network is more distorted when the iron content is greater. X-ray diffraction measurements were carried out to obtain the radial distribution function (RDF). The interatomic distances for Si-Si and Si-O have been determined. The complex composition of these glasses does not allow the estimation of Al-O and Fe-O distances.

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

    NASA Astrophysics Data System (ADS)

    Ratner, E.; Ron, M.

    1982-05-01

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

  11. 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.

  12. 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.

  13. 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.

  14. Planetary spectroscopy

    NASA Technical Reports Server (NTRS)

    Fink, Uwe

    1988-01-01

    The main goal of the research is charge coupled device (CCD) spectroscopic and imaging studies of the solar system in support of spacecraft investigations. Studies include the physical behavior of comets, the atmosphere of the gaseous planets, and the solid surfaces of satellites and asteroids. The major observing program consisted of approximately 50 nights of photometry of Comet Halley in order to resolve the controversy over this comet's rotation period. This data is presently being analyzed. Additional observing projects included the spectroscopic occultation of Charon by Pluto, reflection spectroscopy of Mercury, and a spectrum of the satellite Oberon. Mercury data does not corroborate the Fe(++) absorption feature reported by McCord and Clark at 8800 A but instead potentially shows a weaker feature at longer wavelengths. This position is in much closer accord with expectations for Mercury since a band center near 8800 A implies too little Fe(++) on Mercury, especially if band shifts with temperature are considered. The Pluto project proved that the deep methane absorptions visible in their combined specta are due soley to Pluto with Charon showing a flat and featureless spectrum. It appears that if Charon ever contained a substantial methane component, the satellite's low surface gravity could not hold it and the methane evaporated and escaped.

  15. 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.

  16. Baryon spectroscopy

    SciTech Connect

    Klempt, Eberhard; Richard, Jean-Marc

    2010-04-15

    About 120 baryons and baryon resonances are known, from the abundant nucleon with u and d light-quark constituents up to the {Xi}{sub b}{sup -}=(bsd), which contains one quark of each generation and to the recently discovered {Omega}{sub b}{sup -}=(bss). In spite of this impressively large number of states, the underlying mechanisms leading to the excitation spectrum are not yet understood. Heavy-quark baryons suffer from a lack of known spin parities. In the light-quark sector, quark-model calculations have met with considerable success in explaining the low-mass excitations spectrum but some important aspects such as the mass degeneracy of positive-parity and negative-parity baryon excitations remain unclear. At high masses, above 1.8 GeV, quark models predict a very high density of resonances per mass interval which is not yet observed. In this review, issues are identified discriminating between different views of the resonance spectrum; prospects are discussed on how open questions in baryon spectroscopy may find answers from photoproduction and electroproduction experiments which are presently carried out in various laboratories.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. Differential Moessbauer spectrometer

    SciTech Connect

    Kurinyi, Yu.A.; Grotov, Yu.D.

    1988-07-01

    A spectrometer is described that permits hardware differentiation of spectra with respect to the energy of gamma radiation, specimen temperature, etc. Differentiation is performed by secondary modulation of source motion with subsequent phase-sensitive detection at the harmonics. The spectrometer is CAMAC-compatible and permits simultaneous measurement of the first four harmonics.

  3. 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.

  4. 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.

  5. Fe-57 and Sn-119 Moessbauer study of La2CuO(4-y), YBa2Cu3O(7-y) and SmBa2Cu3O(7-y)

    NASA Technical Reports Server (NTRS)

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

    1988-01-01

    Moessbauer studies reveal antiferromagnetic order in doped La2CuO(4-7): at 77 K, H = 476 kOe at Fe-57 and H is less that 10 kOe at Sn-119. Split-source and conventional absorber experiments on RBa2Cu3O(7-y) (R = Y, Sm) are consistent with occupation of 3 sites by Fe-57, the relative population depending on sample preparation and Fe concentration.

  6. 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.

  7. 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.

  8. Electron-impact spectroscopy

    NASA Technical Reports Server (NTRS)

    Trajmar, S.

    1990-01-01

    The methods of electron impact spectroscopy and cross section measurements are discussed and compared to optical spectroscopy. A brief summary of the status of this field and the available data is given.

  9. Novel melting investigations of iron at high-pressure using synchrotron Mossbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Jackson, J. M.; Sturhahn, W.; Lerche, M.; Zhao, J.; Sinogeikin, S. V.; Lakshtanov, D. L.; Bass, J. D.; Murakami, M.

    2005-12-01

    Seismological observations show that Earth's iron-dominated core consists of a solid inner region surrounded by a liquid outer core. The melting temperature of iron at high-pressure therefore provides a bound on the temperature regime of the core. Previously, melting studies of iron metal at high-pressures were performed by shock-compression, resistive- and laser-heating in diamond anvil cells using visual observations or synchrotron x-ray diffraction, and theoretical methods. However, the melting curve of iron is still controversial, especially at very high pressures. Here we present a novel method of detecting the solid-liquid phase boundary of iron at high-pressure using 57Fe synchrotron Mössbauer spectroscopy (SMS). Focused synchrotron radiation with 1 meV bandwidth passes through a laser-heated sample inside a diamond anvil cell. The characteristic SMS time signature is observed by fast detectors and vanishes suddenly when melting occurs. This process is described by the Lamb-Mössbauer factor f = exp(-k2), where k is the wave number of the resonant x-rays and is the mean-square displacement of the iron atoms. We will discuss our melting results in comparison with previous data and also discuss future applications of this method to the study of melting of Earth materials under pressure. In addition to the detection of melt, the Lamb-Mössbauer factor is related to the phonon density of states (PDOS) of the material investigated. Results thus far indicate that the phonon density of states of fcc-structured iron softens with increasing temperature at high-pressure. We propose that the softening of the PDOS is related to a reduction of the shear modulus. This behavior that occurs at high-pressure near the melting point of iron should be considered when extrapolating the behavior of iron to the outermost inner core conditions.

  10. Critical magnetic transition in TbNi2Mn--magnetization and Mössbauer spectroscopy.

    PubMed

    Wang, J L; Campbell, S J; Kennedy, S J; Zeng, R; Dou, S X; Wu, G H

    2011-06-01

    The structural and magnetic properties of the TbNi(2)Mn(x) series (0.9 ≤ x ≤ 1.10) have been investigated using x-ray diffraction, field- and temperature-dependent AC magnetic susceptibility, DC magnetization (5-340 K; 0-5 T) and (57)Fe Mössbauer spectroscopy (5-300 K). TbNi(2)Mn(x) crystallizes in the MgCu(2)-type structure (space group Fd3m). The additional contributions to the magnetic energy terms from transition-metal-transition-metal interactions (T-T) and rare-earth-transition-metal interactions (R-T) in RNi(2)Mn compounds contribute to their increased magnetic ordering temperatures compared with RNi(2) and RMn(2). Both the lattice constant a and the Curie temperature T(C) exhibit maximal values at the x = 1 composition indicating strong magnetostructural coupling. Analyses of the AC magnetic susceptibility and DC magnetization data of TbNi(2)Mn around the Curie temperature T(C) = 147 K confirm that the magnetic transition is second order with critical exponents β = 0.77 ± 0.12, γ = 1.09 ± 0.07 and δ = 2.51 ± 0.06. These exponents establish that the magnetic interactions in TbNi(2)Mn are long range despite mixed occupancies of Tb and Mn atoms at the 8a site and vacancies. The magnetic entropy - ΔS(M) around T(C) is proportional to (μ(0)H/T(C))(2/3) in agreement with the critical magnetic analyses. The Mössbauer spectra above T(C) are fitted by two sub-spectra in agreement with refinement of the x-ray data while below T(C) three sub-spectra are required to represent the three inequivalent local magnetic environments. PMID:21555840

  11. Critical magnetic transition in TbNi2Mn—magnetization and Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Wang, J. L.; Campbell, S. J.; Kennedy, S. J.; Zeng, R.; Dou, S. X.; Wu, G. H.

    2011-06-01

    The structural and magnetic properties of the TbNi2Mnx series (0.9 <= x <= 1.10) have been investigated using x-ray diffraction, field- and temperature-dependent AC magnetic susceptibility, DC magnetization (5-340 K 0-5 T) and 57Fe Mössbauer spectroscopy (5-300 K). TbNi2Mnx crystallizes in the MgCu2-type structure (space group Fd\\bar {3}m ). The additional contributions to the magnetic energy terms from transition-metal-transition-metal interactions (T-T) and rare-earth-transition-metal interactions (R-T) in RNi2Mn compounds contribute to their increased magnetic ordering temperatures compared with RNi2 and RMn2. Both the lattice constant a and the Curie temperature TC exhibit maximal values at the x = 1 composition indicating strong magnetostructural coupling. Analyses of the AC magnetic susceptibility and DC magnetization data of TbNi2Mn around the Curie temperature TC = 147 K confirm that the magnetic transition is second order with critical exponents β = 0.77 ± 0.12, γ = 1.09 ± 0.07 and δ = 2.51 ± 0.06. These exponents establish that the magnetic interactions in TbNi2Mn are long range despite mixed occupancies of Tb and Mn atoms at the 8a site and vacancies. The magnetic entropy - ΔSM around TC is proportional to (μ0H/TC)2/3 in agreement with the critical magnetic analyses. The Mössbauer spectra above TC are fitted by two sub-spectra in agreement with refinement of the x-ray data while below TC three sub-spectra are required to represent the three inequivalent local magnetic environments.

  12. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-01-01

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

  14. Selective Dissolution Techniques, X-Ray Diffraction and Mössbauer Spectroscopy Studies of Forms of Fe in Particle-Size Fractions of an Entic Haplustoll

    NASA Astrophysics Data System (ADS)

    Acebal, S. G.; Aguirre, M. E.; Santamaría, R. M.; Mijovilovich, A.; Petrick, S.; Saragovi, C.

    2003-06-01

    Particle-size fractions (∅ = mean diameter, 5-2 μm, 2-1 μm, and <1 μm) from the Ap horizon of an Entic Haplustoll from Argentina were treated with the selective-dissolution techniques ammonium oxalate (OX), dithionite-citrate-bicarbonate (DCB), NaOH, and Na-pyrophosphate (PY), and studied by X-ray powder diffraction (XRD) and 57Fe Mössbauer spectroscopy (MS). Quartz, feldspar, smectite, illite and interstratified illite-smectite are the dominant minerals whereas Fe oxides and oxy-hydroxides are present in low concentration but increase as particle size decreases. Poorly crystallized oxides (highly Al-substituted hematite and goethite) amounts are lower, comparable to or slightly higher than the hematite amounts in the ∅ = 5-2 μm, 2-1 μm and <1 μm fractions respectively. This hematite is well crystallized but presents some degree of Al-substitution. Magnetite/maghemite was identified in the 2-1 μm fraction. Paramagnetic Fe3+ and Fe2+ are associated to the clay minerals and/or hydroxyl-interlayered 2:1 type material present; part of this Fe3+ is located in the hydroxy-interlayers its amount being higher in the smallest fraction. Any possible changes after the PY and NaOH treatments were not detected by MS.

  15. Insight into magnetic, ferroelectric and elastic properties of strained BiFeO3 thin films through Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    We have studied the magnetic order of highly strained (001)-oriented BiFeO3 (BFO) thin films using 57Fe 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 (TN), which itself shows only a weak strain dependence. An analysis of the line asymmetry of the paramagnetic doublet for temperatures above TN 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.

  16. Analysis of 6.4 KEV Moessbauer Spectra Obtained with MIMOS II on MER on Cobbles at Meridiani Planum, Mars and Considerations on Penetration Depths

    NASA Technical Reports Server (NTRS)

    Fleischer, I.; Klingelhoefer, G.; Morris, R. V.; Schroder, C.; Rodionov, D.; deSouza, P.

    2008-01-01

    The miniaturized Moessbauer (MB) spectrometers MIMOS II [1] on board of the two Mars Exploration Rovers Spirit and Opportunity have obtained more than 600 spectra of more than 300 different rock and soil targets [2-7]. Both instruments have simultaneously collected 6.4 keV X-ray and 14.4 keV .-ray spectra in backscattering geometry [1]. With Spirit's MB spectrometer, 6.4 keV and 14.4 keV spectra have been obtained for all targets through sol 461. After this date, only 14.4 keV spectra were collected. With Opportunity's spectrometer, 6.4 keV and 14.4 keV spectra have been collected for all targets to date. The Fe-mineralogy of rock and soil targets at both landing sites reported to date has been exclusively extracted from 14.4 keV spectra [2-5]. The comparison of 6.4 keV and 14.4 keV spectra provides depth selective information about a sample, but interpretation is not always straightforward [8].

  17. 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

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

    SciTech Connect

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

    2003-01-15

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

  19. Thermal decomposition of iron(VI) oxides, K{sub 2}FeO{sub 4} and BaFeO{sub 4}, in an inert atmosphere

    SciTech Connect

    Madarasz, Janos; Zboril, Radek; Homonnay, Zoltan . E-mail: vsharma@fit.edu; Pokol, Gyoergy

    2006-05-15

    The thermal decomposition of solid samples of iron(VI) oxides, K{sub 2}FeO{sub 4}.0.088 H{sub 2}O (1) and BaFeO{sub 4}.0.25H{sub 2}O (2) in inert atmosphere has been examined using simultaneous thermogravimetry and differential thermal analysis (TG/DTA), in combination with in situ analysis of the evolved gases by online coupled mass spectrometer (EGA-MS). The final decomposition products were characterized by {sup 57}Fe Moessbauer spectroscopy. Water molecules were released first, followed by a distinct decomposition step with endothermic DTA peak of 1 and 2 at 273 and 248 deg. C, respectively, corresponding to the evolution of molecular oxygen as confirmed by EGA-MS. The released amounts of O{sub 2} were determined as 0.42 and 0.52 mol pro formula of 1 and 2, respectively. The decomposition product of K{sub 2}FeO{sub 4} at 250 deg. C was determined as Fe(III) species in the form of KFeO{sub 2}. Formation of an amorphous mixture of superoxide, peroxide, and oxide of potassium may be other products of the thermal conversion of iron(VI) oxide 1 to account for less than expected released oxygen. The thermogravimetric and Moessbauer data suggest that barium iron perovskite with the intermediate valence state of iron (between III and IV) was the product of thermal decomposition of iron(VI) oxide 2.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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)

  6. 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.

  7. 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.

  8. Ultrasensitive Laser Spectroscopy.

    ERIC Educational Resources Information Center

    Kliger, David S.

    1985-01-01

    Examines techniques used to make ultrasensitive spectroscopic measurements. They include excitation, thermal lens, photo acoustic, and ionization spectroscopies. Guidelines and methods are provided for each technique; common uses and applications are explained. (DH)

  9. 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

  10. 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.

  11. Auger resonant Raman spectroscopy

    SciTech Connect

    Azuma, Y.; LeBrun, T.; MacDonald, M.; Southworth, S.H.

    1995-08-01

    As noted above, traditional spectroscopy of the electronic structure of the inner shells of atoms, molecules, and solids is limited by the lifetime broadening of the core-excited states. This limitation can also be avoided with the non-radiative analog of X-ray Raman scattering - resonant Auger Raman spectroscopy. We have used this technique to study the K-shell excitation spectrum of argon as the photon energy is continuously scanned across threshold.

  12. Hadron spectroscopy---Conclusions

    SciTech Connect

    Landua, R.

    1995-07-10

    The session on hadron spectroscopy covered a wide range of new results on the light and heavy meson spectrum. The discovery of three new scalar mesons at LEAR may be crucial for our understanding of the scalar nonet and the possible existence of exotic scalar states. An outlook on the prospects of hadron spectroscopy is given. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  13. 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.

  14. 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.

  15. X-ray diffraction and Mössbauer spectroscopy studies of LiFe 0.5Ti 1.5O 4 - A new primitive cubic ordered spinel

    NASA Astrophysics Data System (ADS)

    Avdeev, Georgi; Petrov, Kostadin; Mitov, Ivan

    2007-12-01

    LiFe 0.5Ti 1.5O 4 was synthesized by solid-state reaction carried out at 900 °C in flowing argon atmosphere, followed by rapid quenching of the reaction product to room temperature. The compound has been characterized by X-ray powder diffraction (XRD) and 57Fe Mössbauer effect spectroscopy (MES). It crystallizes in the space group P4 332, a = 8.4048(1) Å. Results from Rietveld structural refinement indicated 1:3 cation ordering on the octahedral sites: Li occupies the octahedral (4 b) sites, Ti occupies the octahedral (12 d) sites, while the tetrahedral (8 c) sites have mixed (Fe/Li) occupancy. A small, about 5%, inversion of Fe on the (4 b) sites has been detected. The MES data is consistent with cation distribution and oxidation state of Fe, determined from the structural data. The title compound is thermally unstable in air atmosphere. At 800 °C it transforms to a mixture of two Fe 3+ containing phases - a face centred cubic spinel Li (1+ y)/2 Fe (5-3 y)/2 Ti yO 4 and a Li ( z-1)/2 Fe (7-3 z)/2 Ti zO 5 - pseudobrookite. The major product of thermal treatment at 1000 °C is a ramsdellite type lithium titanium iron(III) oxide, accompanied by traces of rutile and pseudobrookite.

  16. 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.

  17. Dielectric spectroscopy in agrophysics

    NASA Astrophysics Data System (ADS)

    Skierucha, W.; Wilczek, A.; Szypłowska, A.

    2012-04-01

    The paper presents scientific foundation and some examples of agrophysical applications of dielectric spectroscopy techniques. The aim of agrophysics is to apply physical methods and techniques for studies of materials and processes which occur in agriculture. Dielectric spectroscopy, which describes the dielectric properties of a sample as a function of frequency, may be successfully used for examinations of properties of various materials. Possible test materials may include agrophysical objects such as soil, fruit, vegetables, intermediate and final products of the food industry, grain, oils, etc. Dielectric spectroscopy techniques enable non-destructive and non-invasive measurements of the agricultural materials, therefore providing tools for rapid evaluation of their water content and quality. There is a limited number of research in the field of dielectric spectroscopy of agricultural objects, which is caused by the relatively high cost of the respective measurement equipment. With the fast development of modern technology, especially in high frequency applications, dielectric spectroscopy has great potential of expansion in agrophysics, both in cognitive and utilitarian aspects.

  18. 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.

  19. 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.

  20. Gradient enhanced spectroscopy

    NASA Astrophysics Data System (ADS)

    van Zijl, Peter C.; Hurd, Ralph E.

    2011-12-01

    This paper provides a brief overview of the personal recollections of the authors regarding their contributions to the introduction of shielded gradient technology into NMR spectroscopy during the late 1980s and early 1990s. It provides some background into early probe design and details some of the early technical progress with the use of shielded magnetic field gradients for coherence selection in high resolution NMR and describes the developments at General Electric, the National Institutes of Health, Georgetown University and Johns Hopkins University School of Medicine that ultimately led to this technology becoming commonplace in modern NMR spectroscopy. Most of this early technical work was published in the Journal of Magnetic Resonance.

  1. 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.

  2. Magnetic circular dichroism spectroscopy.

    PubMed

    Hales, Brian J

    2011-01-01

    Being able to probe the structure and energy levels of metal ions in biological systems is an important goal of bioinorganic scientists. Several of the techniques used rely on the paramagnetic property of certain oxidation states of metal ions. MCD spectroscopy is one of those techniques and represents an effective way of obtaining structure/electronic information of paramagnetic metal ions. The basics of this technique are discussed along with examples of how MCD spectroscopy has been successfully used to elucidate the metal clusters of Nif proteins from nitrogen-fixing bacteria. PMID:21833870

  3. 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.

  4. 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.

  5. 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)

  6. Enantiodiscrimination by NMR spectroscopy.

    PubMed

    Uccello-Barretta, Gloria; Balzano, Federica; Salvadori, Piero

    2006-01-01

    The analysis of enantiorecognition processes involves the detection of enantiomeric species as well as the study of chiral discrimination mechanisms. In both fields Nuclear Magnetic Resonance (NMR) spectroscopy plays a fundamental role, providing several tools, based on the use of suitable chiral auxiliaries, for observing distinct signals of enantiomers and for investigating the complexation phenomena involved in enantiodiscrimination processes. PMID:17100610

  7. 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…

  8. Synthetic Coprecipitates of Exopolysaccharides and Ferrihydrite. Part I: Characterization

    SciTech Connect

    Mikutta,C.; Mikutta, R.; Bonneville, S.; Wagner, F.; Voegelin, A.; Christl, I.; Kretzschmar, R.

    2008-01-01

    Iron(III) (hydr)oxides formed at extracellular biosurfaces or in the presence of exopolymeric substances of microbes and plants may significantly differ in their structural and physical properties from their inorganic counterparts. We synthesized ferrihydrite (Fh) in solutions containing acid polysaccharides [polygalacturonic acid (PGA), alginate, xanthan] and compared its properties with that of an abiotic reference by means of X-ray diffraction, transmission electron microscopy, gas adsorption (N2, CO2), X-ray absorption spectroscopy, 57Fe Moessbauer spectroscopy, and electrophoretic mobility measurements. The coprecipitates formed contained up to 37 wt% polymer. Two-line Fh was the dominant mineral phase in all precipitates. The efficacy of polymers to precipitate Fh at neutral pH was higher for polymers with more carboxyl C (PGA {approx} alginate > xanthan). Pure Fh had a specific surface area of 300 m2/g; coprecipitation of Fh with polymers reduced the detectable mineral surface area by up to 87%. Likewise, mineral micro- (<2 nm) and mesoporosity (2-10 nm) decreased by up to 85% with respect to pure Fh, indicative of a strong aggregation of Fh particles by polymers in freeze-dried state. C-1s STXM images showed the embedding of Fh particles in polymer matrices on the micrometer scale. Iron EXAFS spectroscopy revealed no significant changes in the local coordination of Fe(III) between pure Fh and Fh contained in PGA coprecipitates. 57Fe Moessbauer spectra of coprecipitates confirmed Fh as dominant mineral phase with a slightly reduced particle size and crystallinity of coprecipitate-Fh compared to pure Fh and/or a limited magnetic super-exchange between Fh particles in the coprecipitates due to magnetic dilution by the polysaccharides. The pHiep of pure Fh in 0.01 M NaClO4 was 7.1. In contrast, coprecipitates of PGA and alginate had a pHiep < 2. Considering the differences in specific surface area, porosity, and net charge between the coprecipitates and pure Fh

  9. 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.

  10. 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

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

    DOE PAGESBeta

    Lauterbach, Lars; Wang, Hongxin; Horch, Marius; Gee, Leland B.; Yoda, Yoshitaka; Tanaka, Yoshihito; Zebger, Ingo; Lenz, Oliver; Cramer, Stephen P.

    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

  12. 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.

  13. 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.

  14. Raman spectroscopy of composites

    SciTech Connect

    Young, R.J.; Andrews, M.C.; Yang, X.; Huang, Y.L.; Gu, X.; Day, R.J.

    1994-12-31

    It is demonstrated that Raman Spectroscopy can be used to follow the micromechanics of the deformation of high-performance fibers within composites. The technique can be applied to a wide range of fiber systems including aramids, carbon and ceramic (using fluorescence spectroscopy) fibers. Well-defined Raman spectra are obtained and the position of the Raman bands shift on the application of stress or strain. It is possible to determine the point-to-point variation of strain along an individual fiber inside a transparent matrix under any general state of stress or strain. Examples are given of the use of the technique to study a variety of phenomena in a wide range of composite systems. The phenomena investigated include thermal stresses, fiber/matrix adhesion, matrix yielding for both fragmentation and pull-out tests. The systems studied include aramid/epoxy, carbon/epoxy and ceramic-fiber/glass composites.

  15. 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. PMID:16456933

  16. 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.

  17. 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.

  18. 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.

  19. Two dimensional NMR spectroscopy

    SciTech Connect

    Schram, J.; Bellama, J.M.

    1988-01-01

    Two dimensional NMR represents a significant achievement in the continuing effort to increase solution in NMR spectroscopy. This book explains the fundamentals of this new technique and its analytical applications. It presents the necessary information, in pictorial form, for reading the ''2D NMR,'' and enables the practicing chemist to solve problems and run experiments on a commercial spectrometer by using the software provided by the manufacturer.

  20. 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.

  1. New defect spectroscopies

    NASA Astrophysics Data System (ADS)

    Beling, C. D.

    2002-06-01

    This paper will review progress being made on developing more defect selective forms of positron annihilation spectroscopy (PAS) at the University of Hong Kong. The first of these, positron deep-level transient spectroscopy (PDLTS), parallels conventional deep-level transient spectroscopy (DLTS) except that the positron is used as the probe, either to tell if the defects have vacancies attached to their microstructure (type I PDLTS) or as a simple electric field probe (type II PDLTS). It is shown the more important type I PDLTS has an intrinsic problem brought about by the high donor densities required to operate electrical trap filling. The problem—namely fast positron drift out of the active deep-level region into the reverse biased junction—is suggested as having two solutions. The first is to move to higher positron beam intensities and take spectra of 10 9 events. The second is that by using lower dopant densities (<10 15 cm -3) deep levels may be filled by inter-band optical excitation thus forming the workable technique positron optical (PO)-DLTS. Other techniques briefly considered in this paper are deconvoluted-coincidence Doppler broadening spectroscopy (CDBS) and Fourier transform (FT)-CDBS. Such are seen from a different perspective than most contemporary works, which tend to concentrate on the high momentum region. It is pointed out that the additional root-of-two improvement in hardware resolution and the factor of three improvement gained through deconvolution, can produce final effective resolutions similar to ACAR. Moreover, since in deconvolution, the natural space for regularized solutions is "real crystal space"—it is suggested that the autocorrelation function B2 γ( r) be taken as the experimental CDBS data—not just because it provides easier visualization,—but because data in this form lies directly on the crystal lattice.

  2. 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.

  3. SME: Spectroscopy Made Easy

    NASA Astrophysics Data System (ADS)

    Valenti, J. A.; Piskunov, N.

    2012-02-01

    Spectroscopy Made Easy (SME) is IDL software and a compiled external library that fits an observed high-resolution stellar spectrum with a synthetic spectrum to determine stellar parameters. The SME external library is available for Mac, Linux, and Windows systems. Atomic and molecular line data formatted for SME may be obtained from VALD. SME can solve for empirical log(gf) and damping parameters, using an observed spectrum of a star (usually the Sun) as a constraint.

  4. $B$ 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.

  5. 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.

  6. 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.

  7. 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.

  8. High Resolution Laboratory Spectroscopy

    NASA Astrophysics Data System (ADS)

    Brünken, S.; Schlemmer, S.

    2016-05-01

    In this short review we will highlight some of the recent advancements in the field of high-resolution laboratory spectroscopy that meet the needs dictated by the advent of highly sensitive and broadband telescopes like ALMA and SOFIA. Among these is the development of broadband techniques for the study of complex organic molecules, like fast scanning conventional absorption spectroscopy based on multiplier chains, chirped pulse instrumentation, or the use of synchrotron facilities. Of similar importance is the extension of the accessible frequency range to THz frequencies, where many light hydrides have their ground state rotational transitions. Another key experimental challenge is the production of sufficiently high number densities of refractory and transient species in the laboratory, where discharges have proven to be efficient sources that can also be coupled to molecular jets. For ionic molecular species sensitive action spectroscopic schemes have recently been developed to overcome some of the limitations of conventional absorption spectroscopy. Throughout this review examples demonstrating the strong interplay between laboratory and observational studies will be given.

  9. 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.

  10. Active Beam Spectroscopy

    NASA Astrophysics Data System (ADS)

    von Hellermann, M. G.; Delabie, E.; Jaspers, R. J. E.; Biel, W.; Marchuk, O.; Summers, H. P.; Whiteford, A.; Giroud, C.; Hawkes, N. C.; Zastrow, K. D.

    2008-03-01

    Charge eXchange Recombination Spectroscopy (CXRS) plays a pivotal role in the diagnostics of hot fusion plasmas and is implemented currently in most of the operating devices. In the present report the main features of CXRS are summarized and supporting software packages encompassing "Spectral Analysis Code CXSFIT", "Charge Exchange Analysis Package CHEAP", and finally "Forward Prediction of Spectral Features" are described. Beam Emission Spectroscopy (BES) is proposed as indispensable cross-calibration tool for absolute local impurity density measurements and also for the continuous monitoring of the neutral beam power deposition profile. Finally, a full exploitation of the `Motional Stark Effect' pattern is proposed to deduce local pitch angles, total magnetic fields and possibly radial electric fields. For the proposed active beam spectroscopy diagnostic on ITER comprehensive performance studies have been carried out. Estimates of expected spectral signal-to-noise ratios are based on atomic modelling of neutral beam stopping and emissivities for CXRS, BES and background continuum radiation as well as extrapolations from present CXRS diagnostic systems on JET, Tore Supra, TEXTOR and ASDEX-UG. Supplementary to thermal features a further promising application of CXRS has been proposed recently for ITER, that is a study of slowing-down alpha particles in the energy range up to 2 MeV making use of the 100 keV/amu DNB (Diagnostic Neutral Beam) and the 500 keV/amu HNB (Heating Neutral Beam). Synthetic Fast Ion Slowing-Down spectra are evaluated in terms of source rates and slowing-down parameters

  11. Stellar dynamic spectroscopy

    NASA Astrophysics Data System (ADS)

    Bastian, T. S.; Dulk, G. A.; Bookbinder, J. A.

    The dynamic spectrum, a three dimensional record of the radio intensity as a function both of time and frequency, has long been used as a probe of plasma processes in the solar corona. Beginning with the work of Wild and McCready (1950) dynamic spectroscopy has been used to distinguish between the multitude of radio wave emitting phenomena which occur in the solar corona and to infer the physical mechanisms responsible. Stellar dynamic spectroscopy has always been a tantalizing prospect. The vast body of experience with solar dynamic spectroscopy would prove invaluable in interpreting stellar dynamic spectra. Further, the new parameter regimes presented by stellar coronas would allow further insight to be gained in the physical processes at work in stellar coronas. Recently, Bastian and Bookbinder (1987) used the Very Large Array The National Radio Astronomy Observatory is operated by Associated Universities, Inc. under contract with the National Science Foundation. in spectral line mode at 1.4 GHz with a bandwidth of 50 MHz to obtain the first dynamic spectra of nearby flare stars. The spectral resolution was 3.125 MHz and the temporal resolution was 5 s. While the relative bandwidth was less than ideal (δν/ν ˜ 5%), the spectra so obtained were sufficient to show the presence of narrowband structure in a radio outburst from the well-known dMe flare star UV Ceti. Several efforts are now underway to obtain stellar dynamic spectra, of both RS CVn binaries and dMe flare stars, with higher degrees of spectral and temporal resolution. Among these are use of a 1024 channel correlator with the 1000' telescope at Arecibo and use of the Berkeley Fast Pulsar Search Machine (Kulkarni et al. 1984) with the Green Bank 140' telescope.

  12. Renaissance in diatomic spectroscopy

    NASA Astrophysics Data System (ADS)

    Tiemann, Eberhard; Knöckel, Horst

    2013-07-01

    New technological developments resulted in several periods of renaissances of spectroscopy, the period on microwaves and later the period with lasers, and led to developments of new models for description of observations, thus to understanding the underlying physics. Today, the exciting period of cold molecules has started and demands for new data from molecular spectroscopy and completion in their modeling. This contribution will describe the status of understanding before the era of "cold molecules" and note open questions when entering the field of cold molecules. Because large varieties of cold molecules are studied, like deeply bound (about 1eV) or very weakly bound (less than 10-7 eV) ones, the spectroscopic tools and the theoretical descriptions have to be largely extended. We will describe recent success regarding different molecules of diatomic alkaliand alkaline-earth atoms as examples and will show how to use the often huge body of spectroscopic data for obtaining predictions for optimal paths to produce ultra cold molecules in a desired molecular state. It is very exciting to combine the results of spectroscopy and of studies of ultra cold ensembles which are influenced by their atom-to-molecule changeover. This allows already to complete the understanding of the electronic structure of atom pairs from infinite internuclear separation down to the range of strongly overlapping electronic distribution in some cases (e.g. KRb or KCs). However, enhanced effort is required for describing quantitatively the discoveries, already published or expected, like a contribution to the field hunting for signatures of time dependence of fundamental constants. For molecules with their rotational and vibrational motion the ratio of electron mass-to-nuclear mass as a fundamental constant shows up as an obvious attraction for spectroscopic studies.

  13. NEUROFEEDBACK USING FUNCTIONAL SPECTROSCOPY

    PubMed Central

    Hinds, Oliver; Wighton, Paul; Tisdall, M. Dylan; Hess, Aaron; Breiter, Hans; van der Kouwe, André

    2014-01-01

    Neurofeedback based on real-time measurement of the blood oxygenation level-dependent (BOLD) signal has potential for treatment of neurological disorders and behavioral enhancement. Commonly employed methods are based on functional magnetic resonance imaging (fMRI) sequences that sacrifice speed and accuracy for whole-brain coverage, which is unnecessary in most applications. We present multi-voxel functional spectroscopy (MVFS): a system for computing the BOLD signal from multiple volumes of interest (VOI) in real-time that improves speed and accuracy of neurofeedback. MVFS consists of a functional spectroscopy (FS) pulse sequence, a BOLD reconstruction component, a neural activation estimator, and a stimulus system. The FS pulse sequence is a single-voxel, magnetic resonance spectroscopy sequence without water suppression that has been extended to allow acquisition of a different VOI at each repetition and real-time subject head motion compensation. The BOLD reconstruction component determines the T2* decay rate, which is directly related to BOLD signal strength. The neural activation estimator discounts nuisance signals and scales the activation relative to the amount of ROI noise. Finally, the neurofeedback system presents neural activation-dependent stimuli to experimental subjects with an overall delay of less than 1s. Here we present the MVFS system, validation of certain components, examples of its usage in a practical application, and a direct comparison of FS and echo-planar imaging BOLD measurements. We conclude that in the context of realtime BOLD imaging, MVFS can provide superior accuracy and temporal resolution compared with standard fMRI methods. PMID:24999293

  14. Fiber enhanced Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Frosch, T.; Yan, D.; Hanf, S.; Popp, J.

    2014-05-01

    Fiber enhanced Raman sensing is presented for versatile and extremely sensitive analysis of pharmaceutical drugs and biogenic gases. Elaborated micro-structured optical fibers guide the light with very low losses within their hollow core and provide at the same time a miniaturized sample container for the analytes. Thus, fiber enhanced Raman spectroscopy (FERS) allows for chemically selective detection of minimal sample amounts with high sensitivity. Two examples are presented in this contribution: (i) the detection of picomolar concentrations of pharmaceutical drugs; and (ii) the analysis of biogenic gases within a complex mixture of gases with analytical sensitivities in the ppm range.

  15. 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. PMID:26849582

  16. Nanosecond fluorescence spectroscopy

    SciTech Connect

    Leskovar, B.

    1985-03-01

    This article is a summary of a short course lecture given in conjunction with the 1984 Nuclear Science Symposium. Measuring systems for nanosecond fluorescence spectroscopy using single-photon counting techniques are presented. These involve systems based on relaxation-type spark gap light pulser and synchronously pumped mode-locked dye lasers. Furthermore, typical characteristics and optimization of operating conditions of the critical components responsible for the system time resolution are discussed. A short comparison of the most important deconvolution methods for numerical analysis of experimental data is given particularly with respect to the signal-to-noise ratio of the fluorescence signal. 22 refs., 8 figs.

  17. Pressure effect on the electronic structure of iron in (Mg,Fe)(Al,Si)O3 perovskite: A combined synchrotron M?ssbauer and x-ray emission spectroscopy study up to 100 GPa

    SciTech Connect

    Li, J; Sturhahn, W; Jackson, J; Struzhkin, V V; Lin, J F; Zhao, J; Mao, H K; Shen, G

    2006-01-23

    We investigated the valence and spin state of iron in an Al-bearing ferromagnesian silicate perovskite sample, (Mg{sub 0.88}Fe{sub 0.09})(Si{sub 0.94}Al{sub 0.10})O{sub 3}, at 300 K and up to 100 GPa, using diamond-anvil cells and synchrotron Moessbauer spectroscopy techniques. Under elevated pressures, our Moessbauer time spectra are sufficiently fitted by a ''three-doublet'' model, which assumes two ferrous (Fe{sup 2+}) iron types and one ferric (Fe{sup 3+}) iron type with distinct hyperfine parameters. At pressures above 20 GPa, the fraction of the ferric iron, Fe{sup 3+}/{Sigma}Fe, is about 75% and remains unchanged to the highest pressure, indicating a fixed valence state of iron within this pressure range. Between 20 and 100 GPa, the quadruple splittings of all three iron types do not change with pressure, while the isomer shift between the Fe{sup 3+} types and the Fe{sup 2+} type increases continuously with increasing pressure. In conjunction with previous x-ray emission data on the same sample, the unchanging quadruple splittings and increasing isomer shift suggest that Fe{sup 2+} undergoes a broad spin crossover towards the low-spin state at 100 GPa, while Fe{sup 3+} remains in the high-spin state. The essentially constant quadruple splittings of Fe{sup 2+} can also be taken as an indication for strong resistance against further distortion of the local iron environment after initial compression.

  18. 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.

  19. 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.

  20. 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.

  1. Multiple quantum coherence spectroscopy.

    PubMed

    Mathew, Nathan A; Yurs, Lena A; Block, Stephen B; Pakoulev, Andrei V; Kornau, Kathryn M; Wright, John C

    2009-08-20

    Multiple quantum coherences provide a powerful approach for studies of complex systems because increasing the number of quantum states in a quantum mechanical superposition state increases the selectivity of a spectroscopic measurement. We show that frequency domain multiple quantum coherence multidimensional spectroscopy can create these superposition states using different frequency excitation pulses. The superposition state is created using two excitation frequencies to excite the symmetric and asymmetric stretch modes in a rhodium dicarbonyl chelate and the dynamic Stark effect to climb the vibrational ladders involving different overtone and combination band states. A monochromator resolves the free induction decay of different coherences comprising the superposition state. The three spectral dimensions provide the selectivity required to observe 19 different spectral features associated with fully coherent nonlinear processes involving up to 11 interactions with the excitation fields. The different features act as spectroscopic probes of the diagonal and off-diagonal parts of the molecular potential energy hypersurface. This approach can be considered as a coherent pump-probe spectroscopy where the pump is a series of excitation pulses that prepares a multiple quantum coherence and the probe is another series of pulses that creates the output coherence. PMID:19507812

  2. 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.

  3. 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.

  4. Transient infrared emission spectroscopy

    SciTech Connect

    Jones, R.W.; McClelland, J.F.

    1989-04-01

    Transient infrared emission spectroscopy (TIRES) is a new method that produces analytically useful emission spectra from optically thick, solid samples by greatly reducing self-absorption of emitted radiation. The method reduces self-absorption by creating a thin, short-lived, heated layer at the sample surface and collecting the transient emission from this layer. The technique requires no sample preparation and may be applied to both moving and stationary samples. The single-ended, noncontact TIRES measurement geometry is ideal for on-line and other remote-sensing applications. TIRES spectra acquired via a Fourier transform infrared spectrometer on moving samples of coal, plastic, and paint are presented and compared to photoacoustic absorption spectra of these materials. The TIRES and photoacoustic results are in close agreement as predicted by Kirchhoff's law.

  5. Dielectric relaxation time spectroscopy.

    PubMed

    Paulson, K S; Jouravleva, S; McLeod, C N

    2000-11-01

    A new mathematical method is developed to recover the permittivity relaxation spectrum of living tissue from measurements of the real and imaginary parts of the impedance. Aiming to derive information about electrical properties of living tissue without the prior selection of any impedance model, the procedure calculates the relaxation time distribution. It provides new characteristic independent parameters: time constants, their distribution, and the amplitudes of the associated dispersion. As the beta-dispersion is the most important in the area of electrical impedance spectroscopy of tissue, the paper gives an estimate of the essential frequency range to cover the whole relaxation spectrum in that area. Results are presented from both simulation and known lumped--constant element circuit. PMID:11077745

  6. 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.

  7. Femtosecond Stimulated Raman Spectroscopy.

    PubMed

    Dietze, Daniel R; Mathies, Richard A

    2016-05-01

    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. PMID:26919612

  8. Quantitative velocity modulation spectroscopy.

    PubMed

    Hodges, James N; McCall, Benjamin J

    2016-05-14

    Velocity Modulation Spectroscopy (VMS) is arguably the most important development in the 20th century for spectroscopic study of molecular ions. For decades, interpretation of VMS lineshapes has presented challenges due to the intrinsic covariance of fit parameters including velocity modulation amplitude, linewidth, and intensity. This limitation has stifled the growth of this technique into the quantitative realm. In this work, we show that subtle changes in the lineshape can be used to help address this complexity. This allows for determination of the linewidth, intensity relative to other transitions, velocity modulation amplitude, and electric field strength in the positive column of a glow discharge. Additionally, we explain the large homogeneous component of the linewidth that has been previously described. Using this component, the ion mobility can be determined. PMID:27179476

  9. Terahertz Spectroscopy of Polymers

    NASA Astrophysics Data System (ADS)

    Jansen, Christian; Wietzke, Steffen; Koch, Martin

    Polymers and terahertz (THz) waves form a fruitful symbiosis: on the one hand, non-polar plastics serve as base materials for THz optics as they exhibit low absorption and excellent machinability. On the other hand, THz time-domain spectroscopy (TDS) grants access to unique information about the molecular structure and morphology of polymers, offering an immense portfolio of interesting scientific opportunities. Furthermore, contact-free, non-destructive testing with non-ionizing THz radiation could evolve as a valuable addition to or substitution of ultrasonic and X-ray characterization, especially in quality inspection and process control applications. This chapter aims to give an overview of recent activities in this field, covering both the spectroscopic analysis of polymers with THz waves as well as the non-destructive testing of plastic components with THz systems.

  10. Meson Spectroscopy at Clas

    NASA Astrophysics Data System (ADS)

    Battaglieri, Marco

    The CLAS Collaboration is operating the CLAS detector at theThomas Jefferson National Laboratory (JLab) in USA. The unique combination of the detector large acceptance and high intensity of the continuous electron beam of CEBAF has opened the way to a comprehensive study of the hadrons structure in a kinematic domain between nuclear and particle physics. Meson spectroscopy plays a central role in the physics program of the Collaboration. Many exclusive channels have been studied with virtual and real photon beams in a wide kinematic domain providing key information about the hadron structure as well as the reactions dynamic. In this contribution, the rich physics program covered by present and future experiments will be reviewed.

  11. Near Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Jha, Shyam N.

    The discovery of near-infrared energy is ascribed to Herschel in the nineteenth century; the first industrial application however began in the 1950s. Initially near infrared spectroscopy (NIRS) was used only as an add-on unit to other optical devices, that used other wavelengths such as ultraviolet (UV), visible (Vis), or mid-infrared (MIR) spectrometers. In the 1980s, a single unit, stand-alone NIRS system was made available, but the application of NIRS was focused more on chemical analysis. With the introduction of light-fibre optics in the mid 1980s and the monochromator-detector developments in early 1990s, NIRS became a more powerful tool for scientific research. This optical method can be used in a number of fields of science including physics, physiology, medicine and food.

  12. Quantitative velocity modulation spectroscopy

    NASA Astrophysics Data System (ADS)

    Hodges, James N.; McCall, Benjamin J.

    2016-05-01

    Velocity Modulation Spectroscopy (VMS) is arguably the most important development in the 20th century for spectroscopic study of molecular ions. For decades, interpretation of VMS lineshapes has presented challenges due to the intrinsic covariance of fit parameters including velocity modulation amplitude, linewidth, and intensity. This limitation has stifled the growth of this technique into the quantitative realm. In this work, we show that subtle changes in the lineshape can be used to help address this complexity. This allows for determination of the linewidth, intensity relative to other transitions, velocity modulation amplitude, and electric field strength in the positive column of a glow discharge. Additionally, we explain the large homogeneous component of the linewidth that has been previously described. Using this component, the ion mobility can be determined.

  13. 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.

  14. Laser ionization mass spectroscopy

    NASA Astrophysics Data System (ADS)

    Bernardez, Luis J., III; Siekhaus, W. J.

    1989-10-01

    Laser Ionization Mass Spectroscopy (LIMS) is a simple technique with several advantages and disadvantages over standard mass spectroscopy techniques. The LIMS technique uses a laser to vaporize a small portion of a sample. The vapor from the sample consists of a mixture of charged and neutral atoms or fragments. Using electrostatic grids, the ions (positive or negative) are given a known amount of kinetic energy and sent down a time-of-flight tube. The time it takes the ions to travel down the flight tube is recorded. Knowing the ions' energy, the length of the flight tube, and the time it takes the ions to travel that distance, the masses of the ions can be calculated. The instrument used is a LIMA 3 made by Cambridge Mass Spectrometry. It has a Quanta Ray DCR-11 Nd:YAG laser, which was frequency-quadrupled to 266 nm. The laser spot size is typically between 2 and 5 microns in diameter and the pulse width is between 5 and 10 nanoseconds. The energy of the laser is continually variable between 0.1 and 3.0 millijoules. The detector is a 17-stage venetian-blind multiplier made by Thorn EMI. The analysis is carried out under vacuum, usually between 10(exp -8) and 10(exp -9) Torr. The LIMA 3 has several useful features such as: a He-Ne pilot laser used to target the Nd:YAG laser; a microscope (which is used to view the sample through the laser optics); and a precision sample stage for accurate sample alignment.

  15. 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.

  16. Optical frequency comb spectroscopy.

    PubMed

    Foltynowicz, A; Masłowski, P; Ban, T; Adler, F; Cossel, K C; Briles, T C; Ye, J

    2011-01-01

    Optical frequency combs offer enormous potential in the detection and control of atoms and molecules by combining their vast spectral coverage with the extremely high spectral resolution of each individual comb component. Sensitive and multiplexed trace gas detection via cavity-enhanced direct frequency comb spectroscopy has been demonstrated for various molecules and applications; however, previous demonstrations have been confined to the visible and near-infrared wavelength range. Future spectroscopic capabilities are created by developing comb sources and spectrometers for the deep ultraviolet and mid-infrared spectral regions. Here we present a broadband high resolution mid-infrared frequency comb-based Fourier transform spectrometer operating in the important molecular fingerprint spectral region of 2100-3600 cm(-1) (2.8-4.8 microm). The spectrometer, employing a multipass cell, allows simultaneous acquisition of broadband, high resolution spectra (down to 0.0035 cm(-1) of many molecular species at concentrations in the part-per-billion range in less than 1 min acquisition time. The system enables precise measurements of concentration even in gas mixtures that exhibit continuous absorption bands. The current sensitivity, 2 x 10(-8) cm(-1) Hz-1/2 per spectral element, is expected to improve by two orders of magnitude with an external enhancement cavity. We have demonstrated this sensitivity increase by combining cavity-enhanced frequency comb spectroscopy with a scanning Fourier transform spectrometer in the near-infrared region and achieving a sensitivity of 4.7 x 10(-10) cm(-1) Hz(-1/2). A cavity-enhanced mid-infrared comb spectrometer will provide a near real-time, high sensitivity, high resolution, precisely frequency calibrated, broad bandwidth system for many applications. PMID:22457942

  17. Laser ionization mass spectroscopy

    SciTech Connect

    Bernardez, L.J. III; Siekhaus, W.J. )

    1989-10-01

    Laser Ionization Mass Spectroscopy (LIMS) is a simple technique with several advantages and disadvantages over standard mass spectroscopy techniques. The LIMS technique uses a laser to vaporize a small portion of a sample. The vapor from the sample consists of a mixture of charged and neutral atoms or fragments. Using electrostatic grids, the ions (positive or negative) are given a known amount of kinetic energy and sent down a time-of-flight tube. The time it takes the ions to travel down the flight tube is recorded. Knowing the ions' energy, the length of the flight tube, and the time it takes the ions to travel that distance, the masses of the ions can be calculated. The instrument we use is a LIMA 3 made by Cambridge Mass Spectrometry. It has a Quanta Ray DCR-11 Nd:YAG laser, which we frequency-quadruple to 266 nm. The laser spot size is typically between 2 and 5 microns in diameter and the pulse width is between 5 and 10 nanoseconds. The energy of the laser is continually variable between 0.1 and 3.0 millijoules. The detector is a 17-stage venetian-blind multiplier made by Thorn EMI. The analysis is carried out under vacuum, usually between 10{sup {minus}8} and 10{sup {minus}9} Torr. The LIMA 3 has several useful features such as: a He-Ne pilot laser used to target the Nd:YAG laser; a microscope (which is used to view the sample through the laser optics); and a precision sample stage for accurate sample alignment. 6 figs., 1 tab.

  18. Hadron Spectroscopy at Jefferson Laboratory

    SciTech Connect

    Dennis P. Weygand

    2004-08-01

    Recent results on hadron spectroscopy from Jefferson Laboratory's CEBAF Large Acceptance Spectrometer (CLAS) are presented. In particular we present results from the baryon resonance program for both electro- and photo- production. Also, we present very preliminary results on meson spectroscopy in p interactions, and new results on the observation of the exotic baryon, the Theta +.

  19. Scanning Probe Microscopy and Spectroscopy

    NASA Astrophysics Data System (ADS)

    Wiesendanger, Roland

    1994-09-01

    Preface; List of acronyms; Introduction; Part I. Experimental Methods and Theoretical Background of Scanning Probe Microscopy and Spectroscopy: 1. Scanning tunnelling microscopy; 2. Scanning force microscopy; 3. Related scanning probe techniques; Part II. Applications of Scanning Probe Microscopy and Spectroscopy: 4. Condensed matter physics; 5. Chemistry; 6. Organic materials; 7. Metrology and standards; 8. Nanotechnology; References; Index.

  20. 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.

  1. 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…

  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 electromagnetic…

  3. 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.

  4. 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

  5. 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.

  6. 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.)

  7. 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. )

  8. 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.

  9. 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.

  10. Variable angle correlation spectroscopy

    SciTech Connect

    Lee, Y K

    1994-05-01

    In this dissertation, a novel nuclear magnetic resonance (NMR) technique, variable angle correlation spectroscopy (VACSY) is described and demonstrated with {sup 13}C 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.

  11. Crystal and molecular structure and Raman and sup 127 I Moessbauer spectra of iodine(III) bis(fluorosulfate) iodide, I(OSO sub 2 F) sub 2 I

    SciTech Connect

    Birchall, T.; Denes, G.; Faggiani, R.; Frampton, C.S.; Gillespie, R.J.; Kapoor, R.; Vekris, J.E. )

    1990-04-18

    Iodine is oxidized by peroxodisulfuryl difluoride, S{sub 2}O{sub 6}F{sub 2}, to give I(OSO{sub 2}F){sub 2}I. The crystal structure of the orthorhombic type crystal is reported. The structure was solved by means of Patterson functions and refined by least squares to final agreement indices of R{sub 1} = 0.0353 and R{sub 2} = 0.0374 for 1,600 independent reflections. There are three primary bonds to the central iodine, I(1), (I(1)-OSO{sub 2}F = 2.086 (7) and 2.258 (7) {angstrom}; I(1)-I(2) = 2.676 (1) {angstrom}), which create a distorted T=shaped AX{sub 3}E{sub 2} geometry. The second iodine, I(2), has a primary bond to I(1) and a strong intermolecular secondary I(2)-O bond of length 2.655 (8) {angstrom} to one of the fluorosulfate groups that is colinear with the primary bond, giving an AXYE{sub 3} geometry about I(2). The Raman spectrum of the solid and the {sup 127}I Moessbauer spectrum are in full agreement with the structure found. 30 refs., 3 figs., 4 tabs.

  12. Nuclear dynamical diffraction using synchrotron radiation

    SciTech Connect

    Brown, D.E.

    1993-05-01

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

  13. 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.

  14. PAH FIR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Mattioda, Andrew; Ricca, A.; Tucker, J.; Bauschlicher, C., Jr.; Allamandola, L.

    2009-01-01

    The mid-IR spectra of a majority of astronomical sources are dominated by emission features near 3.3, 6.2, 7.7, and 11.2 µm. These features, formerly referred to as the Unidentified Infrared (UIR) Bands, are now generally thought to originate in free polycyclic aromatic hydrocarbon (PAH) molecules and closely related species. In addition to dominating the 3-20 µm region of the spectrum, they carry some 20-40% of the total IR luminosity from most of these objects. PAHs dominate the mid-IR emission from many galactic and extragalactic objects. As such, this material tracks a wide variety of astronomical processes, making this spectrum a powerful probe of the cosmos Apart from bands in the mid-IR, PAHs have bands spanning the Far-IR (20 to 1000 mm) and these FIR features should be present in astronomical sources. However, with one exception, the FIR spectral characteristics are known only for a few neutral small PAHs trapped in salt pellets or oils at room temperature, data which is not relevant to astrophysics. Furthermore, since most emitting PAHs responsible for the mid-IR astronomical features are ionized, the absence of any experimental or theoretical PAH ion FIR spectra will make it impossible to correctly interpret the FIR data from these objects. In view of the upcoming Herschel space telescope mission and SOFIA's FIR airborne instrumentation, which will pioneer the FIR region, it is now urgent to obtain PAH FIR spectra. This talk will present an overview of the FIR spectroscopy of PAHs.

  15. 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

  16. FTIR spectroscopy of borate crystals

    NASA Astrophysics Data System (ADS)

    Kovacs, Laszlo; Beregi, E.; Polgar, K.; Peter, A.

    1999-03-01

    Infrared absorption spectroscopy has been used to study the vibrational modes in various borate crystals, the electronic transitions of Nd3+ ions in NYAB, and the stretching vibration of hydroxyl ions in CLBO crystals.

  17. 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).

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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}.

  3. Airborne Submillimeter Spectroscopy

    NASA Technical Reports Server (NTRS)

    Zmuidzinas, J.

    1998-01-01

    This is the final technical report for NASA-Ames grant NAG2-1068 to Caltech, entitled "Airborne Submillimeter Spectroscopy", which extended over the period May 1, 1996 through January 31, 1998. The grant was funded by the NASA airborne astronomy program, during a period of time after the Kuiper Airborne Observatory was no longer operational. Instead. this funding program was intended to help develop instrument concepts and technology for the upcoming SOFIA (Stratospheric Observatory for Infrared Astronomy) project. SOFIA, which is funded by NASA and is now being carried out by a consortium lead by USRA (Universities Space Research Association), will be a 747 aircraft carrying a 2.5 meter diameter telescope. The purpose of our grant was to fund the ongoing development of sensitive heterodyne receivers for the submillimeter band (500-1200 GHz), using sensitive superconducting (SIS) detectors. In 1997 July we submitted a proposal to USRA to construct a heterodyne instrument for SOFIA. Our proposal was successful [1], and we are now continuing our airborne astronomy effort with funding from USRA. A secondary purpose of the NAG2-1068 grant was to continue the anaIN'sis of astronomical data collected with an earlier instrument which was flown on the NASA Kuiper Airborne Observatory (KAO). The KAO instrument and the astronomical studies which were carried out with it were supported primarily under another grant, NAG2-744, which extended over October 1, 1991 through Januarv 31, 1997. For a complete description of the astronomical data and its anailysis, we refer the reader to the final technical report for NAG2-744, which was submitted to NASA on December 1. 1997. Here we report on the SIS detector development effort for SOFIA carried out under NAG2-1068. The main result of this effort has been the demonstration of SIS mixers using a new superconducting material niobium titanium nitride (NbTiN), which promises to deliver dramatic improvements in sensitivity in the 700

  4. Techniques for inelastic X-ray spectroscopy with μeV - resolution

    NASA Astrophysics Data System (ADS)

    Röhlsberger, R.; Alp, E. E.; Gerdau, E.; Leupold, O.; Quast, K. W.; Rüffer, R.; Sturhahn, W.; Toellner, T. S.; Burkel, E.

    1999-03-01

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

  5. TIME-RESOLVED VIBRATIONAL SPECTROSCOPY

    SciTech Connect

    Andrei Tokmakoff, MIT; Paul Champion, Northeastern University; Edwin J. Heilweil, NIST; Keith A. Nelson, MIT; Larry Ziegler, Boston University

    2009-05-14

    This document contains the Proceedings from the 14th International Conference on Time-Resolved Vibrational Spectroscopy, which was held in Meredith, NH from May 9-14, 2009. The study of molecular dynamics in chemical reaction and biological processes using time-resolved spectroscopy plays an important role in our understanding of energy conversion, storage, and utilization problems. Fundamental studies of chemical reactivity, molecular rearrangements, and charge transport are broadly supported by the DOE’s Office of Science because of their role in the development of alternative energy sources, the understanding of biological energy conversion processes, the efficient utilization of existing energy resources, and the mitigation of reactive intermediates in radiation chemistry. In addition, time-resolved spectroscopy is central to all five of DOE’s grand challenges for fundamental energy science. The Time-Resolved Vibrational Spectroscopy conference is organized biennially to bring the leaders in this field from around the globe together with young scientists to discuss the most recent scientific and technological advances. The latest technology in ultrafast infrared, Raman, and terahertz spectroscopy and the scientific advances that these methods enable were covered. Particular emphasis was placed on new experimental methods used to probe molecular dynamics in liquids, solids, interfaces, nanostructured materials, and biomolecules.

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

    NASA Technical Reports Server (NTRS)

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

    2006-01-01

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

  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. 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.

  9. Delaminations Investigated With Ultrasonic Spectroscopy

    NASA Technical Reports Server (NTRS)

    Cosgriff, Laura M.

    2003-01-01

    A previous study suggested that the ultrasonic spectroscopy technique identified possible disbonds or delaminations in polymer matrix composite (PMC) rings sectioned from flywheel rotors (ref. 1). These results went unsubstantiated by other nondestructive evaluation (NDE) methods. To explain the results, PMC rings were further investigated with ultrasonic spectroscopy (ref. 2). The ultrasonic spectroscopy system utilizes a continuous-swept sine waveform as the input. After the swept sine wave traverses the material, the captured waveform is subjected to two fast Fourier transforms. The second fast Fourier transform along with equalization of the frequency spectrum, allows for evaluation of the fundamental resonant frequency. The full-thickness resonance, the resonance corresponding to the location of the intentional disbond, and the frequency spectrum were examined in an effort to characterize the sensitivity of the NDE method to various delamination conditions.

  10. Ultrafast infrared spectroscopy in photosynthesis.

    PubMed

    Di Donato, Mariangela; Groot, Marie Louise

    2015-01-01

    In recent years visible pump/mid-infrared (IR) probe spectroscopy has established itself as a key technology to unravel structure-function relationships underlying the photo-dynamics of complex molecular systems. In this contribution we review the most important applications of mid-infrared absorption difference spectroscopy with sub-picosecond time-resolution to photosynthetic complexes. Considering several examples, such as energy transfer in photosynthetic antennas and electron transfer in reaction centers and even more intact structures, we show that the acquisition of ultrafast time resolved mid-IR spectra has led to new insights into the photo-dynamics of the considered systems and allows establishing a direct link between dynamics and structure, further strengthened by the possibility of investigating the protein response signal to the energy or electron transfer processes. This article is part of a Special Issue entitled: Vibrational spectroscopies and bioenergetic systems. PMID:24973600

  11. Force Spectroscopy in Studying Infection.

    PubMed

    Zhou, Zhaokun; Leake, Mark C

    2016-01-01

    Biophysical force spectroscopy tools-for example, optical tweezers, magnetic tweezers, atomic force microscopy-have been used to study elastic, mechanical, conformational and dynamic properties of single biological specimens from single proteins to whole cells to reveal information not accessible by ensemble average methods such as X-ray crystallography, mass spectroscopy, gel electrophoresis and so on. Here, we review the application of these tools on a range of infection-related questions from antibody-inhibited protein processivity to virus-cell adhesion. In each case, we focus on how the instrumental design tailored to the biological system in question translates into the functionality suitable for that particular study. The unique insights that force spectroscopy has gained to complement knowledge learned through population averaging techniques in interrogating biomolecular details prove to be instrumental in therapeutic innovations such as those in structure-based drug design. PMID:27193551

  12. Photoacoustic spectroscopy of condensed matter

    NASA Technical Reports Server (NTRS)

    Somoano, R. B.

    1978-01-01

    Photoacoustic spectroscopy is a new analytical tool that provides a simple nondestructive technique for obtaining information about the electronic absorption spectrum of samples such as powders, semisolids, gels, and liquids. It can also be applied to samples which cannot be examined by conventional optical methods. Numerous applications of this technique in the field of inorganic and organic semiconductors, biology, and catalysis have been described. Among the advantages of photoacoustic spectroscopy, the signal is almost insensitive to light scattering by the sample and information can be obtained about nonradiative deactivation processes. Signal saturation, which can modify the intensity of individual absorption bands in special cases, is a drawback of the method.

  13. X-ray Absorption Spectroscopy

    SciTech Connect

    Yano, Junko; Yachandra, Vittal K.

    2009-07-09

    This review gives a brief description of the theory and application of X-ray absorption spectroscopy, both X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS), especially, pertaining to photosynthesis. The advantages and limitations of the methods are discussed. Recent advances in extended EXAFS and polarized EXAFS using oriented membranes and single crystals are explained. Developments in theory in understanding the XANES spectra are described. The application of X-ray absorption spectroscopy to the study of the Mn4Ca cluster in Photosystem II is presented.

  14. Raman Spectroscopy of Microbial Pigments

    PubMed Central

    Edwards, Howell G. M.; Oren, Aharon

    2014-01-01

    Raman spectroscopy is a rapid nondestructive technique providing spectroscopic and structural information on both organic and inorganic molecular compounds. Extensive applications for the method in the characterization of pigments have been found. Due to the high sensitivity of Raman spectroscopy for the detection of chlorophylls, carotenoids, scytonemin, and a range of other pigments found in the microbial world, it is an excellent technique to monitor the presence of such pigments, both in pure cultures and in environmental samples. Miniaturized portable handheld instruments are available; these instruments can be used to detect pigments in microbiological samples of different types and origins under field conditions. PMID:24682303

  15. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    SciTech Connect

    Weaver, A.

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO{sub 2} and NO{sub 3}) and unstable neutral species ((IHI) and (FH{sub 2})). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  16. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    SciTech Connect

    Weaver, A.

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO{sub 2} and NO{sub 3}) and unstable neutral species ([IHI] and [FH{sub 2}]). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  17. Spectroscopy on the Overhead Projector.

    ERIC Educational Resources Information Center

    Solomon, Sally; And Others

    1994-01-01

    Any overhead projector easily can be converted into a simple spectrometer by placing a piece of diffraction grating over the projecting lens. A detailed description of the apparatus and suggested spectroscopy experiments are included. Demonstrations can utilize solutions of cobalt chloride, potassium permanganate, potassium dichromate, or…

  18. Fourier spectroscopy and planetary research

    NASA Technical Reports Server (NTRS)

    Hanel, R. A.; Kunde, V. G.

    1974-01-01

    The application of Fourier Transform Spectroscopy (FTS) to planetary research is reviewed. The survey includes FTS observations of the sun, all the planets except Uranus and Pluto, the Galilean satellites and Saturn's rings. Instrumentation and scientific results are considered and the prospects and limitations of FTS for planetary research in the forthcoming years are discussed.

  19. New Bottomonium Spectroscopy And Transitions

    SciTech Connect

    West, Chris; /SLAC

    2011-12-01

    Recent results in bottomonium spectroscopy are reviewed. Topics include the observation of {Upsilon}(nS) {yields} {eta}{Upsilon}(1S) transitions, energy scans above the {Upsilon}(4S) resonance by the BABAR and Belle experiments, and the recent observation of the {eta}{sub b} by the BABAR experiment.

  20. Polarization spectroscopy of tokamak plasmas

    SciTech Connect

    Wroblewski, D.

    1991-09-01

    Measurements of polarization of spectral lines emitted by tokamak plasmas provide information about the plasma internal magnetic field and the current density profile. The methods of polarization spectroscopy, as applied to the tokamak diagnostic, are reviewed with emphasis on the polarimetry of motional Stark effect in hydrogenic neutral beam emissions. 25 refs., 7 figs.

  1. Hollow waveguide cavity ringdown spectroscopy

    NASA Technical Reports Server (NTRS)

    Dreyer, Chris (Inventor); Mungas, Greg S. (Inventor)

    2012-01-01

    Laser light is confined in a hollow waveguide between two highly reflective mirrors. This waveguide cavity is used to conduct Cavity Ringdown Absorption Spectroscopy of loss mechanisms in the cavity including absorption or scattering by gases, liquid, solids, and/or optical elements.

  2. High-spin nuclear spectroscopy

    SciTech Connect

    Diamond, R.M.

    1986-07-01

    High-spin spectroscopy is the study of the changes in nuclear structure, properties, and behavior with increasing angular momentum. It involves the complex interplay between collective and single-particle motion, between shape and deformation changes, particle alignments, and changes in the pairing correlations. A review of progress in theory, experimentation, and instrumentation in this field is given. (DWL)

  3. NIR SPECTROSCOPY OF MICROWAVEABLE MEALS

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The potential of near infrared (NIR) spectroscopy for the prediction of total dietary fiber (TDF) in mixed meals was investigated. Meals were prepared for spectral analysis by homogenization only (HO), homogenization and drying (HD), and homogenization, drying and de-fatting (HDF). The NIR spectra ...

  4. Cavity-Enhanced Ultrafast Spectroscopy

    NASA Astrophysics Data System (ADS)

    Allison, Thomas

    2016-05-01

    Ultrafast optical spectroscopy methods, such as transient absorption spectroscopy and 2D-spectroscopy, are widely used across many disciplines. However, these techniques are typically restricted to optically thick samples, such as solids and liquid solutions. Using a frequency comb laser and optical cavities, we present a new technique for performing ultrafast optical spectroscopy with high sensitivity, enabling work in dilute gas-phase molecular beams. Resonantly enhancing the probe pulses, we demonstrate transient absorption measurements with a detection limit of ΔOD = 2 ×10-10 (1 ×10-9 /√{Hz}). Resonantly enhancing the pump pulses allows us to produce a high excitation fraction at high repetition-rate, so that signals can be recorded from samples with optical densities as low as OD 10-8 , or column densities < 1010 molecules/ cm2. To our knowledge, this represents a 5,000-fold improvement of the state-of-the-art. This work was supported by the National Science Foundation under Grant Number 1404296.

  5. A Quantitative Infrared Spectroscopy Experiment.

    ERIC Educational Resources Information Center

    Krahling, Mark D.; Eliason, Robert

    1985-01-01

    Although infrared spectroscopy is used primarily for qualitative identifications, it is possible to use it as a quantitative tool as well. The use of a standard curve to determine percent methanol in a 2,2,2-trifluoroethanol sample is described. Background information, experimental procedures, and results obtained are provided. (JN)

  6. Infrared Spectroscopy of Deuterated Compounds.

    ERIC Educational Resources Information Center

    MacCarthy, Patrick

    1985-01-01

    Background information, procedures used, and typical results obtained are provided for an experiment (based on the potassium bromide pressed-pellet method) involving the infrared spectroscopy of deuterated compounds. Deuteration refers to deuterium-hydrogen exchange at active hydrogen sites in the molecule. (JN)

  7. Noise Spectroscopy Used in Biology

    NASA Astrophysics Data System (ADS)

    Žacik, Michal

    This thesis contains glossary topic of spectroscopic measurement methods in broad bands of frequency. There is designed experimental measurement method for simple samples and biological samples measurements for noise spectroscopy in frequency range of 0.1 - 6 GHz, using broadband noise generator. There is realized the workplace and the measurement method is verified by measuring on selected samples. Measurements a displayed and analyzed.

  8. HIV detection by optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Joshi, Narahari V.; Doria, M.; Medina, Honorio

    2001-10-01

    Reliable and economical Human Immnodeficiency Virus (HIV) testing was achieved by optical absorption spectroscopy of the core of the hair in the range of 400 nm to 800 nm. In HIV+ patients, extra optical active material is deposited in the core and optical absorption spectra, recorded in polarized radiation reveal special features, which can be used for guidance, detection, monitoring and control.

  9. Surface-Enhanced Raman Spectroscopy.

    ERIC Educational Resources Information Center

    Garrell, Robin L.

    1989-01-01

    Reviews the basis for the technique and its experimental requirements. Describes a few examples of the analytical problems to which surface-enhanced Raman spectroscopy (SERS) has been and can be applied. Provides a perspective on the current limitations and frontiers in developing SERS as an analytical technique. (MVL)

  10. Current Trends in Atomic Spectroscopy.

    ERIC Educational Resources Information Center

    Wynne, James J.

    1983-01-01

    Atomic spectroscopy is the study of atoms/ions through their interaction with electromagnetic radiation, in particular, interactions in which radiation is absorbed or emitted with an internal rearrangement of the atom's electrons. Discusses nature of this field, its status and future, and how it is applied to other areas of physics. (JN)

  11. Autler-Townes multiplet spectroscopy

    NASA Astrophysics Data System (ADS)

    Ghafoor, F.

    2014-03-01

    The Autler-Townes doublet and triplet spectroscopy are well known in the literature. Here, atomic systems for quartuplet, quintuplet emission spectroscopy and their linkages with the sodium atom are investigated for display of the corresponding spectra. We explore the involved fundamental processes of quantum interference in these systems by examining the Laplace transform of the corresponding state-vector subjected to steady coherent illumination in the rotating wave approximation and Weisskopf-Wigner treatment of spontaneous emission as a simplest probability loss. In the quartuplet (quintuplet), four (five) fields interact appropriately and resonantly with the five-level (six-level) atom. The spectral profile of the single decaying level, upon interaction with three (four) other levels, splits into four (five) destructively interfering dressed states generating three (four) dark lines in the spectrum. These dark lines divide the spectrum into four (five) spectral components (bright lines) whose widths are effectively controlled by the relative strength of the laser fields and the relative width of a single decaying level. The idea is also extended to higher-ordered spectroscopy. The apparent disadvantage of these schemes is the successive increase in the number of laser fields required for the strongly interactive atomic states. However, these complexities are naturally inherited and are the beauty of these atomic systems. They provide the foundations for the basic mechanisms of the quantum interference involved in the higher-ordered multiplet spectroscopy.

  12. OH absorption spectroscopy in a flame using spatial heterodyne spectroscopy.

    PubMed

    Bartula, Renata J; Ghandhi, Jaal B; Sanders, Scott T; Mierkiewicz, Edwin J; Roesler, Fred L; Harlander, John M

    2007-12-20

    We demonstrate measurements of OH absorption spectra in the post-flame zone of a McKenna burner using spatial heterodyne spectroscopy (SHS). SHS permits high-resolution, high-throughput measurements. In this case the spectra span approximately 308-310 nm with a resolution of 0.03 nm, even though an extended source (extent of approximately 2x10(-7) m(2) rad(2)) was used. The high spectral resolution is important for interpreting spectra when multiple absorbers are present for inferring accurate gas temperatures from measured spectra and for monitoring weak absorbers. The present measurement paves the way for absorption spectroscopy by SHS in practical combustion devices, such as reciprocating and gas-turbine engines. PMID:18091974

  13. OH absorption spectroscopy in a flame using spatial heterodyne spectroscopy

    NASA Astrophysics Data System (ADS)

    Bartula, Renata J.; Ghandhi, Jaal B.; Sanders, Scott T.; Mierkiewicz, Edwin J.; Roesler, Fred L.; Harlander, John M.

    2007-12-01

    We demonstrate measurements of OH absorption spectra in the post-flame zone of a McKenna burner using spatial heterodyne spectroscopy (SHS). SHS permits high-resolution, high-throughput measurements. In this case the spectra span ~308-310 nm with a resolution of 0.03 nm, even though an extended source (extent of ~2×10-7 m2 rad2) was used. The high spectral resolution is important for interpreting spectra when multiple absorbers are present for inferring accurate gas temperatures from measured spectra and for monitoring weak absorbers. The present measurement paves the way for absorption spectroscopy by SHS in practical combustion devices, such as reciprocating and gas-turbine engines.

  14. Cryogenic resonant acoustic spectroscopy of bulk materials (CRA spectroscopy).

    PubMed

    Zimmer, Anja; Nawrodt, Ronny; Koettig, Torsten; Neubert, Ralf; Thürk, Matthias; Vodel, Wolfgang; Seidel, Paul; Tünnermann, Andreas

    2007-06-01

    The capability to measure Q factors at cryogenic temperatures enhances the ability to study relaxation processes in solids. Here we present a high-precision cryogenic setup with the ability to measure Q factors of at least 10(9). This level of sensitivity offers new potential for analyzing relaxation processes in solids and for correlating mode shape and relaxation strength. Our improved method of mechanical spectroscopy, cryogenic resonant acoustic spectroscopy of bulk materials, is verified by identifying relaxation processes in low-loss quartz crystals. For the first time, we observe additional damping peaks. The mechanical Q factors of different modes of cylindrical crystalline quartz substrates were measured from 300 down to 6 K. Resonant modes with frequencies between 10 and 325 kHz were excited without contact to the substrates and the ring down of the amplitudes was recorded using an interferometric vibration readout. PMID:17614624

  15. Stark Spectroscopy of Rubrene. I. Electroabsorption Spectroscopy and Molecular Parameters.

    PubMed

    Iimori, Toshifumi; Ito, Ryuichi; Ohta, Nobuhiro; Nakano, Hideyuki

    2016-06-30

    Electroabsorption spectroscopy investigation and the determination of molecular parameters for rubrene dispersed in a poly(methyl methacrylate) (PMMA) matrix are reported. The features of the band system in the absorption spectrum in PMMA are analogous to those in solutions. The changes in the electric dipole moment and the polarizability between the excited and ground states are determined from analysis of the Stark effect in the absorption band. The change in the transition dipole moment in the presence of an external electric field is also observed. Although rubrene is predicted to be classified as a nonpolar molecule, there is a contribution of the difference in the electric dipole moment between the excited and ground states to the electroabsorption spectrum. The origin of the nonzero difference in the electric dipole moment is argued. Stark fluorescence spectroscopy investigation is reported in Part II of this series. PMID:27257765

  16. Optical Spectroscopy at the Nanoscale

    NASA Astrophysics Data System (ADS)

    Hong, Xiaoping

    Recent advances in material science and fabrication techniques enabled development of nanoscale applications and devices with superior performances and high degree of integration. Exotic physics also emerges at nanoscale where confinement of electrons and phonons leads to drastically different behavior from those in the bulk materials. It is therefore rewarding and interesting to investigate and understand material properties at the nanoscale. Optical spectroscopy, one of the most versatile techniques for studying material properties and light-matter interactions, can provide new insights into the nanomaterials. In this thesis, I explore advanced laser spectroscopic techniques to probe a variety of different nanoscale phenomena. A powerful tool in nanoscience and engineering is scanning tunneling microscopy (STM). Its capability in atomic resolution imaging and spectroscopy unveiled the mystical quantum world of atoms and molecules. However identification of molecular species under investigation is one of the limiting functionalities of the STM. To address this need, we take advantage of the molecular `fingerprints' - vibrational spectroscopy, by combining an infrared light sources with scanning tunneling microscopy. In order to map out sharp molecular resonances, an infrared continuous wave broadly tunable optical parametric oscillator was developed with mode-hop free fine tuning capabilities. We then combine this laser with STM by shooting the beam onto the STM substrate with sub-monolayer diamondoids deposition. Thermal expansion of the substrate is detected by the ultrasensitive tunneling current when infrared frequency is tuned across the molecular vibrational range. Molecular vibrational spectroscopy could be obtained by recording the thermal expansion as a function of the excitation wavelength. Another interesting field of the nanoscience is carbon nanotube, an ideal model of one dimensional physics and applications. Due to the small light absorption with

  17. "Solvent Effects" in 1H NMR Spectroscopy.

    ERIC Educational Resources Information Center

    Cavaleiro, Jose A. S.

    1987-01-01

    Describes a simple undergraduate experiment in chemistry dealing with the "solvent effects" in nuclear magnetic resonance (NMR) spectroscopy. Stresses the importance of having students learn NMR spectroscopy as a tool in analytical chemistry. (TW)

  18. Frequency Comb Velocity Modulation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Cossel, Kevin C.; Sinclair, Laura C.; Coffey, Tyler; Cornell, Eric; Ye, Jun

    2011-06-01

    We have developed a novel technique for rapid ion-sensitive spectroscopy over a broad spectral bandwidth by combining the high sensitivity of velocity modulation spectroscopy (VMS) with the parallel nature and high frequency accuracy of cavity-enhanced direct frequency comb spectroscopy. Prior to this research, no techniques have been capable of high sensitivity velocity modulation spectroscopy on every parallel detection channel over such a broad spectral range. We have demonstrated the power of this technique by measuring the A^2Π_u - X^2Σ_g^+ (4,2) band of N_2^+ at 830 nm with an absorption sensitivity of 1×10-6 for each of 1500 simultaneous measurement channels spanning 150 Cm-1. A densely sampled spectrum consisting of interleaved measurements to achieve 75 MHz spacing is acquired in under an hour. This technique is ideally suited for high resolution survey spectroscopy of molecular ions with applications including chemical physics, astrochemistry, and precision measurement. Currently, this system is being used to map the electronic transitions of HfF^+ for the JILA electron electric dipole moment (eEDM) experiment. The JILA eEDM experiment uses trapped molecular ions to significantly increase the coherence time of the measurement in addition to utilizing the strong electric field enhancement available from molecules. Previous theoretical work has shown that the metastable ^3Δ_1 state in HfF^+ and ThF^+ provides high sensitivity to the eEDM and good cancellation of systematic effects; however, the electronic level structure of these species have not previously been measured, and the theoretical uncertainties are hundreds to thousands of wavenumbers. This necessitates broad-bandwidth, high-resolution survey spectroscopy provided by frequency comb VMS in the 700-900 nm spectral window. F. Adler, M. J. Thorpe, K. C. Cossel, and J. Ye. Annu. Rev. Anal. Chem. 3, 175-205 (2010) A. E. Leanhardt, et. al. arXiv:1008.2997v2 E. Meyer, J. L. Bohn, and M. P. Deskevich

  19. Optical spectroscopy of novel materials

    NASA Astrophysics Data System (ADS)

    Reijnders, Anjan A.

    Optical Spectroscopy is a well-established experimental technique for the study of solids, gasses, and liquids. This thesis focuses on two broad topics related to optical spectroscopy; experimental instrumentation, and its application to novel materials. The first half of the thesis discusses the design and construction of a novel, multifunctional magneto-optical spectroscopy apparatus with exceptional repeatability. Included are the operating principles of FTIR reflectance and transmittance spectroscopy, and the optical ray-tracing design, physical design, and characterization of a custom built magneto-optical spectroscopy apparatus. The second half of the thesis discusses the experimental results of a comprehensive spectroscopic study of Topological Insulators and thermoelectric Pb0.77Sn0.23Se. Topological Insulators (TIs) are a recently discovered phase of matter in which highly conductive free carriers are found on the surface of small band-gap insulators. A challenge in TI research is the experimental isolation of conductive surface states from the bulk states, which are frequently plagued by residual conductivity due to impurities. In this work, optical spectroscopy is used to simultaneously probe the bulk and surface states to study their individual optical properties, in addition to their coupling. Using variable temperature, crystal orientation, and a broad frequency range, we identify compounds with the most resistive bulk states, and provide new insights into carrier dynamics, surface state conductance suppression as a function of temperature, and practical material optimization guidelines for application purposes. A comprehensive optical investigation of Pb0.77Sn0.23Se is also discussed. This is a promising thermoelectric, which exhibits a temperature dependent band inversion, associated with a topological phase transition. We find clear evidence for this band inversion, and find a bulk carrier lifetime dominated by electron-acoustic phonon scattering

  20. Raman spectroscopy in halophile research

    PubMed Central

    Jehlička, Jan; Oren, Aharon

    2013-01-01

    Raman spectroscopy plays a major role in robust detection of biomolecules and mineral signatures in halophile research. An overview of Raman spectroscopic investigations in halophile research of the last decade is given here to show advantages of the approach, progress made as well as limits of the technique. Raman spectroscopy is an excellent tool to monitor and identify microbial pigments and other biomolecules in extant and extinct halophile biomass. Studies of bottom gypsum crusts from salterns, native evaporitic sediments, halite inclusions, and endoliths as well as cultures of halophilic microorganisms permitted to understand the content, distribution, and behavior of important molecular species. The first papers describing Raman spectroscopic detection of microbiological and geochemical key markers using portable instruments are highlighted as well. PMID:24339823

  1. Quantitative tunneling spectroscopy of nanocrystals

    SciTech Connect

    First, Phillip N; Whetten, Robert L; Schaaff, T Gregory

    2007-05-25

    The proposed goals of this collaborative work were to systematically characterize the electronic structure and dynamics of 3-dimensional metal and semiconducting nanocrystals using scanning tunneling microscopy/spectroscopy (STM/STS) and ballistic electron emission spectroscopy (BEES). This report describes progress in the spectroscopic work and in the development of methods for creating and characterizing gold nanocrystals. During the grant period, substantial effort also was devoted to the development of epitaxial graphene (EG), a very promising materials system with outstanding potential for nanometer-scale ballistic and coherent devices ("graphene" refers to one atomic layer of graphitic, sp2 -bonded carbon atoms [or more loosely, few layers]). Funding from this DOE grant was critical for the initial development of epitaxial graphene for nanoelectronics

  2. Raman spectroscopy in halophile research.

    PubMed

    Jehlička, Jan; Oren, Aharon

    2013-01-01

    Raman spectroscopy plays a major role in robust detection of biomolecules and mineral signatures in halophile research. An overview of Raman spectroscopic investigations in halophile research of the last decade is given here to show advantages of the approach, progress made as well as limits of the technique. Raman spectroscopy is an excellent tool to monitor and identify microbial pigments and other biomolecules in extant and extinct halophile biomass. Studies of bottom gypsum crusts from salterns, native evaporitic sediments, halite inclusions, and endoliths as well as cultures of halophilic microorganisms permitted to understand the content, distribution, and behavior of important molecular species. The first papers describing Raman spectroscopic detection of microbiological and geochemical key markers using portable instruments are highlighted as well. PMID:24339823

  3. Infrared spectroscopy with visible light

    NASA Astrophysics Data System (ADS)

    Kalashnikov, Dmitry A.; Paterova, Anna V.; Kulik, Sergei P.; Krivitsky, Leonid A.

    2016-02-01

    Spectral measurements in the infrared optical range provide unique fingerprints of materials, which are useful for material analysis, environmental sensing and health diagnostics. Current infrared spectroscopy techniques require the use of optical equipment suited for operation in the infrared range, components of which face challenges of inferior performance and high cost. Here, we develop a technique that allows spectral measurements in the infrared range using visible-spectral-range components. The technique is based on nonlinear interference of infrared and visible photons, produced via spontaneous parametric down conversion. The intensity interference pattern for a visible photon depends on the phase of an infrared photon travelling through a medium. This allows the absorption coefficient and refractive index of the medium in the infrared range to be determined from the measurements of visible photons. The technique can substitute and/or complement conventional infrared spectroscopy and refractometry techniques, as it uses well-developed components for the visible range.

  4. Liquid identification by Hilbert spectroscopy

    NASA Astrophysics Data System (ADS)

    Lyatti, M.; Divin, Y.; Poppe, U.; Urban, K.

    2009-11-01

    Fast and reliable identification of liquids is of great importance in, for example, security, biology and the beverage industry. An unambiguous identification of liquids can be made by electromagnetic measurements of their dielectric functions in the frequency range of their main dispersions, but this frequency range, from a few GHz to a few THz, is not covered by any conventional spectroscopy. We have developed a concept of liquid identification based on our new Hilbert spectroscopy and high- Tc Josephson junctions, which can operate at the intermediate range from microwaves to THz frequencies. A demonstration setup has been developed consisting of a polychromatic radiation source and a compact Hilbert spectrometer integrated in a Stirling cryocooler. Reflection polychromatic spectra of various bottled liquids have been measured at the spectral range of 15-300 GHz with total scanning time down to 0.2 s and identification of liquids has been demonstrated.

  5. Heavy quark spectroscopy and decay

    SciTech Connect

    Schindler, R.H.

    1987-01-01

    The understanding of q anti q systems containing heavy, charmed, and bottom quarks has progressed rapidly in recent years, through steady improvements in experimental techniques for production and detection of their decays. These lectures are meant to be an experimentalist's review of the subject. In the first of two lectures, the existing data on the spectroscopy of the bound c anti c and b anti b systems will be discussed. Emphasis is placed on comparisons with the theoretical models. The second lecture covers the rapidly changing subject of the decays of heavy mesons (c anti q and b anti q), and their excited states. In combination, the spectroscopy and decays of heavy quarks are shown to provide interesting insights into both the strong and electroweak interactions of the heavy quarks. 103 refs., 39 figs.

  6. Laser spectroscopy of sputtered atoms

    SciTech Connect

    Gruen, D.M.; Pellin, M.J.; Young, C.E.; Calaway, W.F.

    1985-01-01

    The use of laser radiation to study the sputtering process is of relatively recent origin. Much has been learned from this work about the basic physics of the sputtering process itself through measurements of velocity and excited state distributions of sputtered atoms and the effects of adsorbates on substrate sputtering yields. Furthermore, the identification, characterization, and sensitive detection of sputtered atoms by laser spectroscopy has led to the development of in situ diagnostics for impurity fluxes in the plasma edge regions of tokamaks and of ultrasensitive methods (ppB Fe in Si) for surface analysis with ultralow (picocoulomb) ion fluences. The techniques involved in this work, laser fluorescence and multiphoton resonance ionization spectroscopy, will be described and illustrations given of results achieved up to now. 55 refs., 5 figs., 1 tab.

  7. Two-dimensional NMR spectroscopy

    SciTech Connect

    Croasmun, W.R.; Carlson, R.M.K.

    1987-01-01

    Written for chemists and biochemists who are not NMR spectroscopists, but who wish to use the new techniques of two-dimensional NMR spectroscopy, this book brings together for the first time much of the practical and experimental data needed. It also serves as information source for industrial, academic, and graduate student researchers who already use NMR spectroscopy, but not yet in two dimensions. The authors describe the use of 2-D NMR in a wide variety of chemical and biochemical fields, among them peptides, steroids, oligo- and poly-saccharides, nucleic acids, natural products (including terpenoids, alkaloids, and coal-derived heterocyclics), and organic synthetic intermediates. They consider throughout the book both the advantages and limitations of using 2-D NMR.

  8. High-Speed Optical Spectroscopy

    NASA Astrophysics Data System (ADS)

    Marsh, T. R.

    The large surveys and sensitive instruments of modern astronomy are turning ever more examples of variable objects, many of which are extending the parameter space to testing theories of stellar evolution and accretion. Future projects such as the Laser Interferometer Space Antenna (LISA) and the Large Synoptic Survey Telescope (LSST) will only add more challenging candidates to this list. Understanding such objects often requires fast spectroscopy, but the trend for ever larger detectors makes this difficult. In this contribution I outline the science made possible by high-speed spectroscopy, and consider how a combination of the well-known progress in computer technology combined with recent advances in CCD detectors may finally enable it to become a standard tool of astrophysics.

  9. Spectroscopy, scattering, and KK molecules

    SciTech Connect

    Weinstein, J.

    1994-04-01

    The author presents a pedagogical description of a new theoretical technique, based on the multichannel Schroedinger equation, for simultaneously applying the quark model to both meson spectroscopy and meson-meson scattering. This is an extension of an earlier analysis which led to the prediction that the f{sub o}(975) and a{sub o}(980) scalar mesons are K{bar K} molecular states.

  10. Current trends in meteor spectroscopy

    NASA Technical Reports Server (NTRS)

    Millman, P. M.

    1982-01-01

    The history of progress over more than a century in meteor spectroscopy is summarized. The observational data were originally visual records, but in the beginning of the 20th century photography of meteor spectra was undertaken. In the forties, 60 meteor spectra were photographed. Interest in the upper atmosphere led to the development of more efficient meteor cameras which employ replica gratings, and electronic image intensification systems recordings on video tape which resulted in the availability of several thousand meteor spectra.

  11. Optical spectroscopy and tooth decay

    NASA Astrophysics Data System (ADS)

    Misra, P.; De, T.; Singh, R.

    2005-11-01

    Optical spectroscopy in the ultraviolet, visible and mid-infrared spectral regions has been used to discriminate between healthy and diseased teeth of patients in the age range 15-75 years. Spectral scans of absorbance versus wavenumber and fluorescence intensity versus wavelength have been recorded and investigated for caries and periodontal disease. Such optical diagnostics can prove very useful in the early detection and treatment of tooth decay.

  12. Heavy quark production and spectroscopy

    SciTech Connect

    Appel, J.A.

    1993-11-01

    This review covers many new experimental results on heavy flavor production and spectroscopy. It also shows some of the increasingly improved theoretical understanding of results in light of basic perturbative QCD and heavy quark symmetry. At the same time, there are some remaining discrepancies among experiments as well as significant missing information on some of the anticipated lowest lying heavy quark states. Most interesting, perhaps, are some clearly measured production effects awaiting full explanation.

  13. Fourier transform infrared (FTIR) spectroscopy.

    PubMed

    Berthomieu, Catherine; Hienerwadel, Rainer

    2009-01-01

    Fourier transform infrared (FTIR) spectroscopy probes the vibrational properties of amino acids and cofactors, which are sensitive to minute structural changes. The lack of specificity of this technique, on the one hand, permits us to probe directly the vibrational properties of almost all the cofactors, amino acid side chains, and of water molecules. On the other hand, we can use reaction-induced FTIR difference spectroscopy to select vibrations corresponding to single chemical groups involved in a specific reaction. Various strategies are used to identify the IR signatures of each residue of interest in the resulting reaction-induced FTIR difference spectra. (Specific) Isotope labeling, site-directed mutagenesis, hydrogen/deuterium exchange are often used to identify the chemical groups. Studies on model compounds and the increasing use of theoretical chemistry for normal modes calculations allow us to interpret the IR frequencies in terms of specific structural characteristics of the chemical group or molecule of interest. This review presents basics of FTIR spectroscopy technique and provides specific important structural and functional information obtained from the analysis of the data from the photosystems, using this method. PMID:19513810

  14. Electronic spectroscopy of diatomic molecules

    NASA Technical Reports Server (NTRS)

    Partridge, Harry; Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.

    1994-01-01

    This article provides an overview of the principal computational approaches and their accuracy for the study of electronic spectroscopy of diatomic molecules. We include a number of examples from our work that illustrate the range of application. We show how full configuration interaction benchmark calculations were instrumental in improving the understanding of the computational requirements for obtaining accurate results for diatomic spectroscopy. With this understanding it is now possible to compute radiative lifetimes accurate to within 10% for systems involving first- and second-row atoms. We consider the determination of the infrared vibrational transition probabilities for the ground states of SiO and NO, based on a globally accurate dipole moment function. We show how we were able to assign the a(sup "5)II state of CO as the upper state in the recently observed emission bands of CO in an Ar matrix. We next discuss the assignment of the photoelectron detachment spectra of NO and the alkali oxide negative ions. We then present several examples illustrating the state-of-the-art in determining radiative lifetimes for valence-valence and valence-Rydberg transitions. We next compare the molecular spectroscopy of the valence isoelectronic B2, Al2, and AlB molecules. The final examples consider systems involving transition metal atoms, which illustrate the difficulty in describing states with different numbers of d electrons.

  15. Calibration of DFT Functionals for the Prediction of 57Fe Mössbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove Essential

    PubMed Central

    Sandala, Gregory M.; Hopmann, Kathrin H.; Ghosh, Abhik

    2011-01-01

    Six popular density functionals in conjunction with the conductor-like screening (COSMO) solvation model have been used to obtain linear Mössbauer isomer shift (IS) and quadrupole splitting (QS) parameters for a test set of 20 complexes (with 24 sites) comprised of nonheme nitrosyls (Fe–NO) and non-nitrosyl (Fe–S) complexes. For the first time in an IS analysis, the Fe electron density was calculated both directly at the nucleus, ρ(0)N, which is the typical procedure, and on a small sphere surrounding the nucleus, ρ(0)S, which is the new standard algorithm implemented in the ADF software package. We find that both methods yield (near) identical slopes from each linear regression analysis but are shifted with respect to ρ(0) along the x-axis. Therefore, the calculation of the Fe electron density with either method gives calibration fits with equal predictive value. Calibration parameters obtained from the complete test set for OLYP, OPBE, PW91, and BP86 yield correlation coefficients (r2) of approximately 0.90, indicating that the calibration fit is of good quality. However, fits obtained from B3LYP and B3LYP* with both Slater-type and Gaussian-type orbitals are generally found to be of poorer quality. For several of the complexes examined in this study, we find that B3LYP and B3LYP* give geometries that possess significantly larger deviations from the experimental structures than OLYP, OPBE, PW91 or BP86. This phenomenon is particularly true for the di- and tetranuclear Fe complexes examined in this study. Previous Mössbauer calibration fit studies using these functionals have usually included mononuclear Fe complexes alone, where these discrepancies are less pronounced. An examination of spin expectation values reveals B3LYP and B3LYP* approach the weak-coupling limit more closely than the GGA exchange-correlation functionals. The high degree of variability in our calculated S2 values for the Fe–NO complexes highlights their challenging electronic structure. Significant improvements to the isomer shift calibrations are obtained for B3LYP and B3LYP* when geometries obtained with the OLYP functional are used. In addition, greatly improved performance of these functionals is found if the complete test set is grouped separately into Fe–NO and Fe–S complexes. Calibration fits including only Fe–NO complexes are found to be excellent, while those containing the non-nitrosyl Fe–S complexes alone are found to demonstrate less accurate correlations. Similar trends are also found with OLYP, OPBE, PW91, and BP86. Correlations between experimental and calculated QSs were also investigated. Generally, universal and separate Fe–NO and Fe–S fit parameters obtained to determine QSs are found to be of good to excellent quality for every density functional examined, especially if [Fe4(NO)4(μ3-S)4]− is removed from the test set. PMID:22039359

  16. Transcutaneous Raman Spectroscopy of Bone

    NASA Astrophysics Data System (ADS)

    Maher, Jason R.

    Clinical diagnoses of bone health and fracture risk typically rely upon measurements of bone density or structure, but the strength of a bone is also dependent upon its chemical composition. One technology that has been used extensively in ex vivo, exposed-bone studies to measure the chemical composition of bone is Raman spectroscopy. This spectroscopic technique provides chemical information about a sample by probing its molecular vibrations. In the case of bone tissue, Raman spectra provide chemical information about both the inorganic mineral and organic matrix components, which each contribute to bone strength. To explore the relationship between bone strength and chemical composition, our laboratory has contributed to ex vivo, exposed-bone animal studies of rheumatoid arthritis, glucocorticoid-induced osteoporosis, and prolonged lead exposure. All of these studies suggest that Raman-based predictions of biomechanical strength may be more accurate than those produced by the clinically-used parameter of bone mineral density. The utility of Raman spectroscopy in ex vivo, exposed-bone studies has inspired attempts to perform bone spectroscopy transcutaneously. Although the results are promising, further advancements are necessary to make non-invasive, in vivo measurements of bone that are of sufficient quality to generate accurate predictions of fracture risk. In order to separate the signals from bone and soft tissue that contribute to a transcutaneous measurement, we developed an overconstrained extraction algorithm that is based upon fitting with spectral libraries derived from separately-acquired measurements of the underlying tissue components. This approach allows for accurate spectral unmixing despite the fact that similar chemical components (e.g., type I collagen) are present in both soft tissue and bone and was applied to experimental data in order to transcutaneously detect, to our knowledge for the first time, age- and disease-related spectral

  17. Raman spectroscopy of bone metastasis

    NASA Astrophysics Data System (ADS)

    Esmonde-White, Karen A.; Sottnik, Joseph; Morris, Michael; Keller, Evan

    2012-02-01

    Raman spectroscopy of bone has been used to characterize chemical changes occurring in diseases such as osteoporosis, osteoarthritis and osteomyelitis. Metastasis of cancer into bone causes changes to bone quality that are similar to those observed in osteoporosis, such as decreased bone strength, but with an accelerated timeframe. In particular, osteolytic (bone degrading) lesions in bone metastasis have a marked effect on patient quality of life because of increased risk of fractures, pain, and hypercalcemia. We use Raman spectroscopy to examine bone from two different mouse models of osteolytic bone metastasis. Raman spectroscopy measures physicochemical information which cannot be obtained through standard biochemical and histological measurements. This study was reviewed and approved by the University of Michigan University Committee on the Care and Use of Animals. Two mouse models of prostate cancer bone metastasis, RM1 (n=3) and PC3-luc (n=4) were examined. Tibiae were injected with RM1 or PC3-luc cancer cells, while the contralateral tibiae received a placebo injection for use as controls. After 2 weeks of incubation, the mice were sacrificed and the tibiae were examined by Raman microspectroscopy (λ=785 nm). Spectroscopic markers corresponding to mineral stoichiometry, bone mineralization, and mineral crystallinity were compared in spectra from the cancerous and control tibiae. X-ray imaging of the tibia confirmed extensive osteolysis in the RM1 mice, with tumor invasion into adjoining soft tissue and moderate osteolysis in the PC3-luc mice. Raman spectroscopic markers indicate that osteolytic lesions are less mineralized than normal bone tissue, with an altered mineral stoichiometry and crystallinity.

  18. Theoretical methods for ultrafast spectroscopy.

    PubMed

    Marquardt, Roberto

    2013-05-10

    Time-resolved spectroscopy in the femtosecond and attosecond time domain is a tool to unravel the dynamics of nuclear and electronic motion in molecular systems. Theoretical insight into the underlying physical processes is ideally gained by solving the time-dependent Schrödinger equation. In this work, methods currently used to solve this equation are reviewed in a compact presentation. These methods involve numerical representations of wavefunctions and operators, the calculation of time evolution operators, the setting up of the Hamiltonian operators and the types of coordinates to be used hereto. The advantages and disadvantages of some methods are discussed. PMID:23606322

  19. Raman spectroscopy of shocked water

    SciTech Connect

    Holmes, N.C.; Mitchell, A.C.; Nellis, W.J.; Graham, W.B.; Walrafen, G.E.

    1983-07-01

    Raman scattering has been used extensively to study the vibrational and rotational properties of molecules under a variety of conditions. Here, interest is in the behavior of water molecules shocked to high pressures and temperatures. Behind the shock front the water molecules undergo changes in bonding and the molecules may become ionized. Raman spectroscopy can be used to determine the molecular species behind the shock front. In addition, changes in Raman spectra can yield information regarding inter- and intramolecular potentials and the temperature behind the shock front.

  20. Route to Attosecond Nonlinear Spectroscopy

    SciTech Connect

    Reiter, F.; Kienberger, R.; Graf, U.; Schweinberger, W.; Fiess, M.; Goulielmakis, E.; Serebryannikov, E. E.; Zheltikov, A. M.; Schultze, M.; Krausz, F.; Azzeer, A. M.

    2010-12-10

    We demonstrate generation of coherent microjoule-scale, low-order harmonic supercontinua in the deep and vacuum ultraviolet (4-9 eV), resulting from the nonlinear transformations of near-single-cycle laser pulses in a gas cell. We show theoretically that their formation is connected to a novel nonlinear regime, holding promise for the generation of powerful deep-UV and vacuum ultraviolet subfemtosecond pulses. Our work opens the route to pump-probe spectroscopy of subfemtosecond-scale valence-shell phenomena in atoms, molecules, and condensed matter.