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Sample records for bcc fe comparison

  1. Agglomeration Versus Localization Of Hydrogen In BCC Fe Vacancies

    International Nuclear Information System (INIS)

    Simonetti, S.; Juan, A.; Brizuela, G.; Simonetti, S.

    2006-01-01

    Severe embrittlement can be produced in many metals by small amounts of hydrogen. The interactions of hydrogen with lattice imperfections are important and often dominant in determining the influence of this impurity on the properties of solids. The interaction between four-hydrogen atoms and a BCC Fe structure having a vacancy has been studied using a cluster model and a semiempirical method. For a study of sequential absorption, the hydrogen atoms were positioned in their energy minima configurations, near to the tetrahedral sites neighbouring the vacancy. VH 2 and VH 3 complexes are energetically the most stables in BCC Fe. The studies about the stability of the hydrogen agglomeration gave as a result that the accumulation is unfavourable in complex vacancy-hydrogen with more than three atoms of hydrogen. (authors)

  2. Magnetism and disorder in BCC AlCuFe intermetallics

    International Nuclear Information System (INIS)

    Meyer, M.; Sanchez, F.; Mendoza-Zelis, L.

    2007-01-01

    We present here a systematic study of the structural and magnetic properties of a series of alloys around a central composition Al 50 Cu 20 Fe 30 , obtained by mechanical alloying. The samples have BCC crystalline structure with partial B2 order. Thermal annealing, through differential scanning calorimetry measurements, just removes some defects but does not change the crystalline structure. AC susceptibility measurements show that in spite of their structural similarity these samples have quite different magnetic behaviors. Furthermore, most of the samples show a complex magnetic evolution with temperature. Some samples have a cluster glass-like behavior at low temperatures and a superparamagnetic-like one at higher temperatures. A model of magnetic clusters originating in composition fluctuations across the alloy is proposed to explain the observed magnetic properties

  3. Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe.

    Science.gov (United States)

    Kvashnin, Y O; Cardias, R; Szilva, A; Di Marco, I; Katsnelson, M I; Lichtenstein, A I; Nordström, L; Klautau, A B; Eriksson, O

    2016-05-27

    By means of first principles calculations, we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure reveals a drastic difference between the 3d orbitals of E_{g} and T_{2g} symmetries. The latter ones define the shape of the Fermi surface, while the former ones form weakly interacting impurity levels. We demonstrate that, as a result of this, in Fe the T_{2g} orbitals participate in exchange interactions, which are only weakly dependent on the configuration of the spin moments and thus can be classified as Heisenberg-like. These couplings are shown to be driven by Fermi surface nesting. In contrast, for the E_{g} states, the Heisenberg picture breaks down since the corresponding contribution to the exchange interactions is shown to strongly depend on the reference state they are extracted from. Our analysis of the nearest-neighbor coupling indicates that the interactions among E_{g} states are mainly proportional to the corresponding hopping integral and thus can be attributed to be of double-exchange origin. By making a comparison to other magnetic transition metals, we put the results of bcc Fe into context and argue that iron has a unique behavior when it comes to magnetic exchange interactions.

  4. NiFe epitaxial films with hcp and fcc structures prepared on bcc-Cr underlayers

    International Nuclear Information System (INIS)

    Higuchi, Jumpei; Ohtake, Mitsuru; Sato, Yoichi; Kirino, Fumiyoshi; Futamoto, Masaaki

    2011-01-01

    NiFe epitaxial films are prepared on Cr(211) bcc and Cr(100) bcc underlayers grown hetero-epitaxially on MgO single-crystal substrates by ultra-high vacuum rf magnetron sputtering. The film growth behavior and the crystallographic properties are studied by reflection high energy electron diffraction and pole figure X-ray diffraction. Metastable hcp-NiFe(11-bar 00) and hcp-NiFe(112-bar 0) crystals respectively nucleate on Cr(211) bcc and Cr(100) bcc underlayers, where the hcp-NiFe crystals are stabilized through hetero-epitaxial growth. The hcp-NiFe(11-bar 00) crystal is a single-crystal with the c-axis parallel to the substrate surface, whereas the hcp-NiFe(112-bar 0) crystal is a bi-crystal with the respective c-axes lying in plane and perpendicular each other. With increasing the film thickness, the hcp structure in the NiFe films starts to transform into more stable fcc structure by atomic displacement parallel to the hcp(0001) close packed plane. The resulting films consist of hcp and fcc crystals.

  5. Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe

    NARCIS (Netherlands)

    Kvashnin, Y.O.; Cardias, R.; Szilva, A.; Di Marco, I.; Katsnelson, M.I.; Lichtenstein, A.I.; Nordstrom, L.; Klautau, A.B.; Eriksson, O.

    2016-01-01

    By means of first principles calculations, we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure reveals a drastic difference between the 3d orbitals of E-g and T-2g symmetries. The latter ones define the shape of the

  6. Hydrogen storage performance of Ti-V-based BCC phase alloys with various Fe content

    International Nuclear Information System (INIS)

    Yu, X.B.; Feng, S.L.; Wu, Z.; Xia, B.J.; Xu, N.X.

    2005-01-01

    The effect of Fe content on hydrogen storage characteristics of Ti-10Cr-18Mn-(32-x)V-xFe (x = 0, 2, 3, 4, 5) alloys has been investigated at 353 K. The X-ray diffraction (XRD) patterns and scanning electron microscopy (SEM) images of the alloys present BCC and C14 two-phase structures for all of the Fe-containing alloys. With the increasing Fe content, the lattice parameters of the BCC phase decrease, which results in an increase of the hydrogen desorption plateau pressure of the alloys. Among the studied alloys, Ti-10Cr-18Mn-27V-5Fe alloy exhibits the smallest PCT plateau slope and a more suitable plateau pressure (0.1 MPa equ <1 MPa). The maximum and effective capacities of the alloy are 3.32 wt.% and 2.26 wt.%, respectively, which are higher than other reported Fe-containing BCC phase alloys. In addition, the V/Fe ratio in this alloy is close to that of (VFe) alloy, whose cost is much lower than that of pure V

  7. Twin nucleation in Fe-based bcc alloys—modeling and experiments

    Science.gov (United States)

    Ojha, A.; Sehitoglu, H.; Patriarca, L.; Maier, H. J.

    2014-10-01

    We develop an analytical expression for twin nucleation stress in bcc metal and alloys considering generalized planar fault energy and the dislocations bounding the twin nucleus. We minimize the total energy to predict the twinning stress relying only on parameters that are obtained through atomistic calculations, thus excluding the need for any empirical constants. We validate the present approach by means of precise measurements of the onset of twinning in bcc Fe-50at% Cr single crystals showing excellent agreement. The experimental observations of the three activated slip systems of symmetric configuration in relation to the twinning mechanism are demonstrated via transmission electron microscopy techniques along with digital image correlation. We then confirm the validity of the model for Fe, Fe-25at% Ni and Fe-3at% V alloys compared with experiments from the literature to show general applicability.

  8. Electric quadrupole interaction in cubic BCC α-Fe

    Energy Technology Data Exchange (ETDEWEB)

    Błachowski, A.; Komędera, K. [Mössbauer Spectroscopy Division, Institute of Physics, Pedagogical University, ul. Podchorążych 2, PL-30-084 Kraków (Poland); Ruebenbauer, K., E-mail: sfrueben@cyf-kr.edu.pl [Mössbauer Spectroscopy Division, Institute of Physics, Pedagogical University, ul. Podchorążych 2, PL-30-084 Kraków (Poland); Cios, G.; Żukrowski, J. [AGH University of Science and Technology, Academic Center for Materials and Nanotechnology, Av. A. Mickiewicza 30, PL-30-059 Kraków (Poland); Górnicki, R. [RENON, ul. Gliniana 15/15, PL-30-732 Kraków (Poland)

    2016-07-15

    Mössbauer transmission spectra for the 14.41-keV resonant line in {sup 57}Fe have been collected at room temperature by using {sup 57}Co(Rh) commercial source and α-Fe strain-free single crystal as an absorber. The absorber was magnetized to saturation in the absorber plane perpendicular to the γ-ray beam axis applying small external magnetic field. Spectra were collected for various orientations of the magnetizing field, the latter lying close to the [110] crystal plane. A positive electric quadrupole coupling constant was found practically independent on the field orientation. One obtains the following value V{sub zz} = +1.61(4) × 10{sup 19} Vm{sup −2} for the (average) principal component of the electric field gradient (EFG) tensor under assumption that the EFG tensor is axially symmetric and the principal axis is aligned with the magnetic hyperfine field acting on the {sup 57}Fe nucleus. The nuclear spectroscopic electric quadrupole moment for the first excited state of the {sup 57}Fe nucleus was adopted as +0.17 b. Similar measurement was performed at room temperature using as-rolled polycrystalline α-Fe foil of high purity in the zero external field. Corresponding value for the principal component of the EFG was found as V{sub zz} = +1.92(4) × 10{sup 19} Vm{sup −2}. Hence, it seems that the origin of the EFG is primarily due to the local (atomic) electronic wave function distortion caused by the spin–orbit interaction between effective electronic spin S and incompletely quenched electronic angular momentum L. It seems as well that the lowest order term proportional to the product L·λ·S dominates, as no direction dependence of the EFG principal component is seen. The lowest order term is isotropic for a cubic symmetry as one has λ=λ 1 for cubic systems with the symbol 1 denoting unit operator and λ being the coupling parameter. - Highlights: • Precision of MS the same as MAPON • Real scans versus magnetization direction • A challenge

  9. Structural transformation in mechanosynthesized bcc Fe-Al-Si(Ge) solid solutions during heating

    International Nuclear Information System (INIS)

    Kubalova, L.M.; Sviridov, I.A.; Vasilyeva, O.Ya.; Fadeeva, V.I.

    2007-01-01

    X-ray diffractometry and Moessbauer spectroscopy study of Fe 50 Al 25 Si 25 and Fe 50 Al 25 Ge 25 alloys obtained by mechanical alloying (MA) of elementary powders was carried out. Phase transformation during heating of synthesized products was studied using differential scanning calorimetry (DSC). After 2.5 h of MA monophase alloys containing bcc Fe(Al, Ge) solid solutions Fe(Al, Si) are formed. Fe(Al, Si) is partially ordered B2 type and Fe(Al, Ge) is completely disordered. DSC curves of synthesized alloys displayed the presence of exothermal peaks caused by phase transformation. The metastable Fe(Al, Si) solid solution transformed into FeAl 1-x Si x (B2) and FeSi 1-x Al x (B20) equilibrium phases. The Fe(Al, Ge) solid solution transformed into equilibrium phases through intermediate stage of Fe 6 Ge 3 Al 2 metastable phase formation. The Fe 6 Ge 3 Al 2 phase dissociated into three equilibrium phases: FeAl 1-x Ge x (B2), χ-Fe 6 Ge 5 and η-Fe 13 (Ge, Al) 8 (B8 2 ). The structure of Fe 6 Ge 3 Al 2 was calculated by Rietveld method, the distribution of Al and Ge in the elementary cell and its parameters were calculated. Moessbauer study showed that Fe(Al, Si) and Fe(Al, Ge) solid solutions are paramagnetic. In the equilibrium state the alloy containing Si is also paramagnetic while the alloy with Ge showed ferromagnetic properties

  10. Twin migration in Fe-based bcc crystals: theory and experiments

    Science.gov (United States)

    Ojha, A.; Sehitoglu, H.; Patriarca, L.; Maier, H. J.

    2014-06-01

    We establish an overall energy expression to determine the twin migration stress in bcc metals. Twin migration succeeds twin nucleation often after a load drop, and a model to establish twin migration stress is of paramount importance. We compute the planar fault energy barriers and determine the elastic energies of twinning dislocations including the role of residual dislocations (br) and twin intersection types such as ?1 1 0?, ?1 1 3? and ?2 1 0?. The energy expression derived provides the twin migration stress in relation to the twin nucleation stress with a ratio of 0.5-0.8 depending on the resultant residual burgers vector and the intersection types. Utilizing digital image correlation, it was possible to differentiate the twin nucleation and twin advancement events experimentally, and transmission electron microscopy observations provided further support to the modelling efforts. Overall, the methodology developed provides an enhanced understanding of twin progression in bcc metals, and most importantly the proposed model does not rely on empirical constants. We utilize Fe-50at.%Cr in our experiments, and subsequently predict the twin migration stress for pure Fe, and Fe-3at.%V from the literature showing excellent agreement with experiments.

  11. Vibrational contribution to the thermodynamics of nanosized precipitates: vacancy-copper clusters in bcc-Fe

    International Nuclear Information System (INIS)

    Talati, Mina; Posselt, Matthias; Al-Motasem, Ahmed; Bergner, Frank; Bonny, Giovanni

    2012-01-01

    The effects of lattice vibration on the thermodynamics of nanosized coherent clusters in bcc-Fe consisting of vacancies and/or copper are investigated within the harmonic approximation. A combination of on-lattice simulated annealing based on Metropolis Monte Carlo simulations and off-lattice relaxation by molecular dynamics is applied to obtain the most stable cluster configurations at T = 0 K. The most recent interatomic potential built within the framework of the embedded-atom method for the Fe-Cu system is used. The total free energy of pure bcc-Fe and fcc-Cu as well as the total formation free energy and the total binding free energy of the vacancy-copper clusters are determined for finite temperatures. Our results are compared with the available data from previous investigations performed using many-body interatomic potentials and first-principles methods. For further applications in rate theory and object kinetic Monte Carlo simulations, the vibrational effects evaluated in the present study are included in the previously developed analytical fitting formulae. (paper)

  12. Comparison of different displacive processes in bcc crystals

    Czech Academy of Sciences Publication Activity Database

    Ostapovets, Andrej; Paidar, Václav

    2009-01-01

    Roč. 73, č. 9 (2009), s. 1188-1192 ISSN 1062-8738 R&D Projects: GA MŠk OC 149 Institutional research plan: CEZ:AV0Z10100520 Keywords : twinning * bcc-hcp transition * many-body potential Subject RIV: BM - Solid Matter Physics ; Magnetism

  13. Spin-polarized scanning tunneling microscopy of magnetic nanostructures at the example of bcc-Co/Fe(110), Fe/Mo(110), and copper phthalocyanine/Fe(1110); Spinpolarisierte Rastertunnelmikroskopie magnetischer Nanostrukturen am Beispiel von bcc-Co/Fe(110), Fe/Mo(110) und Kupfer-Phthalocyanin/Fe(110)

    Energy Technology Data Exchange (ETDEWEB)

    Methfessel, Torsten

    2010-12-09

    This thesis provides an introduction into the technique of spin-polarized scanning tunnelling microscopy and spectroscopy as an experimental method for the investigation of magnetic nanostructures. Experimental results for the spin polarized electronic structure depending on the crystal structure of ultrathin Co layers, and depending on the direction of the magnetization for ultrathin Fe layers are presented. High-resolution measurements show the position-dependent spin polarization on a single copper-phthalocyanine molecule deposited on a ferromagnetic surface. Co was deposited by molecular beam epitaxy on the (110) surface of the bodycentered cubic metals Cr and Fe. In contrast to previous reports in the literature only two layers of Co can be stabilized in the body-centered cubic (bcc) structure. The bcc-Co films on the Fe(110) surface show no signs of epitaxial distortions. Thicker layers reconstruct into a closed-packed structure (hcp / fcc). The bcc structure increases the spin-polarization of Co to P=62 % in comparison to hcp-Co (P=45 %). The temperature-dependent spin-reorientation of ultrathin Fe/Mo(110) films was investigated by spin-polarized spectroscopy. A reorientation of the magnetic easy axis from the [110] direction along the surface normal to the in-plane [001] axis is observed at T (13.2{+-}0.5) K. This process can be identified as a discontinuous reorientation transition, revealing two simultaneous minima of the free energy in a certain temperature range. The electronic structure of mono- and double-layer Fe/Mo(110) shows a variation with the reorientation of the magnetic easy axis and with the direction of the magnetization. The investigation of the spin-polarized charge transport through a copper-phthalocyanine molecule on the Fe/Mo(110) surface provides an essential contribution to the understanding of spin-transport at the interface between metal and organic molecule. Due to the interaction with the surface of the metal the HOMO-LUMO energy

  14. Diffusion behavior of Cr diluted in bcc and fcc Fe: Classical and quantum simulation methods

    Energy Technology Data Exchange (ETDEWEB)

    Ramunni, Viviana P., E-mail: vpram@cnea.gov.ar [CONICET, Avda. Rivadavia 1917, Cdad. de Buenos Aires C.P. 1033 (Argentina); Comisión Nacional de Energía Atómica, Gerencia Materiales, Av. Del Libertador 8250, C1429BNP Ciudad de Buenos Aires (Argentina); Rivas, Alejandro M.F. [CONICET, Avda. Rivadavia 1917, Cdad. de Buenos Aires C.P. 1033 (Argentina); Comisión Nacional de Energía Atómica, Departamento de Física Teórica, Tandar, Av. Del Libertador 8250, C1429BNP Ciudad de Buenos Aires (Argentina)

    2015-07-15

    We characterize the atomic mobility behavior driven by vacancies, in bcc and fcc Fe−Cr diluted alloys, using a multi-frequency model. We calculate the full set of the Onsager coefficients and the tracer self and solute diffusion coefficients in terms of the mean jump frequencies. The involved jump frequencies are calculated using a classical molecular static (CMS) technique. For the bcc case, we also perform quantum calculations based on the density functional theory (DFT). There, we show that, in accordance with Bohr's correspondence principle, as the size of the atomic cell (total number of atoms) is increased, quantum results with DFT recover the classical ones obtained with CMS calculations. This last ones, are in perfect agreement with available experimental data for both, solute and solvent diffusion coefficients. For high temperatures, in the fcc phase where no experimental data are yet available, our CMS calculations predict the expected solute and solvent diffusion coefficients. - Graphical abstract: Display Omitted - Highlights: • Comparison of diffusion coefficients obtained from classical and quantum methods. • We perform our calculations in diluted bcc/fcc Fe–Cr alloy. • Magnetic and phonon effects must be taken into account. • Classical calculations are in perfect agreement with experimental data.

  15. Compositional Variation of the Phonon Dispersion Curves of bcc Fe-Ga Alloys

    International Nuclear Information System (INIS)

    Zarestky, Jerel L.; Garlea, Vasile O.; Lograsso, Tom; Schlagel, D.L.; Stassis, C.

    2005-01-01

    Inelastic neutron scattering techniques have been used to measure the phonon dispersion curves of bcc Fe1-xGax x=10.8, 13.3, 16.0, 22.5 alloys as a function of Ga concentration. The phonon frequencies of every branch were found to decrease significantly with increasing Ga concentration. The softening was most pronounced for the T2 0 branch and, to a lesser extent, the L branch in the vicinity of = 2 3. The concentration dependence of the shear elastic constant C =1/2 C11-C12 , calculated from the slope of the T2 0 branch, was found to agree with the results of sound velocity measurements. For the higher concentration sample measured, 22.5 at. % Ga, new branches appeared, an effect associated with the increase in the number of atoms per unit cell.

  16. Trends in exchange interactions for bcc Fe/TaW(001)

    Energy Technology Data Exchange (ETDEWEB)

    Ondracek, Martin; Kudrnovsky, Josef; Maca, Frantisek [Institute of Physics, ASCR, Prague (Czech Republic); Bengone, Olivier [University of Strasbourg, IPCM, Strasbourg (France); Turek, Ilja [Institute of Physics of Materials, ASCR, Brno (Czech Republic); Department of Condensed Matter Physics, Charles University, Prague (Czech Republic)

    2009-07-01

    A recent study of Ferriani et al. investigated the possibility of tuning the magnetic order of the Fe monolayer on the disordered bcc-Ta(x)W(1-x)[001] surface. We will further extend this study by constructing the effective two-dimensional Heisenberg Hamiltonian, which describes exchange interactions in the iron monolayer in detail. We investigate the behavior of exchange integrals as a function of the composition of the alloy substrate, but also as a function of distance (damping due to disorder) and the dependence on the crystallographic directions in the overlayer. The calculated exchange integrals allow us to estimate the spin stiffness and the corresponding critical temperatures. We also wish to investigate the crossover between the ferromagnetic and antiferromagnetic state from the point of view of the stability of the Heisenberg Hamiltonian with respect to magnon excitations. The present study will help us to deeper understand the character of magnetic phase transition of the Fe overlayer due to disorder in the alloy substrate.

  17. First principles calculations of interlayer exchange coupling in bcc Fe/Cu/Fe structures

    Energy Technology Data Exchange (ETDEWEB)

    Kowalewski, M.; Heninrich, B. [Simon Fraser Univ., Burnaby, British Columbia (Canada); Schulthess, T.C.; Butler, W.H. [Oak Ridge National Lab., TN (United States)

    1998-01-01

    The authors report on theoretical calculations of interlayer exchange coupling between two Fe layers separated by a modified Cu spacer. These calculations were motivated by experimental investigations of similar structures by the SFU group. The multilayer structures of interest have the general form: Fe/Cu(k)/Fe and Fe/Cu(m)/X(1)/Cu(n)/Fe where X indicates one AL (atomic layer) of foreign atoms X (Cr, Ag, or Fe) and k, m, n represent the number of atomic layers of Cu. The purpose of the experimental and theoretical work was to determine the effect of modifying the pure Cu spacer by replacing the central Cu atomic layer with the atomic layer of foreign atoms X. The first principles calculation were performed using the Layer Korringa-Kohn-Rostoker (LKKR) method. The theoretical thickness dependence of the exchange coupling between two semi-infinite Fe layers was calculated for pure Cu spacer thicknesses in the range of 0 < k < 16. The effect of the foreign atoms X on the exchange coupling was investigated using the structure with 9 AL Cu spacer as a reference sample. The calculated changes in the exchange coupling are in qualitative agreement with experiment.

  18. Quantum-well states and induced magnetism in Fe/CuN/Fe bcc (001) trilayers

    DEFF Research Database (Denmark)

    Niklasson, A.M.N.; Mirbt, S.; Skriver, Hans Lomholt

    1996-01-01

    profiles of two single Fe/Cu interfaces. The small deviations from this simple superposition are shown to be a consequence of quantum-well states confined within the paramagnetic spacer. This connection is confirmed by direct calculation of the state density. The results are of conceptual interest...

  19. Towards an unbiased comparison of CC, BCC, and FCC lattices in terms of prealiasing

    KAUST Repository

    Vad, Viktor

    2014-06-01

    In the literature on optimal regular volume sampling, the Body-Centered Cubic (BCC) lattice has been proven to be optimal for sampling spherically band-limited signals above the Nyquist limit. On the other hand, if the sampling frequency is below the Nyquist limit, the Face-Centered Cubic (FCC) lattice was demonstrated to be optimal in reducing the prealiasing effect. In this paper, we confirm that the FCC lattice is indeed optimal in this sense in a certain interval of the sampling frequency. By theoretically estimating the prealiasing error in a realistic range of the sampling frequency, we show that in other frequency intervals, the BCC lattice and even the traditional Cartesian Cubic (CC) lattice are expected to minimize the prealiasing. The BCC lattice is superior over the FCC lattice if the sampling frequency is not significantly below the Nyquist limit. Interestingly, if the original signal is drastically undersampled, the CC lattice is expected to provide the lowest prealiasing error. Additionally, we give a comprehensible clarification that the sampling efficiency of the FCC lattice is lower than that of the BCC lattice. Although this is a well-known fact, the exact percentage has been erroneously reported in the literature. Furthermore, for the sake of an unbiased comparison, we propose to rotate the Marschner-Lobb test signal such that an undue advantage is not given to either lattice. © 2014 The Eurographics Association and John Wiley & Sons Ltd. Published by John Wiley & Sons Ltd.

  20. Point defects in B.C.C. Fe-Al, Fe-Co, and Fe-Co-V ordered alloys

    International Nuclear Information System (INIS)

    Riviere, J.P.; Dinhut, J.F.

    1982-01-01

    Radiation damage produced at 20 K by 2.5 MeV electrons is studied in three B 2 type Fe-40 at % Al, Fe-Co, Fe-Co-V ordered alloys. The resistivity damage in Fe-40 at % Al ordered single crystals is found less effective in the directions. The results suggest that replacement collision chains are difficult to propagate along the direction. Frenkel pair creation superimposed with disordering can account for the resistivity damage in the initially ordered Fe-Co alloy. Informations concerning replacement collision sequences in direction are derived. During the recovery of all the alloys, three main stages are observed and an ordering enhancement occurs. (author)

  1. About oxide dispersion particles chemical compatibility with areas coherent dissipation/sub-grains of bcc-alloys in Fe - (Cr, V, Mo, W systems

    Directory of Open Access Journals (Sweden)

    Udovsky A.

    2016-01-01

    Full Text Available A concept of partial magnetic moments (PMM of the iron atoms located in the first ч four coordination spheres (1÷4 CS for bcc lattice have been introduced based on analysis of results obtained by quantum-mechanical calculations (QMC for volume dependence of the average magnetic moment ferromagnetic (FM Fe. The values of these moments have been calculated for pure bcc Fe and bcc - Fe-Cr alloys. This concept has been used to formulate a three sub-lattice model for binary FM alloys of the Fe-M systems (M is an alloying paramagnetic element. Physical reason for sign change dependence of the short-range order and mixing enthalpy obtained by QMCs for Fe-(Cr, V bcc phases has been found. Using this model it has been predicted that static displacements of Fe - atoms in alloy matrix increase with increasing the of CS number and result in reducing of the area of coherent dissipation (ACD size with growth of the dimension factor (DF in the Fe-(Cr, V, Mo, W systems in agreement with the X-ray experiments. It has been shown theoretically that anisotropy of spin- density in bcc lattice Fe and DF in binary Fe - (Cr, V, Mo, W systems is main factor for origins of segregations on small angle boundaries of ACD and sub-grains boundaries To prevent the coagulation of both ACD and sub-grains, and to increase the strength of alloys, it is advisable to add oxide dispersion particles into ferrite steel taking into account their chemical compatibility and coherent interfacing with the crystalline lattice of a ferrite matrix. Application of phase diagrams for binary and ternary the Fe-(Y, Zr-O systems to verify chemical compatibility of oxide dispersion particles with ferrite matrix have been discussed

  2. Grain boundaries in bcc-Fe: a density-functional theory and tight-binding study

    Science.gov (United States)

    Wang, Jingliang; Madsen, Georg K. H.; Drautz, Ralf

    2018-02-01

    Grain boundaries (GBs) have a significant influence on material properties. In the present paper, we calculate the energies of eleven low-Σ ({{Σ }}≤slant 13) symmetrical tilt GBs and two twist GBs in ferromagnetic bcc iron using first-principles density functional theory (DFT) calculations. The results demonstrate the importance of a sufficient sampling of initial rigid body translations in all three directions. We show that the relative GB energies can be explained by the miscoordination of atoms at the GB region. While the main features of the studied GB structures were captured by previous empirical interatomic potential calculations, it is shown that the absolute values of GB energies calculated were substantially underestimated. Based on DFT-calculated GB structures and energies, we construct a new d-band orthogonal tight-binding (TB) model for bcc iron. The TB model is validated by its predictive power on all the studied GBs. We apply the TB model to block boundaries in lath martensite and demonstrate that the experimentally observed GB character distribution can be explained from the viewpoint of interface energy.

  3. Comparison of mechanical and thermodynamic properties of fcc and bcc titanium under high pressure

    Science.gov (United States)

    Zhang, Yongmei; Zhao, Yuhong; Hou, Hua; Wen, Zhiqin; Duan, Meiling

    2018-02-01

    The mechanical and thermodynamic properties of fcc and bcc Ti have been discussed based on the first-principles calculation combined with the quasi-harmonic Debye model. We find that the bulk modulus B, shear modulus G, Young’s modulus E of fcc Ti are larger, while Poisson’s ratio σ is smaller than that of bcc Ti under the same pressure, which indicates the better mechanical performance of fcc Ti compared with bcc Ti. The values of B/G and σ indicate that mechanically stable fcc structure is much less ductile than the bcc structure, while mechanically metastable fcc structure has better ductility than stable bcc structure under high pressure. The normalized volume, isothermal bulk modulus, heat capacity, volume thermal expansion coefficient and Debye temperature under pressure and temperature for fcc and bcc Ti are predicted.

  4. The glide of screw dislocations in bcc Fe: Atomistic static and dynamic simulations

    International Nuclear Information System (INIS)

    Chaussidon, Julien; Fivel, Marc; Rodney, David

    2006-01-01

    We present atomic-scale simulations of screw dislocation glide in bcc iron. Using two interatomic potentials that, respectively, predict degenerate and non-degenerate core structures, we compute the static 0 K dependence of the screw dislocation Peierls stress on crystal orientation and show strong boundary condition effects related to the generation of non-glide stress components. At finite temperatures we show that, with a non-degenerate core, glide by nucleation/propagation of kink-pairs in a {1 1 0} glide plane is obtained at low temperatures. A transition in the twinning region, towards an average {1 1 2} glide plane, with the formation of debris loops is observed at higher temperatures

  5. Exact ab initio transport coefficients in bcc Fe-X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys

    Science.gov (United States)

    Messina, Luca; Nastar, Maylise; Garnier, Thomas; Domain, Christophe; Olsson, Pär

    2014-09-01

    Defect-driven diffusion of impurities is the major phenomenon leading to formation of embrittling nanoscopic precipitates in irradiated reactor pressure vessel (RPV) steels. Diffusion depends strongly on the kinetic correlations that may lead to flux coupling between solute atoms and point defects. In this work, flux coupling phenomena such as solute drag by vacancies and radiation-induced segregation at defect sinks are systematically investigated for six bcc iron-based dilute binary alloys, containing Cr, Cu, Mn, Ni, P, and Si impurities, respectively. First, solute-vacancy interactions and migration energies are obtained by means of ab initio calculations; subsequently, self-consistent mean field theory is employed in order to determine the exact Onsager matrix of the alloys. This innovative multiscale approach provides a more complete treatment of the solute-defect interaction than previous multifrequency models. Solute drag is found to be a widespread phenomenon that occurs systematically in ferritic alloys and is enhanced at low temperatures (as for instance RPV operational temperature), as long as an attractive solute-vacancy interaction is present, and that the kinetic modeling of bcc alloys requires the extension of the interaction shell to the second-nearest neighbors. Drag occurs in all alloys except Fe(Cr); the transition from dragging to nondragging regime takes place for the other alloys around (Cu, Mn, Ni) or above (P, Si) the Curie temperature. As far as only the vacancy-mediated solute migration is concerned, Cr depletion at sinks is foreseen by the model, as opposed to the other impurities which are expected to enrich up to no less than 1000 K. The results of this study confirm the current interpretation of the hardening processes in ferritic-martensitic steels under irradiation.

  6. Ab initio study of solute transition-metal interactions with point defects in bcc Fe

    NARCIS (Netherlands)

    Olsson, P.; Klaver, T.P.C.; Domain, C.

    2010-01-01

    The properties of 3d, 4d, and 5d transition-metal elements in ?-Fe have been studied using ab initio density-functional theory. The intrinsic properties of the solutes have been characterized as well as their interaction with point defects. Vacancies and interstitials of (110) and (111) orientations

  7. Multi-scale Modelling of bcc-Fe Based Alloys for Nuclear Applications

    International Nuclear Information System (INIS)

    Malerba, Lorenzo

    2008-01-01

    Understanding the basic mechanisms that determine microstructure changes in neutron irradiated steels is vital for a safe lifetime management of existing nuclear reactors and a safe design of future nuclear options. Low-alloyed ferritic steels containing Cu, Ni, Mn and Si as principal solute atoms are used as structural materials for current reactor vessels. The microstructural evolution under irradiation in alloys is decided by the interplay between defect formation and thermodynamic driving forces, together determining the appearance of phase transformations (precipitation, segregation,...) and favouring or delaying the nucleation and growth of point-defect clusters, their diffusion and their mutual recombination or removal at sinks. A reliable description of the production, evolution and accumulation of radiation damage must therefore start from the atomic level and requires being able to describe multicomponent systems for timescales ranging from few picoseconds to years. This goal demands firstly the fabrication of interatomic potentials for alloys that must be both consistent with the thermodynamic properties of the system and capable of reproducing correctly the characteristic solute-point defect interactions, versus ab initio or experimental data. Secondly the performance of extensive molecular dynamics (MD) simulations, to grasp the main mechanisms of defect production, diffusion, mutual interaction, and interaction with solute atoms and impurities. Thirdly, the development of simulation tools capable of describing the microstructure evolution beyond the time-frame and length-scale of MD, while reproducing as much as possible the atomic-level origin of the mechanisms governing the evolution of the system, including phase changes. In this presentation the results of recent efforts made in this direction in the case of Fe-Cu, Fe-Cr and Fe-Ni alloys, as basic model alloys for the description of steels of technological relevance, are highlighted. In particular

  8. Spin-polarized electron tunneling in bcc FeCo/MgO/FeCo(001) magnetic tunnel junctions.

    Science.gov (United States)

    Bonell, F; Hauet, T; Andrieu, S; Bertran, F; Le Fèvre, P; Calmels, L; Tejeda, A; Montaigne, F; Warot-Fonrose, B; Belhadji, B; Nicolaou, A; Taleb-Ibrahimi, A

    2012-04-27

    In combining spin- and symmetry-resolved photoemission, magnetotransport measurements and ab initio calculations we detangled the electronic states involved in the electronic transport in Fe(1-x)Co(x)(001)/MgO/Fe(1-x)Co(x)(001) magnetic tunnel junctions. Contrary to previous theoretical predictions, we observe a large reduction in TMR (from 530 to 200% at 20 K) for Co content above 25 atomic% as well as anomalies in the conductance curves. We demonstrate that these unexpected behaviors originate from a minority spin state with Δ(1) symmetry that exists below the Fermi level for high Co concentration. Using angle-resolved photoemission, this state is shown to be a two-dimensional state that occurs at both Fe(1-x)Co(x)(001) free surface, and more importantly at the interface with MgO. The combination of this interface state with the peculiar density of empty states due to chemical disorder allows us to describe in details the complex conduction behavior in this system.

  9. Atomic displacements in bcc dilute alloys

    Indian Academy of Sciences (India)

    We present here a systematic investigation of the atomic displacements in bcc transition metal (TM) dilute alloys. We have calculated the atomic displacements in bcc (V, Cr, Fe, Nb, Mo, Ta and W) transition metals (TMs) due to 3d, 4d and 5d TMs at the substitutional site using the Kanzaki lattice static method. Wills and ...

  10. Atomic displacements in bcc dilute alloys

    Indian Academy of Sciences (India)

    Abstract. We present here a systematic investigation of the atomic displacements in bcc transition metal (TM) dilute alloys. We have calculated the atomic displacements in bcc. (V, Cr, Fe, Nb, Mo, Ta and W) transition metals (TMs) due to 3d, 4d and 5d TMs at the substitutional site using the Kanzaki lattice static method.

  11. Epitaxial growth of Co(0 0 0 1)hcp/Fe(1 1 0)bcc magnetic bi-layer films on SrTiO3(1 1 1) substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Shikada, Kouhei; Kirino, Fumiyoshi; Futamoto, Masaaki

    2008-01-01

    Co(0 0 0 1) hcp /Fe(1 1 0) bcc epitaxial magnetic bi-layer films were successfully prepared on SrTiO 3 (1 1 1) substrates. The crystallographic properties of Co/Fe epitaxial magnetic bi-layer films were investigated. Fe(1 1 0) bcc soft magnetic layer grew epitaxially on SrTiO 3 (1 1 1) substrate with two type variants, Nishiyama-Wasserman and Kurdjumov-Sachs relationships. An hcp-Co single-crystal layer is obtained on Ru(0 0 0 1) hcp interlayer, while hcp-Co layer formed on Au(1 1 1) fcc or Ag(1 1 1) fcc interlayer is strained and may involve fcc-Co phase. It has been shown possible to prepare Co/Fe epitaxial magnetic bi-layer films which can be usable for patterned media application

  12. Ab initio study of symmetrical tilt grain boundaries in bcc Fe: structural units, magnetic moments, interfacial bonding, local energy and local stress

    International Nuclear Information System (INIS)

    Bhattacharya, Somesh Kr; Tanaka, Shingo; Kohyama, Masanori; Shiihara, Yoshinori

    2013-01-01

    We present first-principle calculations on symmetric tilt grain boundaries (GBs) in bcc Fe. Using density functional theory (DFT), we studied the structural, electronic and magnetic properties of Σ3(111) and Σ11(332) GBs formed by rotation around the [110] axis. The optimized structures, GB energies and GB excess free volumes are consistent with previous DFT and classical simulation studies. The GB configurations can be interpreted by the structural unit model as given by Nakashima and Takeuchi (2000 ISIJ 86 357). Both the GBs are composed of similar structural units of three- and five-membered rings with different densities at the interface according to the rotation angle. The interface atoms with larger atomic volumes reveal higher magnetic moments than the bulk value, while the interface atoms with shorter bond lengths have reduced magnetic moments in each GB. The charge density and local density of states reveal that the interface bonds with short bond lengths have more covalent nature, where minority-spin electrons play a dominant role as the typical nature of ferromagnetic Fe. In order to understand the structural stability of these GBs, we calculated the local energy and local stress for each atomic region using the scheme of Shiihara et al (2010 Phys. Rev. B 81 075441). In each GB, the interface atoms with larger atomic volumes and enhanced magnetic moments reveal larger local energy increase and tensile stress. The interface atoms constituting more covalent-like bonds with reduced magnetic moments have lower local energy increase, contributing to the stabilization, while compressive stress is generated at these atoms. The relative stability between the two GBs can be understood by the local energies at the structural units. The local energy and local stress analysis is a powerful tool to investigate the structural properties of GBs based on the behavior of valence electrons. (paper)

  13. On hyper BCC-algebras

    OpenAIRE

    Borzooei, R. A.; Dudek, W. A.; Koohestani, N.

    2006-01-01

    We study hyper BCC-algebras which are a common generalization of BCC-algebras and hyper BCK-algebras. In particular, we investigate different types of hyper BCC-ideals and describe the relationship among them. Next, we calculate all nonisomorphic 22 hyper BCC-algebras of order 3 of which only three are not hyper BCK-algebras.

  14. On hyper BCC-algebras

    Directory of Open Access Journals (Sweden)

    R. A. Borzooei

    2006-01-01

    Full Text Available We study hyper BCC-algebras which are a common generalization of BCC-algebras and hyper BCK-algebras. In particular, we investigate different types of hyper BCC-ideals and describe the relationship among them. Next, we calculate all nonisomorphic 22 hyper BCC-algebras of order 3 of which only three are not hyper BCK-algebras.

  15. Magnetic nanostructures in FeNbB studied by small-angle neutron scattering

    Science.gov (United States)

    Marcin, J.; Wiedenmann, A.; Škorvánek, I.

    2000-03-01

    The evolution of nuclear and magnetic microstructure during crystallization of amorphous FeNbB alloys at temperatures between 450°C and 510°C is investigated by a small-angle neutron scattering (SANS). From the nuclear and magnetic scattering the corresponding size distributions of BCC-Fe nanocrystals are determined. The average radius of the magnetized core of BCC-Fe grains has been found to be smaller in comparison with the size of nanograins itself.

  16. Smarandache hyper BCC-algebra

    OpenAIRE

    Ahadpanah, A.; Borumand Saeid, A.

    2011-01-01

    In this paper, we define the Smarandache hyper BCC-algebra, and Smarandache hyper BCC-ideals of type 1, 2, 3 and 4. We state and prove some theorems in Smarandache hyper BCC -algebras, and then we determine the relationships between these hyper ideals.

  17. Crack growth in Fe-2.7 wt% Si single crystals under cyclic loading and 3D atomistic results in bcc iron

    Czech Academy of Sciences Publication Activity Database

    Landa, Michal; Machová, Anna; Uhnáková, Alena; Pokluda, J.; Lejček, Pavel

    2016-01-01

    Roč. 87, June (2016), s. 63-70 ISSN 0142-1123 R&D Projects: GA ČR(CZ) GAP108/10/0698; GA ČR GAP108/12/0144; GA ČR(CZ) GA15-20666S; GA ČR GA13-13616S Institutional support: RVO:61388998 ; RVO:68378271 Keywords : grack growth * cyclic loading * Bcc iron Subject RIV: JL - Materials Fatigue, Friction Mechanics; BM - Solid Matter Physics ; Magnetism (FZU-D) Impact factor: 2.899, year: 2016 http://ac.els-cdn.com/S014211231500448X/1-s2.0-S014211231500448X-main.pdf?_tid=96e3e5a0-fb08-11e5-92cb-00000aab0f02&acdnat=1459845181_19fcdd93d31b1f140714e52b835b33d8

  18. Comparison of Microstructural and Morphological Properties of Electrodeposited Fe-Cu Thin Films with Low and High Fe : Cu Ratio

    Directory of Open Access Journals (Sweden)

    Umut Sarac

    2013-01-01

    Full Text Available Fe-Cu films with low and high Fe : Cu ratio have been produced from the electrolytes with different Fe ion concentrations at a constant deposition potential of −1400 mV versus saturated calomel electrode (SCE by electrodeposition technique onto indium tin oxide (ITO coated conducting glass substrates. It was observed that the variation of Fe ion concentration in the electrolyte had a very strong influence on the compositional, surface morphological, and microstructural properties of the Fe-Cu films. An increase in the Fe ion concentration within the plating bath increased the Fe content, consequently Fe : Cu ratio within the films. The crystallographic structure analysis showed that the Fe-Cu films had a mixture of face-centered cubic (fcc Cu and body centered cubic (bcc α-Fe phases. The average crystallite size decreased with the Fe ion concentration. The film electrodeposited from the electrolyte with low Fe ion concentration exhibited a morphology consisting of dendritic structures. However, the film morphology changed from dendritic structure to cauliflower-like structure at high Fe ion concentration. The surface roughness and grain size were found to decrease significantly with increasing Fe ion concentration in the electrolyte. The significant differences observed in the microstructural and morphological properties caused by the change of Fe ion concentration in the electrolyte were ascribed to the change of Fe : Cu ratio within the films.

  19. Evaluate and Analysis Efficiency of Safaga Port Using DEA-CCR, BCC and SBM Models-Comparison with DP World Sokhna

    Science.gov (United States)

    Elsayed, Ayman; Shabaan Khalil, Nabil

    2017-10-01

    The competition among maritime ports is increasing continuously; the main purpose of Safaga port is to become the best option for companies to carry out their trading activities, particularly importing and exporting The main objective of this research is to evaluate and analyze factors that may significantly affect the levels of Safaga port efficiency in Egypt (particularly the infrastructural capacity). The assessment of such efficiency is a task that must play an important role in the management of Safaga port in order to improve the possibility of development and success in commercial activities. Drawing on Data Envelopment Analysis(DEA)models, this paper develops a manner of assessing the comparative efficiency of Safaga port in Egypt during the study period 2004-2013. Previous research for port efficiencies measurement usually using radial DEA models (DEA-CCR), (DEA-BCC), but not using non radial DEA model. The research applying radial - output oriented (DEA-CCR), (DEA-BCC) and non-radial (DEA-SBM) model with ten inputs and four outputs. The results were obtained from the analysis input and output variables based on DEA-CCR, DEA-BCC and SBM models, by software Max DEA Pro 6.3. DP World Sokhna port higher efficiency for all outputs were compared to Safaga port. DP World Sokhna position is below the southern entrance to the Suez Canal, on the Red Sea, Egypt, makes it strategically located to handle cargo transiting through one of the world's busiest commercial waterways.

  20. Vibrational properties of vacancy in bcc transition metals using ...

    Indian Academy of Sciences (India)

    The embedded atom method (EAM) potentials, with the universal form of the embedding function along with the Morse form of pair potential, have been employed to determine the potential parameters for three bcc transition metals: Fe, Mo, and W, by fitting to Cauchy pressure (C12−C44)/2, shear constants ...

  1. Vibrational properties of vacancy in bcc transition metals using ...

    Indian Academy of Sciences (India)

    By introducing a few modifications in the Johnson and. Oh model, Guellil and Adams [5] have applied the EAM model for studying phonon dis- persion, thermal and surface properties of alkali and transition metals and their alloys. An empirical many-body interaction potential for the bcc transition metals Nb, Fe and Cr was.

  2. In-situ transmission electron microscopy study of ion-irradiated copper : comparison of the temperature dependence of cascade collapse in FCC- and BCC- metals.

    Energy Technology Data Exchange (ETDEWEB)

    Daulton, T. L.

    1998-10-23

    The kinetics which drive cascade formation and subsequent collapse into point-defect clusters is investigated by analyzing the microstructure produced in situ by low fluence 100 keV Kr ion irradiations of fcc-Cu over a wide temperature range (18-873 K). The yield of collapsed point-defect clusters is demonstrated unequivocally to be temperature dependent, remaining approximately constant up to lattice temperatures of 573 K and then abruptly decreasing with increasing temperature. This drop in yield is not caused by defect loss during or following ion irradiation. This temperature dependence can be explained by a thermal spike effect. These in-situ yield measurements are compared to previous ex-situ yield measurements in fcc-Ni and bcc-Mo.

  3. Comparison of trace element contamination levels (Cu, Zn, Fe, Cd ...

    African Journals Online (AJOL)

    Comparison of trace element contamination levels (Cu, Zn, Fe, Cd and Pb) in the soft tissues of the gastropods Tympanotonus fuscatus fuscatus and Tf radula collected in the Ebrié Lagoon (Côte d'Ivoire): Evidence of the risks linked to linked to lead and.

  4. BCC and Childhood Low Dose Radiation

    Directory of Open Access Journals (Sweden)

    Arash Beiraghi Toosi

    2014-10-01

    Full Text Available Skin cancer is a late complication of ionizing radiation. Two skin neoplasms prominent Basal Cell Carcinoma (BCC and Squamous Cell Carcinoma (SCC are the most famous complications of radiotherapy. Basal Cell Carcinoma (BCC is the most common human malignant neoplasm. Many genetic and environmental factors are involved in its onset. BCC is observed in sun-exposed areas of skin. Some patients with scalp BCC have had a history of scalp radiation for the treatment of tinea capitis in childhood. Evidence that ionizing radiation is carcinogenic first came from past reports of nonmelanoma skin cancers on the hands of workers using radiation devices. The total dose of radiation and irradiated site exposed to sunlight can lead to a short incubation period. It is not clear whether BCC in these cases has a more aggressive nature and requires a more aggressive resection of the lesion. The aim of this review was to evaluate the differences between BCC specification and treatment results between irradiated and nonirradiated patients.

  5. Ab initio search for a high permeability material based on bcc iron

    Science.gov (United States)

    Ostanin, S.; Staunton, J. B.; Razee, S. S.; Demangeat, C.; Ginatempo, B.; Bruno, Ezio

    2004-02-01

    Using the fully relativistic spin-polarized Korringa-Kohn-Rostoker method, we study the prototypical soft magnet, bcc iron. We investigate how its magnetic anisotropy (MAE) varies as a function of volume, band filling, and tetragonal distortions of the crystal lattice. We follow the trends of the linear magnetostriction and magnetic permeability. We find that a slight reduction in band filling and modest lattice expansion produces a significant magnetic softening of this model system. We explore whether this situation can be realized by doping bcc Fe with vanadium. Treating the compositional disorder with the coherent potential approximation, we calculate the magnetic anisotropy and magnetostriction trends of iron-rich Fe1-cVc disordered alloys and find the behavior to accord with the predictions from the bcc Fe model. In particular we find that for c≈0.1 the MAE is very small and the linear magnetostriction is zero. We propose Fe0.9V0.1 as a high permeability material. Fair agreement with experimental values for the MAE and magnetostriction of both Fe and FeV is found.

  6. Systematic group-specific trends for point defects in bcc transition metals: An ab initio study

    International Nuclear Information System (INIS)

    Nguyen-Manh, D.; Dudarev, S.L.; Horsfield, A.P.

    2007-01-01

    Density functional theory calculations have been performed to study the systematic trends of point defect behaviours in bcc transition metals. We found that in all non-magnetic bcc transition metals, the most stable self-interstitial atom (SIAs) defect configuration has the symmetry. The calculated formation energy differences between the dumbbell and the lowest-energy configuration of metals in group 5B (V, Nb, Ta) are consistently larger than those of the corresponding element in group 6B (Cr, Mo, W). The predicted trends of SIA defects are fundamentally different from those in ferromagnetic α-Fe and correlate very well with the pronounced group-specific variation of thermally activated migration of SIAs under irradiation depending on the position of bcc metals in the periodic table

  7. Atomistic simulations of dislocations in a model BCC multicomponent concentrated solid solution alloy

    International Nuclear Information System (INIS)

    Rao, S.I.; Varvenne, C.; Woodward, C.; Parthasarathy, T.A.; Miracle, D.; Senkov, O.N.; Curtin, W.A.

    2017-01-01

    Molecular statics and molecular dynamics simulations are presented for the structure and glide motion of a/2〈111〉 dislocations in a randomly-distributed model-BCC Co 16.67 Fe 36.67 Ni 16.67 Ti 30 alloy. Core structure variations along an individual dislocation line are found for a/2〈111〉 screw and edge dislocations. One reason for the core structure variations is the local variation in composition along the dislocation line. Calculated unstable stacking fault energies on the (110) plane as a function of composition vary significantly, consistent with this assessment. Molecular dynamics simulations of the critical glide stress as a function of temperature show significant strengthening, and much shallower temperature dependence of the strengthening, as compared to pure BCC Fe as well as a reference mean-field BCC alloy material of the same overall composition, lattice and elastic constants as the target alloy. Interpretation of the strength versus temperature in terms of an effective kink-pair activation model shows the random alloy to have a much larger activation energy than the mean-field alloy or BCC Fe. This is interpreted as due to the core structure variations along the dislocation line that are often unfavorable for glide in the direction of the load. The configuration of the gliding dislocation is wavy, and significant debris is left behind, demonstrating the role of local composition and core structure in creating kink pinning (super jogs) and/or deflection of the glide plane of the dislocation. - Graphical abstract: Measured critical resolved shear stress scaled by the (111) shear modulus (39 GPa) necessary to achieve on-going glide as a function of temperature, for the a/2[111] screw dislocation in the model BCC Co 16.67 Fe 36.67 Ni 16.67 Ti 30 alloy. The upper and lower bounds of the critical resolved shear stress is shown in the plot. Also shown in is the measured strength for the mean-field A-atom material and BCC Fe as a function of

  8. First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al-TM (TM = Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods

    International Nuclear Information System (INIS)

    Ghosh, G.; Walle, A. van de; Asta, M.

    2008-01-01

    The thermodynamic properties of solid solutions with body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) structures in the Al-TM (TM = Ti, Zr and Hf) systems are calculated from first-principles using cluster expansion (CE), Monte-Carlo simulation and supercell methods. The 32-atom special quasirandom structure (SQS) supercells are employed to compute properties at 25, 50 and 75 at.% TM compositions, and 64-atom supercells have been employed to compute properties of alloys in the dilute concentration limit (one solute and 63 solvent atoms). In general, the energy of mixing (Δ m E) calculated by CE and dilute supercells agree very well. In the concentrated region, the Δ m E values calculated by CE and SQS methods also agree well in many cases; however, noteworthy discrepancies are found in some cases, which we argue originate from inherent elastic and dynamic instabilities of the relevant parent lattice structures. The importance of short-range order on the calculated values of Δ m E for hcp Al-Ti alloys is demonstrated. We also present calculated results for the composition dependence of the atomic volumes in random solid solutions with bcc, fcc and hcp structures. The properties of solid solutions reported here may be integrated within the CALPHAD formalism to develop reliable thermodynamic databases in order to facilitate: (i) calculations of stable and metastable phase diagrams of binary and multicomponent systems, (ii) alloy design, and (iii) processing of Al-TM-based alloys

  9. Fine structure at the diffusion welded interface of Fe3Al/Q235 ...

    Indian Academy of Sciences (India)

    Unknown

    DO3 type body centred cubic (bcc) structure to α-Fe (Al) solid solution with B2 type bcc structure. ... the diffusion of alloy elements causes the transitional zone ... Table 1. Chemical composition and thermophysical properties of Fe3Al intermetallic compound. Chemical composition (wt%). Fe. Al. Cr. Nb. Zr. Mn. B. Ce. 81⋅02.

  10. Lattice dynamical calculations for bcc caesium chloride | Taura ...

    African Journals Online (AJOL)

    We present a lattice dynamical calculation of Caesium Chloride (CsCl) whose atoms form a bcc lattice having one type of atom at the cube centre and the other type on the corners of the cube. Dispersion curves, density of state, and lattice specific heat of bcc Caesium Chloride were computed. The code used in the ...

  11. Lattice dynamical calculations for bcc caesium chloride | Taura ...

    African Journals Online (AJOL)

    In general, the obtained results agree reasonably well with the experimental data of the bcc Caesium Chloride. Keywords: Bcc caesium chloride; Lattice dynamics; Phonon dispersion; Density of state; Specific heat. Journal of the Nigerian Association of Mathematical Physics, Volume 20 (March, 2012), pp 261 – 266 ...

  12. Comparison of trace element contamination levels (Cu, Zn, Fe, Cd ...

    African Journals Online (AJOL)

    SERVER

    2008-03-18

    Mar 18, 2008 ... Chemical analysis of the trace elements in the soft tissues. The trace elements of interest (Cu, Zn, Fe, Pb, Cd) were then determined in the digested solutions, using Thermoelemental type. M6 brand of an atomic absorption Spectrometer equipped with a flame operated atomisation system and a deuterium ...

  13. bcc-iron as a promising new monochromator material for thermal neutrons

    Science.gov (United States)

    Kirscht, Patrick; Sobolev, Oleg; Eckold, Götz

    2018-04-01

    The development of high-performance neutron monochromators is a long-standing and still actual topic in neutron instrumentation. Due to its high scattering cross section, iron is a particularly interesting material since it offers the possibility to obtain high reflectivities at small wavelength and good resolution. Phase transitions between bcc- and fcc-phases hindered the growth of large and high-quality single crystals in the past and only recently bcc-crystals became commercially available. We have characterized the reflecting properties of as-grown and deformed crystals using γ-rays and thermal neutrons. Absolute reflectivities well above 30% for neutron wavelengths near 1 Å could be obtained that are superior to that of all other existing monochromator materials. Hence, the progress in crystal growth along with the knowledge of directed plastic deformation makes the development of bcc-Fe neutron monochromators feasible. Their application in crystal-monochromator instruments is suitable to increase the useful neutron flux at large energies considerably.

  14. Microfluidic preparation of [18F]FE-SUPPY and [18F]FE-SUPPY:2 - comparison with conventional radiosyntheses

    International Nuclear Information System (INIS)

    Ungersboeck, Johanna; Philippe, Cecile; Mien, Leonhard-Key; Haeusler, Daniela; Shanab, Karem; Lanzenberger, Rupert; Spreitzer, Helmut; Keppler, Bernhard K.; Dudczak, Robert; Kletter, Kurt; Mitterhauser, Markus; Wadsak, Wolfgang

    2011-01-01

    Introduction: Recently, first applications of microfluidic principles for radiosyntheses of positron emission tomography compounds were presented, but direct comparisons with conventional methods were still missing. Therefore, our aims were (1) the set-up of a microfluidic procedure for the preparation of the recently developed adenosine A 3 -receptor tracers [ 18 F]FE-SUPPY [5-(2-[ 18 F]fluoroethyl)2,4-diethyl-3-(ethylsulfanylcarbonyl) -6-phenylpyridine-5-carboxylate] and [ 18 F]FE-SUPPY:2 [5-ethyl-2,4-diethyl-3-((2-[ 18 F]fluoroethyl)sulfanylcarbonyl) -6-phenylpyridine-5-carboxylate] and (2) the direct comparison of reaction conditions and radiochemical yields of the no-carrier-added nucleophilic substitution with [ 18 F]fluoride between microfluidic and conventional methods. Methods: For the determination of optimal reaction conditions within an Advion NanoTek synthesizer, 5-50 μl of precursor and dried [ 18 F]fluoride solution were simultaneously pushed through the temperature-controlled reactor (26 o C-180 o C) with defined reactant bolus flow rates (10-50 μl/min). Radiochemical incorporation yields (RCIYs) and overall radiochemical yields for large-scale preparations were compared with data from conventional batch-mode syntheses. Results: Optimal reaction parameters for the microfluidic set-up were determined as follows: 170 o C, 30-μl/min pump rate per reactant (reaction overall flow rate of 60 μl/min) and 5-mg/ml precursor concentration in the reaction mixture. Applying these optimized conditions, we observed a significant increase in RCIY from 88.2% to 94.1% (P 18 F]FE-SUPPY and that from 42.5% to 95.5% (P 18 F]FE-SUPPY:2 using microfluidic instead of conventional heating. Precursor consumption was decreased from 7.5 and 10 mg to 1 mg per large-scale synthesis for both title compounds, respectively. Conclusion: The direct comparison of radiosyntheses data applying a conventional method and a microfluidic approach revealed a significant increase of RCIY

  15. Metastable bcc phase formation in the Nb-Cr system

    Energy Technology Data Exchange (ETDEWEB)

    Thoma, D.J.; Schwarz, R.B. [Los Alamos National Lab., NM (United States); Perepezko, J.H. [Wisconsin Univ., Madison, WI (United States). Dept. of Materials Science and Engineering; Plantz, D.H. [Coast Guard Academy, New London, CT (United States). Dept. of Engineering

    1993-08-01

    Extended metastable bcc solid solutions of Nb-Xat.%Cr (X = 35, 50, 57, 77, 82, and 94) were synthesized by two-anvil splat-quenching. In addition, bcc (Nb-67at.%Cr) was prepared by mechanically alloying mixtures of niobium and chromium powders. The lattice parameters were measured by X-ray diffraction and the Young`s moduli were measured by low-load microindentation. The composition dependence of the lattice parameters and elastic moduli show a positive deviation with respect to a rule of mixtures. During continuous heating at 15C/min., the metastable precursor bcc phases decomposed at temperatures above 750C to uniformly refined microstructures.

  16. Role of Fe substitution and quenching rate on the formation of ...

    Indian Academy of Sciences (India)

    At higher quenching rates (wheel speed ∼ 25 m/sec) all the alloys exhibit icosahedral phase. For Al65Cu20Cr12Fe3 alloy, however, both the icosahedral and even the decagonal phases get formed at higher quenching rates. At higher quenching rate, alloy having Fe 3 at% exhibits two bcc phases, bccI ( = 8.9 Å) and bccII ...

  17. Comparative analysis of termoscale effects, isomerization and stability of TM-nanoclusters (Pd,Ni,Fe and Si in dependence on interatomic potentials. MD-simulations

    Directory of Open Access Journals (Sweden)

    Galashev А.Е.

    2011-05-01

    Full Text Available Basing on the MD-simulated data the comparison of physicochemical properties of TM-nanoclusters (Pd,Ni,Fe, and Si-nanoparticles has been carried on in the purpose to understand the specificity of structure changes in depending on nature of interatomic bonds and initial structures (fcc, bcc, icosahedral – Ih. MDsimulation of thermic evolution including melting of TM- and Si- clusters was carried on up to 2000K.

  18. Role of Fe substitution and quenching rate on the formation of ...

    Indian Academy of Sciences (India)

    Unknown

    At higher quenching rates (wheel speed ~ 25 m/sec) all the alloys exhibit icosahedral phase. For. Al65Cu20Cr12Fe3 alloy, however, both the icosahedral and even the decagonal phases get formed at higher quenching rates. At higher quenching rate, alloy having Fe 3 at% exhibits two bcc phases, bccI (a = 8⋅9 Å) and.

  19. Ideal strength of bcc molybdenum and niobium

    Science.gov (United States)

    Luo, Weidong; Roundy, D.; Cohen, Marvin L.; Morris, J. W.

    2002-09-01

    The behavior of bcc Mo and Nb under large strain was investigated using the ab initio pseudopotential density-functional method. We calculated the ideal shear strength for the {211} and {011} slip systems and the ideal tensile strength in the direction, which are believed to provide the minimum shear and tensile strengths. As either material is sheared in either of the two systems, it evolves toward a stress-free tetragonal structure that defines a saddle point in the strain-energy surface. The inflection point on the path to this tetragonal ``saddle-point'' structure sets the ideal shear strength. When either material is strained in tension along , it initially follows the tetragonal, ``Bain,'' path toward a stress-free fcc structure. However, before the strained crystal reaches fcc, its symmetry changes from tetragonal to orthorhombic; on continued strain it evolves toward the same tetragonal saddle point that is reached in shear. In Mo, the symmetry break occurs after the point of maximum tensile stress has been passed, so the ideal strength is associated with the fcc extremum as in W. However, a Nb crystal strained in becomes orthorhombic at tensile stress below the ideal strength. The ideal tensile strength of Nb is associated with the tetragonal saddle point and is caused by failure in shear rather than tension. In dimensionless form, the ideal shear and tensile strengths of Mo (τ*=τm/G111=0.12, σ*=σm/E100=0.078) are essentially identical to those previously calculated for W. Nb is anomalous. Its dimensionless shear strength is unusually high, τ*=0.15, even though the saddle-point structure that causes it is similar to that in Mo and W, while its dimensionless tensile strength, σ*=0.079, is almost the same as that of Mo and W, even though the saddle-point structure is quite different.

  20. Comparison of Ab initio low-energy models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe, and FeTe. Electron correlation and covalency

    International Nuclear Information System (INIS)

    Miyake, Takashi; Nakamura, Kazuma; Arita, Ryotaro; Imada, Masatoshi

    2010-01-01

    Effective low-energy Hamiltonians for several different families of iron-based superconductors are compared after deriving them from the downfolding scheme based on first-principles calculations. Systematic dependences of the derived model parameters on the families are elucidated, many of which are understood from the systematic variation of the covalency between Fe-3d and pnictogen-/chalcogen-p orbitals. First, LaFePO, LaFeAsO (1111), BaFe 2 As 2 (122), LiFeAs (111), FeSe, and FeTe (11) have overall similar band structures near the Fermi level, where the total widths of 10-fold Fe-3d bands are mostly around 4.5 eV. However, the derived effective models of the 10-fold Fe-3d bands (d model) for FeSe and FeTe have substantially larger effective onsite Coulomb interactions U - 4.2 and 3.4 eV, respectively, after the screening by electrons on other bands and after averaging over orbitals, as compared to ∼2.5 eV for LaFeAsO. The difference is similar in the effective models containing p orbitals of As, Se or Te (dp or dpp model), where U ranges from ∼4 eV for the 1111 family to ∼7 eV for the 11 family. The exchange interaction J has a similar tendency. The family dependence of models indicates a wide variation ranging from weak correlation regime (LaFePO) to substantially strong correlation regime (FeSe). The origin of the larger effective interaction in the 11 family is ascribed to smaller spread of the Wannier orbitals generating larger bare interaction, and to fewer screening channels by the other bands. This variation is primarily derived from the distance h between the pnictogen/chalcogen position and the Fe layer: The longer h for the 11 family generates more ionic character of the bonding between iron and anion atoms, while the shorter h for the 1111 family leads to more covalent-bonding character, the larger spread of the Wannier orbitals, and more efficient screening by the anion p orbitals. The screened interaction of the d model is strongly orbital

  1. Pivotal ERIVANCE basal cell carcinoma (BCC) study: 12-month update of efficacy and safety of vismodegib in advanced BCC.

    Science.gov (United States)

    Sekulic, Aleksandar; Migden, Michael R; Lewis, Karl; Hainsworth, John D; Solomon, James A; Yoo, Simon; Arron, Sarah T; Friedlander, Philip A; Marmur, Ellen; Rudin, Charles M; Chang, Anne Lynn S; Dirix, Luc; Hou, Jeannie; Yue, Huibin; Hauschild, Axel

    2015-06-01

    Primary analysis from the pivotal ERIVANCE BCC study resulted in approval of vismodegib, a Hedgehog pathway inhibitor indicated for treatment of adults with metastatic or locally advanced basal cell carcinoma (BCC) that has recurred after surgery or for patients who are not candidates for surgery or radiation. An efficacy and safety analysis was conducted 12 months after primary analysis. This was a multinational, multicenter, nonrandomized, 2-cohort study in patients with measurable and histologically confirmed locally advanced or metastatic BCC taking oral vismodegib (150 mg/d). Primary outcome measure was objective response rate (complete and partial responses) assessed by independent review facility. After 12 months of additional follow-up, median duration of exposure to vismodegib was 12.9 months. Objective response rate increased from 30.3% to 33.3% in patients with metastatic disease, and from 42.9% to 47.6% in patients with the locally advanced form. Median duration of response in patients with locally advanced BCC increased from 7.6 to 9.5 months. No new safety signals emerged with extended treatment duration. Limitations include low prevalence of advanced BCC and challenges of designing a study with heterogenous manifestations. The 12-month update of the study confirms the efficacy and safety of vismodegib in management of advanced BCC. Copyright © 2015 American Academy of Dermatology, Inc. Published by Elsevier Inc. All rights reserved.

  2. Properties of grain boundaries in BCC iron and iron-based alloys

    Energy Technology Data Exchange (ETDEWEB)

    Terentyev, D.; He, Xinfu

    2010-08-15

    The report contains a summary of work done within the collaboration established between SCK-CEN and CIEA, performed during the internship of Xinfu He (CIAE) in the period of September 2009 to June 2010. In this work, we have carried out an atomistic study addressing the properties of grain boundaries in BCC Fe and Fe-Cr alloys. Throughout this work we report on the structural and cohesive properties of grain boundaries; thermal stability; interaction of grain boundaries with He and diffusivity of He in the core of the grain boundaries; equilibrium segregation of Cr near the grain boundary zone; cleavage fracture of grain boundaries; influence of the Cr precipitates, voids and He bubbles on the structure and strength of grain boundaries.

  3. Atomistic studies of nucleation of He clusters and bubbles in bcc iron

    International Nuclear Information System (INIS)

    Yang, L.; Deng, H.Q.; Gao, F.; Heinisch, H.L.; Kurtz, R.J.; Hu, S.Y.; Li, Y.L.; Zu, X.T.

    2013-01-01

    Atomistic simulations of the nucleation of He clusters and bubbles in bcc iron at 800 K have been carried out using the newly developed Fe–Fe interatomic potential, along with Ackland potential for the Fe–Fe interactions. Microstructure changes were analyzed in detail. We found that a He cluster with four He atoms is able to push out an iron interstitial from the cluster, creating a Frenkel pair. Small He clusters and self-interstitial atom (SIA) can migrate in the matrix, but He-vacancy (He-V) clusters are immobile. Most SIAs form clusters, and only the dislocation loops with a Burgers vector of b = 1/2 appear in the simulations. SIA clusters (or loops) are attached to He-V clusters for He implantation up to 1372 appm, while the He-V cluster–loop complexes with more than one He-V cluster are formed at the He concentration of 2057 appm and larger

  4. Calculation Of Phonon Dispersion Frequencies For Bcc Tantalum ...

    African Journals Online (AJOL)

    The phonon dispersion frequencies are calculated from first principles for bcc Tantalum using a resonance pseudopotential model. It was also possible, using this scheme, to account for the anomalous feature of the Ta dispersion curve observed experimentally in the (ε,o,o,) direction where the frequencies of the transverse ...

  5. Point defect relaxation in irraddiated B.C.C. metals

    International Nuclear Information System (INIS)

    Moser, P.

    1977-01-01

    Improvements in the preparation of samples has led to substantial progress in the field of point defect relaxation processes in b.c.c. irradiated metals. The recent well established experimental phenomena and current interpretations are reviewed, with a special emphasis on iron, which allows simultaneous study of anelastic and magnetic relaxations

  6. Shear instabilities in perfect bcc crystals during simulated tensile tests

    Czech Academy of Sciences Publication Activity Database

    Černý, M.; Šesták, P.; Pokluda, J.; Šob, Mojmír

    2013-01-01

    Roč. 87, č. 1 (2013), 014117/1-014117/4 ISSN 1098-0121 R&D Projects: GA ČR(CZ) GAP108/12/0311 Institutional support: RVO:68081723 Keywords : instabilities * tensile test * bcc metals * ab initio calculations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013

  7. Calculation of elastic constants of BCC transition metals: tight-binding recursion method

    International Nuclear Information System (INIS)

    Masuda, K.; Hamada, N.; Terakura, K.

    1984-01-01

    The elastic constants of BCC transition metals (Fe, Nb, Mo and W) are calculated by using the tight-binding d band and the Born-Mayer repulsive potential. Introducing a small distortion characteristic to C 44 (or C') elastic deformation and calculating the energy change up to second order in the atomic displacement, the shear elastic constants C 44 and C' are determined. The elastic constants C 11 and C 12 are then calculated by using the relations B=1/3(C 11 + 2C 12 ) and C'=1/2(C 11 -C 12 ), where B is the bulk modulus. In general, the agreement between the present results and the experimental values is satisfactory. The characteristic elasticity behaviour, i.e. the strong Nsub(d) (number of d electrons) dependence of the observed anisotropy factor A=C 44 /C', will also be discussed. (author)

  8. Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Ning; Setyawan, Wahyu; Kurtz, Richard J.; Wang, Zhiguang

    2017-09-01

    The effect of applied strains on the configurational evolution of self-interstitial clusters in BCC iron (Fe) is explored with atomistic simulations. A novel cluster configuration is discovered at low temperatures (<600 K), which consists of <110> dumbbells and <111> crowdions in a specific configuration, resulting in an immobile defect. The stability and diffusion of this cluster at higher temperatures is explored. In addition, an anisotropy distribution factor of a particular [hkl] interstitial loop within the family of loops is calculated as a function of strain. The results show that loop anisotropy is governed by the angle between the stress direction and the orientation of the <111> crowdions in the loop, and directly linked to the stress induced preferred nucleation of self-interstitial atoms.

  9. Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron

    Science.gov (United States)

    Gao, Ning; Setyawan, Wahyu; Kurtz, Richard J.; Wang, Zhiguang

    2017-09-01

    The effect of applied strains on the configurational evolution of self-interstitial clusters in BCC iron (Fe) is explored with atomistic simulations. A novel cluster configuration is discovered at low temperatures (dumbbells and 〈 111 〉 crowdions in a specific configuration, resulting in an immobile defect. The stability and diffusion of this cluster at higher temperatures is explored. In addition, an anisotropy distribution factor of a particular [ hkl ] interstitial loop within the family of 〈 hkl 〉 loops is calculated as a function of strain. The results show that loop anisotropy is governed by the angle between the stress direction and the orientation of the 〈 111 〉 crowdions in the loop, and directly linked to the stress induced preferred nucleation of self-interstitial atoms.

  10. Thermodynamic assessment of the La-Fe-O system

    DEFF Research Database (Denmark)

    Povoden-Karadeniz, E.; Grundy, A.N.; Chen, Ming

    2009-01-01

    The La-Fe and the La-Fe-O systems are assessed using the Calphad approach, and the Gibbs energy functions of ternary oxides are presented. Oxygen and mutual La and Fe solubilities in body-centered cubic (bcc) and face-centered cubic (fcc) structured metallic phases are considered in the modeling....

  11. Fe/V and Fe/Co (0 0 1) superlattices: growth, anisotropy, magnetisation and magnetoresistance

    International Nuclear Information System (INIS)

    Nordblad, P.; Broddefalk, A.; Mathieu, R.; Blomqvist, P.; Eriksson, O.; Waeppling, R.

    2003-01-01

    Some physical properties of BCC Fe/V and Fe/Co (0 0 1) superlattices are reviewed. The dependence of the magnetic anisotropy on the in-plane strain introduced by the lattice mismatch between Fe and V is measured and compared to a theoretical derivation. The dependence of the magnetic anisotropy (and saturation magnetisation) on the layer thickness ratio Fe/Co is measured and a value for the anisotropy of BCC Co is derived from extrapolation. The interlayer exchange coupling of Fe/V superlattices is studied as a function of the V layer thickness (constant Fe thickness) and layer thickness of Fe (constant V thickness). A region of antiferromagnetic coupling and GMR is found for V thicknesses 12-14 monolayers. However, surprisingly, a 'cutoff' of the antiferromagnetic coupling and GMR is found when the iron layer thickness exceeds about 10 monolayers

  12. The effect of Mn and B on the magnetic and structural properties of nanostructured Fe60Al40 alloys produced by mechanical alloying.

    Science.gov (United States)

    Rico, M M; Alcázar, G A Pérez; Zamora, L E; González, C; Greneche, J M

    2008-06-01

    The effect of Mn and B on the magnetic and structural properties of nanostructured samples of the Fe60Al40 system, prepared by mechanical alloying, was studied by 57Fe Mössbauer spectrometry, X-ray diffraction and magnetic measurements. In the case of the Fe(60-x)Mn(x)Al40 system, 24 h milling time is required to achieve the BCC ternary phase. Different magnetic structures are observed according to the temperature and the Mn content for alloys milled during 48 h: ferromagnetic, antiferromagnetic, spin-glass, reentrant spin-glass and superparamagnetic behavior. They result from the bond randomness behaviour induced by the atomic disorder introduced by the MA process and from the competitive interactions of the Fe-Fe ferromagnetic interactions and the Mn-Mn and Fe-Mn antiferromagnetic interactions and finally the presence of Al atoms acting as dilutors. When B is added in the Fe60Al40 alloy and milled for 12 and 24 hours, two crystalline phases were found: a prevailing FeAl BCC phase and a Fe2B phase type. In addition, one observes an additional contribution attributed to grain boundaries which increases when both milling time and boron composition increase. Finally Mn and B were added to samples of the Fe60Al40 system prepared by mechanical alloying during 12 and 24 hours. Mn content was fixed to 10 at.% and B content varied between 0 and 20 at.%, substituting Al. X-ray patterns show two crystalline phases, the ternary FeMnAl BCC phase, and a (Fe,Mn)2B phase type. The relative proportion of the last phase increases when the B content increases, in addition to changes of the grain size and the lattice parameter. Such behavior was observed for both milling periods. On the other hand, the magnetic hyperfine field distributions show that both phases exhibit chemical disorder, and that the contribution attributed to the grain boundaries is less important when the B content increases. Coercive field values of about 10(2) Oe slightly increase with boron content

  13. Magnetostrictive performance of additively manufactured CoFe rods using the LENSTM system

    Science.gov (United States)

    Jones, Nicholas J.; Yoo, Jin-Hyeong; Ott, Ryan T.; Lambert, Paul K.; Petculescu, Gabriela; Simsek, Emrah; Schlagel, Deborah; Lograsso, Thomas A.

    2018-05-01

    Magnetostrictive materials exhibit a strain in the presence of a variable magnetic field. While they normally require large, highly oriented crystallographic grains for high strain values, metal additive manufacturing (3D printing) may be able to produce highly textured polycrystalline rods, with properties comparable to those manufactured using the more demanding free standing zone melting (FSZM) technique. Rods of Co75.8Fe24.2 and Co63.7Fe36.3 have been fabricated using the Laser engineered net shaping (LENSTM) system to evaluate the performance of additively manufactured magnetic and magnetostrictive materials. The 76% Co sample showed an average magnetostriction (λ) of 86 ppm at a stress of 124 MPa; in contrast, the 64% Co sample showed only 27 ppm at the same stress. For direct comparison, a Co67Fe33 single crystal disk, also measured as part of this study, exhibited a magnetostriction value of 131 and 91 microstrain in the [100] and [111] directions, respectively, with a calculated polycrystalline value (λs) of 107 microstrain. Electron back scattered diffraction (EBSD) has been used to qualitatively link the performance with crystallographic orientation and phase information, showing only the BCC phase in the 76% Co sample, but three different phases (BCC, FCC, and HCP) in the 64% Co sample.

  14. Preparation and structural characterization of FeCo epitaxial thin films on insulating single-crystal substrates

    International Nuclear Information System (INIS)

    Nishiyama, Tsutomu; Ohtake, Mitsuru; Futamoto, Masaaki; Kirino, Fumiyoshi

    2010-01-01

    FeCo epitaxial films were prepared on MgO(111), SrTiO 3 (111), and Al 2 O 3 (0001) single-crystal substrates by ultrahigh vacuum molecular beam epitaxy. The effects of insulating substrate material on the film growth process and the structures were investigated. FeCo(110) bcc films grow on MgO substrates with two type domains, Nishiyama-Wassermann (NW) and Kurdjumov-Sachs (KS) relationships. On the contrary, FeCo films grown on SrTiO 3 and Al 2 O 3 substrates include FeCo(111) bcc crystal in addition to the FeCo(110) bcc crystals with NW and KS relationships. The FeCo(111) bcc crystal consists of two type domains whose orientations are rotated around the film normal by 180 deg. each other. The out-of-plane and the in-plane lattice spacings of FeCo(110) bcc and FeCo(111) bcc crystals formed on the insulating substrates are in agreement with those of the bulk Fe 50 Co 50 (at. %) crystal with small errors ranging between +0.2% and +0.4%, showing that the strains in the epitaxial films are very small.

  15. Indium-defect interactions in FCC and BCC metals studied using the modified embedded atom method

    Energy Technology Data Exchange (ETDEWEB)

    Zacate, M. O., E-mail: zacatem1@nku.edu [Northern Kentucky University, Department of Physics, Geology, and Engineering Technology (United States)

    2016-12-15

    With the aim of developing a transferable potential set capable of predicting defect formation, defect association, and diffusion properties in a wide range of intermetallic compounds, the present study was undertaken to test parameterization strategies for determining empirical pair-wise interaction parameters in the modified embedded atom method (MEAM) developed by Baskes and coworkers. This report focuses on indium-solute and indium-vacancy interactions in FCC and BCC metals, for which a large set of experimental data obtained from perturbed angular correlation measurements is available for comparison. Simulation results were found to be in good agreement with experimental values after model parameters had been adjusted to reproduce as best as possible the following two sets of quantities: (1) lattice parameters, formation enthalpies, and bulk moduli of hypothetical equiatomic compounds with the NaCl crystal structure determined using density functional theory and (2) dilute solution enthalpies in metals as predicted by Miedema’s semi-empirical model.

  16. Transonic twins in 3D bcc iron crystal

    Czech Academy of Sciences Publication Activity Database

    Spielmannová, Alena; Machová, Anna; Hora, Petr

    2010-01-01

    Roč. 48, č. 2 (2010), s. 296-302 ISSN 0927-0256 R&D Projects: GA AV ČR KJB200760802; GA ČR GA101/09/1630 Institutional research plan: CEZ:AV0Z20760514 Keywords : transonic twins * bcc iron * molecular dynamic simulation Subject RIV: JG - Metallurgy Impact factor: 1.458, year: 2010 http://apps.isiknowledge.com/full_record.do?product=WOS&search_mode=GeneralSearch&qid=3&SID=V1mj77dMKmjeKefm7Db&page=1&doc=1

  17. Microfluidic preparation of [{sup 18}F]FE-SUPPY and [{sup 18}F]FE-SUPPY:2 - comparison with conventional radiosyntheses

    Energy Technology Data Exchange (ETDEWEB)

    Ungersboeck, Johanna [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Department of Inorganic Chemistry, University of Vienna, A-1090 Vienna (Austria); Philippe, Cecile [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Department of Pharmaceutical Technology and Biopharmaceutics, University of Vienna, A-1090 Vienna (Austria); Mien, Leonhard-Key [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Haeusler, Daniela [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Department of Pharmaceutical Technology and Biopharmaceutics, University of Vienna, A-1090 Vienna (Austria); Shanab, Karem [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Department of Drug and Natural Product Synthesis, University of Vienna, A-1090 Vienna (Austria); Lanzenberger, Rupert [Department of Psychiatry and Psychotherapy, Medical University of Vienna, A-1090 Vienna (Austria); Spreitzer, Helmut [Department of Drug and Natural Product Synthesis, University of Vienna, A-1090 Vienna (Austria); Keppler, Bernhard K. [Department of Inorganic Chemistry, University of Vienna, A-1090 Vienna (Austria); Dudczak, Robert; Kletter, Kurt [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Mitterhauser, Markus [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Department of Pharmaceutical Technology and Biopharmaceutics, University of Vienna, A-1090 Vienna (Austria); Hospital Pharmacy, General Hospital of Vienna, A-1090 Vienna (Austria); Wadsak, Wolfgang, E-mail: wolfgang.wadsak@meduniwien.ac.a [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Department of Inorganic Chemistry, University of Vienna, A-1090 Vienna (Austria)

    2011-04-15

    Introduction: Recently, first applications of microfluidic principles for radiosyntheses of positron emission tomography compounds were presented, but direct comparisons with conventional methods were still missing. Therefore, our aims were (1) the set-up of a microfluidic procedure for the preparation of the recently developed adenosine A{sub 3}-receptor tracers [{sup 18}F]FE-SUPPY [5-(2-[{sup 18}F]fluoroethyl)2,4-diethyl-3-(ethylsulfanylcarbonyl) -6-phenylpyridine-5-carboxylate] and [{sup 18}F]FE-SUPPY:2 [5-ethyl-2,4-diethyl-3-((2-[{sup 18}F]fluoroethyl)sulfanylcarbonyl) -6-phenylpyridine-5-carboxylate] and (2) the direct comparison of reaction conditions and radiochemical yields of the no-carrier-added nucleophilic substitution with [{sup 18}F]fluoride between microfluidic and conventional methods. Methods: For the determination of optimal reaction conditions within an Advion NanoTek synthesizer, 5-50 {mu}l of precursor and dried [{sup 18}F]fluoride solution were simultaneously pushed through the temperature-controlled reactor (26{sup o}C-180{sup o}C) with defined reactant bolus flow rates (10-50 {mu}l/min). Radiochemical incorporation yields (RCIYs) and overall radiochemical yields for large-scale preparations were compared with data from conventional batch-mode syntheses. Results: Optimal reaction parameters for the microfluidic set-up were determined as follows: 170{sup o}C, 30-{mu}l/min pump rate per reactant (reaction overall flow rate of 60 {mu}l/min) and 5-mg/ml precursor concentration in the reaction mixture. Applying these optimized conditions, we observed a significant increase in RCIY from 88.2% to 94.1% (P<.0001, n{>=}11) for [{sup 18}F]FE-SUPPY and that from 42.5% to 95.5% (P<.0001, n{>=}5) for [{sup 18}F]FE-SUPPY:2 using microfluidic instead of conventional heating. Precursor consumption was decreased from 7.5 and 10 mg to 1 mg per large-scale synthesis for both title compounds, respectively. Conclusion: The direct comparison of radiosyntheses data

  18. Phonon density of states in nanocrystalline Fe

    Indian Academy of Sciences (India)

    Abstract. The Born–von Karman model is used to calculate phonon density of states (DOS) of nanocrystalline bcc Fe. It is found that there is an anisotropic stiffening in the interatomic force constants and hence there is shrinking in the nearest-neighbour distances in the nanophase. This leads to additional vibrational modes ...

  19. Comparison effects and electron spin resonance studies of α-Fe2O4 spinel type ferrite nanoparticles.

    Science.gov (United States)

    Bayrakdar, H; Yalçın, O; Cengiz, U; Özüm, S; Anigi, E; Topel, O

    2014-11-11

    α-Fe2O4 spinel type ferrite nanoparticles have been synthesized by cetyltrimethylammonium bromide (CTAB) and ethylenediaminetetraacetic acid (EDTA) assisted hydrothermal route by using NaOH solution. Electron spin resonance (ESR/EPR) measurements of α-Fe2O4 nanoparticles have been performed by a conventional x-band spectrometer at room temperature. The comparison effect of nanoparticles prepared by using CTAB and EDTA in different α-doping on the structural and morphological properties have been investigated in detail. The effect of EDTA-assisted synthesis for α-Fe2O4 nanoparticles are refined, and thus the spectroscopic g-factor are detected by using ESR signals. These samples can be considered as great benefits for magnetic recording media, electromagnetic and drug delivery applications. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. Compressibility of nanostructured Fe-Cu materials prepared by mechanical milling

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Olsen, J.S.; Gerward, Leif

    1999-01-01

    The compressibility of nanostructured Fe-Cu materials prepared by mechanical milling has been investigated by in-situ high-pressure x-ray diffraction using synchrotron radiation. It is found that the bulk modulus of both fcc-Cu and bcc-Fe phases decreases with decreasing grain sizes. The unstable...... ferromagnetic fcc-FeCu solid solution prepared by mechanical alloying has a bulk modulus of about 85 GPa, which is much smaller than the corresponding values for bulk fcc-Cu and bcc-Fe.......The compressibility of nanostructured Fe-Cu materials prepared by mechanical milling has been investigated by in-situ high-pressure x-ray diffraction using synchrotron radiation. It is found that the bulk modulus of both fcc-Cu and bcc-Fe phases decreases with decreasing grain sizes. The unstable...

  1. The role of edge dislocations in the deformation of BCC metals

    International Nuclear Information System (INIS)

    Lung, C.W.

    1994-08-01

    It was widely accepted that the screw dislocation is responsible for the strong temperature dependence of the yield stresses observed in bcc metals. In this paper, we show the role of edge dislocations in the deformation of bcc metals and point out that in some cases, its main contribution to the yield stress cannot be ignored. (author). 15 refs, 2 figs, 1 tab

  2. Towards true 3-dimensional BCC colloidal crystals with controlled lattice orientation

    NARCIS (Netherlands)

    Dziomkina, N.; Hempenius, Mark A.; Vancso, Gyula J.

    2009-01-01

    A fabrication method of colloidal crystals possessing the BCC crystal structure is described. BCC colloidal crystals with a thickness of up to seven colloidal layers were grown in the direction of the (100) crystal plane. Defect free colloidal crystals with a homogeneous surface coverage were

  3. SIMS as a new methodology to depth profile helium in as-implanted and annealed pure bcc metals?

    Science.gov (United States)

    Gorondy-Novak, S.; Jomard, F.; Prima, F.; Lefaix-Jeuland, H.

    2017-05-01

    Reliable He profiles are highly desirable for better understanding helium behavior in materials for future nuclear applications. Recently, Secondary Ions Mass Spectrometry (SIMS) allowed the characterization of helium distribution in as-implanted metallic systems. The Cs+ primary ion beam coupled with CsHe+ molecular detector appeared to be a promising technique which overcomes the very high He ionization potential. In this study, 4He depth profiles in pure body centered cubic (bcc) metals (V, Fe, Ta, Nb and Mo) as-implanted and annealed, were obtained by SIMS. All as-implanted samples exhibited a projected range of around 200 nm, in agreement with SRIM theoretical calculations. After annealing treatment, SIMS measurements evidenced the evolution of helium depth profile with temperature. The latter SIMS results were compared to the helium bubble distribution obtained by Transmission Electron Microscopy (TEM). This study confirmed the great potential of this experimental procedure as a He-depth profiling technique in bcc metals. Indeed, the methodology described in this work could be extended to other materials including metallic and non-metallic compounds. Nevertheless, the quantification of helium concentration after annealing treatment by SIMS remains uncertain probably due to the non-uniform ionization efficiency in samples containing large bubbles.

  4. SIMS as a new methodology to depth profile helium in as-implanted and annealed pure bcc metals?

    Energy Technology Data Exchange (ETDEWEB)

    Gorondy-Novak, S. [CEA, DEN, Service de Recherches de Métallurgie Physique, Université Paris-Saclay, F-91191 Gif-sur-Yvette (France); Jomard, F. [Groupe d' Etude de la Matière Condensée, CNRS, UVSQ, 45 avenue des Etats-Unis, 78035 Versailles cedex (France); Prima, F. [PSL Research University, Chimie ParisTech – CNRS, Institut de Recherche de Chimie Paris, 75005 Paris (France); Lefaix-Jeuland, H., E-mail: helene.lefaix@cea.fr [CEA, DEN, Service de Recherches de Métallurgie Physique, Université Paris-Saclay, F-91191 Gif-sur-Yvette (France)

    2017-05-01

    Reliable He profiles are highly desirable for better understanding helium behavior in materials for future nuclear applications. Recently, Secondary Ions Mass Spectrometry (SIMS) allowed the characterization of helium distribution in as-implanted metallic systems. The Cs{sup +} primary ion beam coupled with CsHe{sup +} molecular detector appeared to be a promising technique which overcomes the very high He ionization potential. In this study, {sup 4}He depth profiles in pure body centered cubic (bcc) metals (V, Fe, Ta, Nb and Mo) as-implanted and annealed, were obtained by SIMS. All as-implanted samples exhibited a projected range of around 200 nm, in agreement with SRIM theoretical calculations. After annealing treatment, SIMS measurements evidenced the evolution of helium depth profile with temperature. The latter SIMS results were compared to the helium bubble distribution obtained by Transmission Electron Microscopy (TEM). This study confirmed the great potential of this experimental procedure as a He-depth profiling technique in bcc metals. Indeed, the methodology described in this work could be extended to other materials including metallic and non-metallic compounds. Nevertheless, the quantification of helium concentration after annealing treatment by SIMS remains uncertain probably due to the non-uniform ionization efficiency in samples containing large bubbles.

  5. The incidence of metastatic basal cell carcinoma (mBCC) in Denmark, 1997-2010.

    Science.gov (United States)

    Nguyen-Nielsen, Mary; Wang, Lisa; Pedersen, Lars; Olesen, Anne Braae; Hou, Jeannie; Mackey, Howard; McCusker, Margaret; Basset-Seguin, Nicole; Fryzek, Jon; Vyberg, Mogens

    2015-01-01

    Few data exist on the occurrence of metastatic basal cell carcinoma (mBCC). To identify all cases of mBCC in Denmark over a 14-year period. We searched the Danish National Patient Registry covering all Danish hospitals, the Danish Cancer Registry, the National Pathology Registry and the Causes of Death Registry during the period 1997 to 2010 for potential cases of mBCC registered according to the International classification of diseases ICD-10 and the International Systemized Nomenclature of Medicine (SNOMED). We identified 126,627 patients with a history of primary basal cell carcinoma (BCC) in the registries during the 14-year study period. Using case identifications from the four registries, a total of 170 potential mBCC cases were identified. However, after a pathology review, only five cases could be confirmed, of which three were basosquamous carcinomas. The 14-year cumulative incidence proportion of mBCC was 0.0039% (95% CI 0.0016-0.0083) among individuals with a history of previous BCC (n = 126,627) and 0.0001% (95% CI 0.0000-0.0002) in the general population. MBCC is a rare disease and only a small proportion of potential cases identified in automated clinical databases or registries can be confirmed by pathology and medical record review.

  6. Tunneling-Magnetoresistance Ratio Comparison of MgO-Based Perpendicular-Magnetic-Tunneling-Junction Spin Valve Between Top and Bottom Co2Fe6B2 Free Layer Structure.

    Science.gov (United States)

    Lee, Du-Yeong; Lee, Seung-Eun; Shim, Tae-Hun; Park, Jea-Gun

    2016-12-01

    For the perpendicular-magnetic-tunneling-junction (p-MTJ) spin valve with a nanoscale-thick bottom Co2Fe6B2 free layer ex situ annealed at 400 °C, which has been used as a common p-MTJ structure, the Pt atoms of the Pt buffer layer diffused into the MgO tunneling barrier. This transformed the MgO tunneling barrier from a body-centered cubic (b.c.c) crystallized layer into a mixture of b.c.c, face-centered cubic, and amorphous layers and rapidly decreased the tunneling-magnetoresistance (TMR) ratio. The p-MTJ spin valve with a nanoscale-thick top Co2Fe6B2 free layer could prevent the Pt atoms diffusing into the MgO tunneling barrier during ex situ annealing at 400 °C because of non-necessity of a Pt buffer layer, demonstrating the TMR ratio of ~143 %.

  7. Dislocations and Plasticity in bcc Transition Metals at High Pressure

    Energy Technology Data Exchange (ETDEWEB)

    Yang, L H; Tang, M; Moriarty, J A

    2009-01-23

    Using first-principles electronic structure calculations, quantum-based atomistic simulations and atomistically informed dislocation dynamics (DD) simulations, we have studied individual dislocation behavior and the multiscale modeling of single-crystal plasticity in the prototype bcc transition metals Ta, Mo and V under both ambient and high pressure conditions. The primary focus in this work is on the pressure-dependent structure, mobility and interaction of a/2<111> screw dislocations, which dominate the plastic deformation properties of these materials. At the electronic scale, first-principles calculations of elasticity, ideal strength and generalized stacking fault energy surfaces have been used to validate quantum-based multi-ion interatomic potentials. At the atomistic scale, these potentials have been used in flexible Green's function boundary condition simulations to study the core structure, Peierls stress {tau}{sub P}, thermally activated kink-pair formation and mobility below {tau}{sub P}, and phonon-drag mobility above {tau}{sub P}. These results have then been distilled into analytic velocity laws and used directly in predictive microscale DD simulations of flow stress and resolved yield stress over wide ranges of pressure, temperature and strain rate.

  8. Hydrogen storage and electrochemical characteristics of Ti 0.32Cr 0.43 - XV 0.25Fe x (x = 0-0.08) alloys and its composites with LmNi 4.1Al 0.25Mn 0.3Co 0.65 alloy

    DEFF Research Database (Denmark)

    Park, Han Sol; Chourashiya, Muralidhar; Yang, Dong Cheol

    2012-01-01

    °C, attributed to the increased plateau pressure. On the other hand, at low temperatures, the discharge capacity of the Fe-doped composite alloys was higher than that of the un-doped alloy due to the catalytic effect of Fe. In addition, with increasing discharge rate, the Fe-doped composite alloys...... decreased and the plateau pressure increased due to the decreased lattice volume. In addition, the plateau pressure of the bcc alloys decreased with decrease in its temperature. The discharge capacity of the composite alloys of bcc and AB 5 alloy decreased with increasing Fe content in the bcc alloy at 25...

  9. comparison of elastic-plastic FE method and engineering method for RPV fracture mechanics analysis

    International Nuclear Information System (INIS)

    Sun Yingxue; Zheng Bin; Zhang Fenggang

    2009-01-01

    This paper described the FE analysis of elastic-plastic fracture mechanics for a crack in RPV belt line using ABAQUS code. It calculated and evaluated the stress intensity factor and J integral of crack under PTS transients. The result is also compared with that by engineering analysis method. It shows that the results using engineering analysis method is a little larger than the results using FE analysis of 3D elastic-plastic fracture mechanics, thus the engineering analysis method is conservative than the elastic-plastic fracture mechanics method. (authors)

  10. The application of photoelectron spectroscopy in the study of corrosion and oxidation mechanisms of alloys: Inconel 182, Fe/Cu(100 and U-Zr-Nb

    International Nuclear Information System (INIS)

    Mendonca, Renato de

    2011-05-01

    In. this work a study of the oxidation/corrosion process of three systems of metallic materials by Photoemission Spectroscopy is presented. In the first system, it was investigated the corrosion of Ineonel 182 at simulated Pressurized Water Reactor (PWR) environment. Samples with and without surface chemical treatment were exposed to the simulated environment for until 18 weeks. The oxide layer formed on the surfaces of the samples at different conditions was characterized by Scanning Electron Microscopy and XPS coupled with argon ion sputtering. The comparison between the oxide films grown on the samples showed that the oxide layer formed on the chemically treated sample is thinner and relatively Cr-rich. In second system it was studied the initial oxidation at room temperature of epitaxial films of Fe evapored on Cu (100). The films were deposited with two different thicknesses in order to get tbe fcc Fe (100) and bcc Fe (110) surfaces. The results, obtained by photoemission spectroscopy at the TEMPO beamline of the Synchrotron Soleil, showed the formation of distinct oxides films. The surfaces also presented different kinetics of oxidation and the (110) Fe-bcc showed highest reactivity. The analysis of the data indicated the Fe 1-x O formation on fcc Fe (100) and suggested the Fe 1-x O and FC 3 0 4 formation on (110) Fe-bcc surface. In the last system, it was investigated the initial oxidation of U-Zr-Nb alloys at room temperature. For this experiment, the alloys were exposed to oxygen in ultra high vacuum. The analysis of the U 4f peak showed the fast formation of U) 2 on the surfaces and similar kinetics of oxidation between the U and the U-Zr-Nb alloy. The alloying elements showed slower oxidation. The Zr 3d peak suggested the zr0 2 formation while the Nb 3d peak showed a remarkable enlargement that became necessary a deconvolution which indicated the formation ofNhO , Nb0 2 and N 2 0 5 . (author)

  11. Exchange interactions in the bcc Fe/TaW(001) system

    Czech Academy of Sciences Publication Activity Database

    Drchal, Václav; Ondráček, Martin; Kudrnovský, Josef; Bengone, O.; Turek, Ilja; Máca, František

    2010-01-01

    Roč. 8, - (2010), s. 157-160 ISSN 1348-0391 R&D Projects: GA ČR GA202/07/0456; GA AV ČR IAA100100616 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100521; CEZ:AV0Z20410507 Keywords : density functional calculations * surface electronic phenomena * iron * Ta-W alloy * magnetic films Subject RIV: BM - Solid Matter Physics ; Magnetism

  12. First principles calculation of anomalous Hall conductivity in ferromagnetic bcc Fe

    Czech Academy of Sciences Publication Activity Database

    Yao, Y.; Kleinman, L.; MacDonald, A. H.; Sinova, J.; Jungwirth, Tomáš; Wang, D. S.; Wang, E.; Niu, Q.

    2004-01-01

    Roč. 92, č. 3 (2004), 037204/1-037204/4 ISSN 0031-9007 R&D Projects: GA ČR GA202/02/0912 Institutional research plan: CEZ:AV0Z1010914 Keywords : transition metal ferromagnet * anomalous Hall effect Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.218, year: 2004

  13. Role of the Fe-zeolite structure and iron state in the N2O decomposition: Comparison of Fe-FER, Fe-BEA, and Fe-MFI catalysts

    Czech Academy of Sciences Publication Activity Database

    Jíša, Kamil; Nováková, Jana; Schwarze, Michael; Vondrová, Alena; Sklenák, Štěpán; Sobalík, Zdeněk

    2009-01-01

    Roč. 262, č. 1 (2009), s. 27-34 ISSN 0021-9517 R&D Projects: GA AV ČR 1ET400400413; GA AV ČR 1QS400400560 Institutional research plan: CEZ:AV0Z40400503 Keywords : Fe in FER * BEA a MFI * N2O decomposition Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.288, year: 2009

  14. Epitaxial growth of bcc-FexCo100-x thin films on MgO(1 1 0) single-crystal substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Nishiyama, Tsutomu; Shikada, Kouhei; Kirino, Fumiyoshi; Futamoto, Masaaki

    2010-01-01

    Fe x Co 100-x (x=100, 65, 50 at%) epitaxial thin films were prepared on MgO(1 1 0) single-crystal substrates heated at 300 deg. C by ultra-high vacuum molecular beam epitaxy. The film structure and the growth mechanism are discussed. FeCo(2 1 1) films with bcc structure grow epitaxially on MgO(1 1 0) substrates with two types of variants whose orientations are rotated around the film normal by 180 deg. each other for all compositions. Fe x Co 100-x film growth follows the Volmer Weber mode. X-ray diffraction analysis indicates the out-of-plane and the in-plane lattice spacings are in agreement with the values of respective bulk Fe x Co 100-x crystals with very small errors less than ±0.4%, suggesting the strains in the films are very small. High-resolution cross-sectional transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the film at the Fe 50 Co 50 /MgO interface along the MgO[1 1-bar 0] direction. The presence of such periodical dislocations decreases the large lattice mismatch of about -17% existing at the FeCo/MgO interface along the MgO[1 1-bar 0] direction.

  15. Comparison of observed and theoretical Fe L emission from CIE plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Carpenter, M; Beiersdorfer, P; Brown, G V; Chen, H C; Gu, M F; Jernigan, J G

    2007-11-08

    We analyze data from the Lawrence Livermore National Lab (LLNL) Electron Beam Ion Trap (EBIT) that simulates a CIE plasma by sweeping the electron beam to approximate a Maxwellian velocity distribution. These results are compared to spectra of confirmed astronomical CIE plasmas (e.g. outer regions of x-ray clusters) observed by XMM/RGS. We utilize the Photon Clean Method (PCM) to quantify these spectra (EBIT and XMM/RGS) in the form of ratios of Fe L lines in the emission complex near 1 keV. The variances of line fluxes are measured with bootstrap methods (Efron 1979). Both of these observations are further compared with theoretical predictions of Fe L line fluxes from APED and similar atomic databases.

  16. Charged FeCn clusters: A comparison with TMCn+/TMCn- (TM = Sc, Ti, V, Co and Zn, n = 1-8) systems

    International Nuclear Information System (INIS)

    Redondo, Pilar; Largo, Laura; Barrientos, Carmen

    2009-01-01

    The electronic and geometrical structures of the ground and excited states for the linear, fan and cyclic isomers of FeC n + andFeC n - (n = 1-8) compounds are calculated using the B3LYP method. A comparison of these results with the previously obtained for TMC n + /TMC n - (TM = Sc, Ti, V, Co and Zn) systems, is carried out. Quartet and sextet states are found the most stables for FeC n + clusters. Linear FeC n - clusters prefer doublet and quartet ground states, whereas for cyclic and fan isomers the most stables are quartet and sextet ones. n-odd linear, fan, and cyclic FeC n + isomers are more stable than adjacent n-even ones. For FeC n - clusters the opposite trend is found for linear and fan structures, whereas for cyclic isomers the relative stability decreases along the series. In general linear isomers are the most stable conformations for FeC n + /FeC n - clusters. Systematic trends of different properties are analyzed for TMC n + /TMC n - clusters.

  17. Time evolution of morphology in mechanically alloyed Fe-Cu

    KAUST Repository

    Wille, Catharina Gabriele

    2011-05-01

    Being widely accessible as well as already utilised in many applications, Fe-Cu acts as an ideal binary model alloy to elaborate the enforced nonequilibrium enhanced solubility in such a solution system that shows a limited regime of miscibility and characterised by a large positive heat of mixing. In addition to the detailed analysis of ball milled Fe-Cu powders by means of Atom Probe Tomography (APT), site specific structural analysis has been performed in this study using Transmission Electron Microscopy (TEM).In this contribution results on powders with low Cu concentrations (2.5-10 at%) are presented. Combining a ductile element (Cu, fcc) and a brittle one (Fe, bcc), striking differences in morphology were expected and found on all length-scales, depending on the mixing ratio of the two elements. However, not only could the atomic mixing of Fe and Cu be evaluated, but also the distribution of impurities, mostly stemming from the fabrication procedure. The combination of APT and TEM enables a correlation between the structural evolution and the chemical mixing during the milling process. For the first time, a clear distinction can be drawn between the morphological evolution at the surface and in the interior of the powder particles. This became possible owing to the site specific sample preparation of TEM lamellae by Focussed Ion Beam (FIB). Surprisingly, the texture arising from the ball milling process can directly be related to the classical rolling texture of cold rolled Fe. In addition, full homogeneity can be achieved even on the nano-scale for this material as shown by APT, resulting in an extended miscibility region in comparison to the equilibrium phase diagram. Grain sizes were determined by means of XRD and TEM. The strain corrected XRD results are in very good agreement with the values derived by TEM, both confirming a truly nanocrystalline structure. © 2011 Elsevier B.V.

  18. Biological changes of APA-BCC analgesic microcapsule in cerebrospinal fluid of patients with carcinomatous pain

    International Nuclear Information System (INIS)

    Luo Yun; Li Yanling; Xue Yilong; Guo Shulong; Gao Yuhong; Cui Xin

    2005-01-01

    To explore the changes of alginate-polylysine-alginate microcapsulated bovine adrenal medullary chromaffin cells (APA-BCC microcapsules) in morphology, survival rate and leucine- enkephalin secretion after they were transplanted into CSF of cancerpain patients, the APA- BCC microcapsules were Implanted into cavitas subarachnoidealis of cancer-pain patients by conventional lumbar puncture. After 7 or 8 days, cerebrospinal fluid was collected and the morphology of the APA-BCC microcapsule, the survival rate of cells were observed and secretory volume of leucine-enkephalin was assayed by radioimmunity method. Seven days after trans- plantation, the mean VAS decreased from 8.8 to 2.4, the survival rate of cells averagely reduced from 91.2% to 89.1%, morphology of APA-BCC microcapsules did not change obviously and secretory volume of leucine-enkephalin went up 1.65 times compared with that at pretrans- plantation. In conclusion, APA-BCC can survive, secret leucine-enkephalin and produce analgesic effect after transplanted into CSF of cancer-patients. (authors)

  19. Comparison of subset-based local and FE-based global digital image correlation: Theoretical error analysis and validation

    KAUST Repository

    Pan, B.

    2016-03-22

    Subset-based local and finite-element-based (FE-based) global digital image correlation (DIC) approaches are the two primary image matching algorithms widely used for full-field displacement mapping. Very recently, the performances of these different DIC approaches have been experimentally investigated using numerical and real-world experimental tests. The results have shown that in typical cases, where the subset (element) size is no less than a few pixels and the local deformation within a subset (element) can be well approximated by the adopted shape functions, the subset-based local DIC outperforms FE-based global DIC approaches because the former provides slightly smaller root-mean-square errors and offers much higher computation efficiency. Here we investigate the theoretical origin and lay a solid theoretical basis for the previous comparison. We assume that systematic errors due to imperfect intensity interpolation and undermatched shape functions are negligibly small, and perform a theoretical analysis of the random errors or standard deviation (SD) errors in the displacements measured by two local DIC approaches (i.e., a subset-based local DIC and an element-based local DIC) and two FE-based global DIC approaches (i.e., Q4-DIC and Q8-DIC). The equations that govern the random errors in the displacements measured by these local and global DIC approaches are theoretically derived. The correctness of the theoretically predicted SD errors is validated through numerical translation tests under various noise levels. We demonstrate that the SD errors induced by the Q4-element-based local DIC, the global Q4-DIC and the global Q8-DIC are 4, 1.8-2.2 and 1.2-1.6 times greater, respectively, than that associated with the subset-based local DIC, which is consistent with our conclusions from previous work. © 2016 Elsevier Ltd. All rights reserved.

  20. Microstructure and Room-Temperature Mechanical Properties of FeCrMoVTi x High-Entropy Alloys

    Science.gov (United States)

    Guo, Jun; Huang, Xuefei; Huang, Weigang

    2017-07-01

    FeCrMoVTi x ( x values represent the molar ratio, where x = 0, 0.5, 1.0, 1.5, and 2.0) high-entropy alloys were prepared by a vacuum arc melting method. The effects of Ti element on the microstructure and room-temperature mechanical properties of the as-cast FeCrMoVTi x alloys were investigated. The results show that the prepared alloys exhibited typical dendritic microstructure and the size of the microstructure became fine with increasing Ti content. The FeCrMoV alloy exhibited a single body-centered cubic structure (BCC1) and the alloys prepared with Ti element exhibited BCC1 + BCC2 mixed structure. The new BCC2 phase is considered as (Fe, Ti)-rich phase and was distributed in the dendrite region. With the increase of Ti content, the volume fraction of the BCC2 phase increased and its shape changed from a long strip to a network. For the FeCrMoV alloy, the fracture strength, plastic strain, and hardness reached as high as 2231 MPa, 28.2%, and 720 HV, respectively. The maximum hardness of 887 HV was obtained in the FeCrMoVTi alloy. However, the fracture strength, yield stress, and plastic strain of the alloys decreased continuously as Ti content increased. In the room-temperature compressive test, the alloys showed typical brittle fracture characteristics.

  1. Comparison of the ICRP and MIRD models for Fe metabolism in man

    International Nuclear Information System (INIS)

    Johnson, J.R.; Dunford, D.W.

    1985-01-01

    A task group of the Medical Internal Radiation Dose (MIRD) Committee has recently published a model of Fe metabolism in man. This model was developed to calculate doses from radioiron injected for medical diagnostic purposes. It is a compartment model with recirculating Fe exchanging between plasma and extracellular fluids, tissue storage compartments, bone marrow and red blood cells (RBC). By contrast, the International Commission on Radiological Protection (ICRP) model is a once through first order compartment model, with the compartments represented by organs rather than physiological compartments as in the MIRD model. The results of calculations using these models have been compared to see if the much less sophisticated ICRP model was adequate for radiation protection purposes. It was found that the effective dose per unit intake of radioiron was higher for the MIRD model and urinary excretion rates following an exposure were considerably different. It is concluded that the ICRP model should not be used in dosimetry calculations, or for comparing monitoring results to model calculations

  2. Comparison of metals extractability from Al/Fe-based drinking water treatment residuals.

    Science.gov (United States)

    Wang, Changhui; Bai, Leilei; Pei, Yuansheng; Wendling, Laura A

    2014-12-01

    Recycling of drinking water treatment residuals (WTRs) as environment amendments has attracted substantial interest due to their productive reuse concomitant with waste minimization. In the present study, the extractability of metals within six Al/Fe-hydroxide-comprised WTRs collected throughout China was investigated using fractionation, in vitro digestion and the toxicity characteristic leaching procedure (TCLP). The results suggested that the major components and structure of the WTRs investigated were similar. The WTRs were enriched in Al, Fe, Ca, and Mg, also contained varying quantities of As, Ba, Be, Cd, Co, Cr, Cu, K, Mn, Mo, Na, Ni, Pb, Sr, V, and Zn, but Ag, Hg, Sb, and Se were not detected. Most of the metals within the WTRs were largely non-extractable using the European Community Bureau of Reference (BCR) procedure, but many metals exhibited high bioaccessibility based on in vitro digestion. However, the WTRs could be classified as non-hazardous according to the TCLP assessment method used by the US Environmental Protection Agency (USEPA). Further analysis showed the communication factor, which is calculated as the ratio of total extractable metal by BCR procedure to the total metal, for most metals in the six WTRs, was similar, whereas the factor for Ba, Mn, Sr, and Zn varied substantially. Moreover, metals in the WTRs investigated had different risk assessment code. In summary, recycling of WTRs is subject to regulation based on assessment of risk due to metals prior to practical application.

  3. The heterogeneous multiscale finite element method for the homogenization of linear elastic solids and a comparison with the FE 2 method

    Science.gov (United States)

    Eidel, Bernhard; Fischer, Andreas

    2018-02-01

    The Heterogeneous Multiscale Finite Element Method (FE-HMM) is a two-scale FEM based on asymptotic homogenization for solving multiscale partial differential equations. It was introduced in [W. E and B. Engquist, \\emph{Commun. Math. Sci.}, 1 (2003), 87--132]. The objective of the present work is an FE-HMM formulation for the homogenization of linear elastic solids in a geometrical linear frame, and doing so, for the first time, of a vector-valued field problem. A key ingredient of FE-HMM is that macrostiffness is estimated by stiffness sampling on heterogeneous microdomains in terms a of modified quadrature formula, which implies an equivalence of energy densities of the microscale with the macroscale. Beyond this coincidence with the Hill-Mandel macrohomogeneity condition, which is the cornerstone of the FE$^2$ method, we elaborate a conceptual comparison with the latter method. After developing an algorithmic framework we (i) assess the existing a priori convergence estimates for the micro- and macro-errors in various norms, (ii) verify optimal strategies in uniform micro-macro mesh refinements based on the estimates, (iii) analyze superconvergence properties of FE-HMM, and (iv) compare the numerical results of FE-HMM with those of FE$^2$.

  4. Comparison of Interfacial Electron Transfer Efficiency in [Fe(ctpy)2]2+-TiO2 and [Fe(cCNC)2]2+-TiO2 Assemblies: Importance of Conformational Sampling.

    Science.gov (United States)

    Mukherjee, Sriparna; Liu, Chang; Jakubikova, Elena

    2018-02-22

    Fe(II)-polypyridines have limited applications as chromophores in dye-sensitized solar cells due to the short lifetimes (∼100 fs) of their photoactive metal-to-ligand charge transfer (MLCT) states formed upon photoexcitation. Recently, a 100-fold increase in the MLCT lifetime was observed in a [Fe(CNC) 2 ] 2+ complex (CNC = 2,6-bis(3-methylimidazole-1-ylidine)pyridine) which has strong σ-donating N-heterocyclic carbene ligand in comparison to the weaker field parent [Fe(tpy) 2 ] 2+ complex (tpy = 2,2':6',2″-terpyridine). This study utilizes density functional theory (DFT), time-dependent DFT, and quantum dynamics simulations to investigate the interfacial electron transfer (IET) in [Fe(cCNC) 2 ] 2+ (cCNC = 4'-carboxy-2,6-bis(3-methylimidazole-1-ylidine)pyridine) and [Fe(ctpy) 2 ] 2+ (ctpy = 4'-carboxy-2,2':6',2″-terpyridine) sensitized TiO 2 . Our results suggest that the replacement of tpy by CNC ligand does not significantly speed up the IET kinetics in the [Fe(cCNC) 2 ] 2+ -TiO 2 assembly in comparison to the [Fe(ctpy) 2 ] 2+ -TiO 2 analogue. The high IET efficiency in the [Fe(cCNC) 2 ] 2+ -TiO 2 assemblies is therefore due to longer lifetime of [Fe(cCNC) 2 ] 2+ photoactive 3 MLCT states rather than faster electron injection kinetics. It was also found that the inclusion of conformational sampling in the computational model is important for proper description of the IET processes in these systems, as the models relying on the use of only fully optimized structures may yield misleading results. The simulations presented in this work also illustrate various pitfalls of utilizing properties such as electronic coupling, number of available acceptor states, and driving force, as well as calculations based on Fermi's golden rule framework, to reach conclusions on the IET efficiency in dye-semiconductor systems.

  5. Comparison of catalytic hydroliquefaction of Xiaolongtan lignite over FeS, FeS+S and SO{sub 4}{sup 2-}/ZrO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Kang, S.G.; Zong, Z.M.; Shui, H.F.; Wang, Z.C.; Wei, X.Y. [China University of Mining & Technology, Xuzhou (China)

    2011-01-15

    The catalytic hydroliquefaction of Xiaolongtan lignite (XL, a Chinese lignite) was investigated in a batch autoclave. The effects of reaction temperature, time and initial H{sub 2} pressure on the yields of gaseous and extractable portions (GEPs) were discussed. The catalytic activity of FeS+S was compared with that of FeS and SO{sub 4}{sup 2-}/ZrO{sub 2}, respectively. The results show that FeS+S is more active for XL hydroliquefaction than the other two catalysts and affords the highest gas and oil (G & O) yields in the three catalysts. The highest total yield of GEPs from XL hydroliquefaction gets to 90.0%, while total yield of G & O is 61.1% at 420 {sup o}C for 30 min over FeS+S. The assistant catalysis of the added sulfur was discussed. The structural features of asphaltenes and preasphaltenes were examined by elemental and FTIR analyses.

  6. Anisotropy effects in magnetic hyperthermia: A comparison between spherical and cubic exchange-coupled FeO/Fe{sub 3}O{sub 4} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Khurshid, H., E-mail: khurshid@usf.edu, E-mail: sharihar@usf.edu; Nemati, Z.; Phan, M. H.; Mukherjee, P.; Srikanth, H., E-mail: khurshid@usf.edu, E-mail: sharihar@usf.edu [Department of Physics, University of South Florida, Tampa, Florida 33620 (United States); Alonso, J. [Department of Physics, University of South Florida, Tampa, Florida 33620 (United States); BCMaterials Edificio No. 500, Parque Tecnológico de Vizcaya, Derio 48160 (Spain); Fdez-Gubieda, M. L.; Barandiarán, J. M. [BCMaterials Edificio No. 500, Parque Tecnológico de Vizcaya, Derio 48160 (Spain); Depto. Electricidad y Electrónica, Universidad del País Vasco, Leioa 48940 (Spain)

    2015-05-07

    Spherical and cubic exchange-coupled FeO/Fe{sub 3}O{sub 4} nanoparticles, with different FeO:Fe{sub 3}O{sub 4} ratios, have been prepared by a thermal decomposition method to probe anisotropy effects on their heating efficiency. X-ray diffraction and transmission electron microscopy reveal that the nanoparticles are composed of FeO and Fe{sub 3}O{sub 4} phases, with an average size of ∼20 nm. Magnetometry and transverse susceptibility measurements show that the effective anisotropy field is 1.5 times larger for the cubes than for the spheres, while the saturation magnetization is 1.5 times larger for the spheres than for the cubes. Hyperthermia experiments evidence higher values of the specific absorption rate (SAR) for the cubes as compared to the spheres (200 vs. 135 W/g at 600 Oe and 310 kHz). These observations point to an important fact that the saturation magnetization is not a sole factor in determining the SAR and the heating efficiency of the magnetic nanoparticles can be improved by tuning their effective anisotropy.

  7. F.E. analysis of seismic isolators: comparison with experimental results

    International Nuclear Information System (INIS)

    Fuller, K.N.G.; Gough, J.; Ahmadi, H.R.

    1998-01-01

    Analysis of seismic isolators is performed by the ABAQUS code. The force deformation behaviour of a circular layer of rubber bonded to rigid surface was investigated. This model is chosen because of its simplicity and the relatively short processing time required. A 3-dimensional model was used for finite element calculations. Comparison of calculated values with experimental results is shown

  8. Preparation of metastable bcc permalloy epitaxial thin films on GaAs(011)B3 single-crystal substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Higuchi, Jumpei; Yabuhara, Osamu; Kirino, Fumiyoshi; Futamoto, Masaaki

    2011-01-01

    Permalloy (Py) single-crystal films with bcc structure were obtained on GaAs(011) B3 single-crystal substrates by ultra high vacuum rf magnetron sputtering. The film growth and the detailed film structures were investigated by refection high energy electron diffraction and pole figure X-ray diffraction. bcc-Py films epitaxially grow on the substrates in the orientation relationship of Py(011)[011-bar] bcc || GaAs(011)[011-bar] B3 . The lattice constant of bcc-Py film is determined to be a = 0.291 nm. With increasing the film thickness, parts of the bcc crystal transform into more stable fcc structure by atomic displacement parallel to the bcc{011} close-packed planes. The resulting film thus consists of a mixture of bcc and fcc crystals. The phase transformation mechanism is discussed based on the experimental results. The in-plane magnetization properties reflecting the magnetocrystalline anisotropy of bcc-Py crystal are observed for the Py films grown on GaAs(011) B3 substrates.

  9. A comparison of Fe 4 S 4 clusters in high-potential iron protein and in ferredoxin.

    Science.gov (United States)

    Carter, C W; Kraut, J; Freer, S T; Alden, R A; Sieker, L C; Adman, E; Jensen, L H

    1972-12-01

    The structures of both oxidized (HP(ox)) and reduced (HP(red)) high-potential iron protein and of oxidized ferredoxin (Fd(ox)) have been partially refined at 2.0-A resolution by methods similar to those applied to the protein rubredoxin [Watenpaugh, K. D., Sieker, L. C., Herriott, J. R. & Jensen, L. H. (1971) Cold Spring Harbor Symp. Quant. Biol. 36, 359-367]. Average bond lengths and angles in the HP(red) and Fd(ox) Fe(4)S(4) (*) clusters are the same to within the root-mean square (rms) deviation of each mean value. A preliminary comparison of the two HiPIP oxidation states indicates that the HP(ox) cluster is geometrically similar to the HP(red) cluster, but that it is smaller by 0.1-0.2 A in certain dimensions. The HiPIP and ferredoxin cluster geometry is also nearly identical to that reported recently for a synthetic analog [Herskovitz, T., Averill, B. A., Holm, R. A., Ibers, J. A., Phillips, W. D. & Weither, J. F. (1972) Proc. Nat. Acad. Sci. USA 69, 2437-2441]. An apparent paradox presented by the large difference between the HiPIP and ferredoxin electrode potentials can be resolved by the assumption that the Fe(4)S(4) (*) cluster has not two but three oxidation states. The fully oxidized (HP(ox)) and fully reduced (Fd(red)) clusters are paramagnetic, and the intermediate state is spin-paired [Tsibris, J. C. M. and Woody, R. W. (1970) Coord. Chem. Rev. 5, 417-458]. This hypothesis is supported by structural and spectroscopic evidence that the "paired-spin" state exists in both HP(red) and Fd(ox).

  10. Investigation of irradiation strengthening of bcc metals and their alloys. Progress report, January 1977--October 1977

    International Nuclear Information System (INIS)

    1977-01-01

    Progress is reported in the areas of (a) the effect of neutron damage on the dislocation kinetics in bcc metals and their alloys, and (b) the effect of 3 He on the deformation characteristics of body centered cubic metals and their alloys. Results obtained from these projects are discussed

  11. Determination of positions and curved transition pathways of screw dislocations in BCC crystals from atomic displacements

    Czech Academy of Sciences Publication Activity Database

    Gröger, Roman; Vítek, V.

    2015-01-01

    Roč. 643, SEP (2015), s. 203-210 ISSN 0921-5093 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68081723 Keywords : Screw dislocation * BCC metal * Dislocation pathway Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.647, year: 2015

  12. First-principles study of ternary bcc alloys using special quasi-random structures

    International Nuclear Information System (INIS)

    Jiang Chao

    2009-01-01

    Using a combination of exhaustive enumeration and Monte Carlo simulated annealing, we have developed special quasi-random structures (SQSs) for ternary body-centered cubic (bcc) alloys with compositions of A 1 B 1 C 1 , A 2 B 1 C 1 , A 6 B 1 C 1 and A 2 B 3 C 3 , respectively. The structures possess local pair and multisite correlation functions that closely mimic those of the random bcc alloy. We employed the SQSs to predict the mixing enthalpies, nearest neighbor bond length distributions and electronic density of states of bcc Mo-Nb-Ta and Mo-Nb-V solid solutions. Our convergence tests indicate that even small-sized SQSs can give reliable results. Based on the SQS energetics, the predicting powers of the existing empirical ternary extrapolation models were assessed. The present results suggest that it is important to take into account the ternary interaction parameter in order to accurately describe the thermodynamic behaviors of ternary alloys. The proposed SQSs are quite general and can be applied to other ternary bcc alloys.

  13. Solubility of hydrogen and deuterium in bcc-uranium-titanium alloys

    International Nuclear Information System (INIS)

    Powell, G.L.; Kirkpatrick, J.R.

    1996-01-01

    For the bcc-U-Ti alloy system, H and D solubility measurements have been made on 12 alloy specimens ranging in composition from pure U to pure Ti and temperature range bounded by 900 K to 1,500 K. The results are described by a model within a standard error of 3%

  14. Positron studies of interaction between yttrium atoms and vacancies in bcc iron with relevance for ODS nanoparticles formation

    Energy Technology Data Exchange (ETDEWEB)

    He, C.W., E-mail: chenwei.he@cnrs-orleans.fr [CNRS, CEMHTI UPR3079, Univ. Orléans, F-45071 Orléans (France); Barthe, M.F.; Desgardin, P. [CNRS, CEMHTI UPR3079, Univ. Orléans, F-45071 Orléans (France); Akhmadaliev, S. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, BautznerLandstr. 400, D-01328 Dresden (Germany); Behar, M. [Instituto de Fisica, Av. Bento Gonçalves 9500, Agronomia, Porto Alegre (Brazil); Jomard, F. [GEMac, Univ. Versailles, 45 avenue des Etats Unis, 78035 Versailles cedex (France)

    2014-12-15

    The very high calculated binding energy of vacancy (V)–Y{sub sub} (1.45 eV) in Fe makes it be one possible earliest formation stage of (Y, Ti, O) nanoclusters in ODS alloy. Our direct slow positrons annihilation observations are used to valid the interaction between V and Y. The pure bcc iron samples have been implanted by 1.2 MeV Y ions at three fluences from 1 × 10{sup 14} to 3 × 10{sup 15} cm{sup −2}. Vacancy clusters are observed for all these three fluences. Their size and concentration decrease with Y concentration measured by using SIMS. Two hypotheses are proposed to explain the results, including the formation of complexes V{sub m}–Y{sub n} and/or of precipitates Y{sub m}–X{sub n} (X = Y, O, etc.). In addition, vacancy clusters are detected deeper than predicted by SRIM calculation due to, at least for a part, channelling which is confirmed by Marlowe calculation and SIMS measurements.

  15. Dynamic characteristics of a WPC—comparison of transfer matrix method and FE method

    Science.gov (United States)

    Chen, Guo-Long; Nie, Wu

    2003-12-01

    To find the difference in dynamic characteristics between conventional monohull ship and wave penetrating catamaran (WPC), a WPC was taken as an object; its dynamic characteristics were computed by transfer matrix method and finite element method respectively. According to the comparison of the nature frequency results and mode shape results, the fact that FEM method is more suitable to dynamic characteristics analysis of a WPC was pointed out, special features on dynamic characteristics of WPC were given, and some beneficial suggestions are proposed to optimize the strength of a WPC in design period.

  16. High Temperature Magneto-Elastic Instability of Dislocations in bcc Iron

    International Nuclear Information System (INIS)

    Dudarev, S.; Bullough, R.; Gilbert, M.; Derlet, P.

    2007-01-01

    Full text of publication follows: Density functional calculations show that the low temperature structure of self-interstitial defects in iron is fundamentally different from the structure of self-interstitial defects in all the other bcc metals. The origin of this anomaly is associated with the magnetic part of the cohesive energy of iron, where the Stoner exchange term stabilizes the body centred cubic phase, and where the magnetic part of energy is strongly affected by the large strain associated with the core region of an interstitial defect. At elevated temperatures magnetic excitations erode the stability of the bcc phase, giving rise to the gradual softening of the 110 transverse acoustic phonon modes and to the α-γ bcc-fcc martensitic phase transition occurring at 912 deg. C at normal pressure. Elastic moduli of bcc iron vary as a function of temperature with c' = (C 11 - c 12 )/2 vanishing at the α-γ transition point. This has significant effects on the magnitude of both the elastic interactions between dislocations and other defects in the material and on the intrinsic structural stability of the dislocations and other defects themselves. To evaluate structural stability of defects at elevated temperatures we investigate elastic self-energies of dislocations in the continuum anisotropic elasticity approximation. We also develop atomistic models of dislocations and point defects based on a generalised form of the magnetic potential. By varying the magnetic part of the potential we are able to reproduce the experimentally observed variation of elastic moduli as a function of temperature, and assess relative stability of various types of defect structures. Our analysis shows that, in complete contrast to other straight dislocations, the elastic self-energy of straight 100 edge dislocations actually sharply decreases as we approach the α-γ transition, indicating that this surprising fact is a probable explanation of the frequent observation of the 100

  17. In vivo assessment of optical properties of basal cell carcinoma and differentiation of BCC subtypes by high-definition optical coherence tomography

    DEFF Research Database (Denmark)

    Boone, Marc; Suppa, Mariano; Miyamoto, Makiko

    2016-01-01

    High-definition optical coherence tomography (HD-OCT) features of basal cell carcinoma (BCC) have recently been defined. We assessed in vivo optical properties (IV-OP) of BCC, by HD-OCT. Moreover their critical values for BCC subtype differentiation were determined. The technique of semi-log plot...

  18. The microstructure, high performance magnetic hardness and magnetic after-effect of an alpha- FeCo/Pr(2)Fe(14)B nanocomposite magnet with low Pr concentration.

    Science.gov (United States)

    Ngo, Duc-The; Duong, Hong-Gam; Nguyen, Hoang-Hai; Nguyen, Chau; Basith, Mohammed; Hoang, Duc-Quang

    2009-04-22

    In this paper, a systematic investigation of the microstructure, high performance magnetic hardness as well as novel magnetic memory effect of the Pr(4)Fe(76)Co(10)B(6)Nb(3)Cu(1) nanocomposite magnet fabricated by conventional melt-spinning followed by annealing at temperatures ranging from 600 to 700 degrees C in Ar gas for nanocrystallization are presented and discussed. Transmission electron microscopy (TEM) observation confirms an ultrafine structure of bcc-Fe(Co) as a magnetically soft phase and Pr(2)Fe(14)B as a hard magnetic phase with a spring-exchange coupling in order to form the nanocomposite state. Electron diffraction analysis also indicates that the Co atoms together with Fe atoms form the Fe(70)Co(30) phase with a very high magnetic moment (2.5 mu(B)), leading to a high saturation magnetization of the system. High magnetic hardness is obtained in the optimally heat-treated specimen with coercivity H(c) = 3.8 kOe, remanence B(r) = 12.0 kG, M(r)/M(s) = 0.81 and maximum energy product (BH)(max) = 17.8 MG Oe, which is about a 25% improvement in comparison with recent results for similar compositions. High remanence and reduced remanence are the key factors in obtaining the high performance with low rare-earth concentration (only 4 at.%). High-resolution TEM analysis shows that there is a small amount of residual amorphous phase in the grain boundary, which plays a role of interphase to improve the exchange coupling. Otherwise, in terms of magnetic after-effect measurement, a magnetic memory effect was observed for the first time in an exchange-coupled hard magnet.

  19. Heat treatment influence on the structural and magnetic properties of the intermetallic Fe56.25Al43.75 alloy prepared by mechanical alloying and arc-melted

    Science.gov (United States)

    Trujillo Hernández, J. S.; Tabares, J. A.; Pérez Alcázar, G. A.

    2014-04-01

    Alloys of the Fe56.25Al43.75 system were prepared by mechanical alloying (MA) using a high energy planetary ball mill, with milling times in the range from 12 up to 96 h named MA0 samples. The sample milled for 48 hours was heat treated at 700 °C for 9 days. Then this sample was milled for times of 1, 4, 8, 12, 24, and 48 h, named MA1 samples. Additionally, and for comparison, it was prepared a Fe56.25Al43.75 sample by arc-melting method. For all samples, the structural and magnetic study was conducted by X-rays diffraction (XRD) and Mössbauer spectrometry (MS). The XRD results show that the system is nanostructured and the MA0 samples present only the BCC disordered phase, whose lattice parameter remains relatively constant with milling time. For MA1 samples it was identify the FeAl, Fe3Al, FeO and α-Fe phases. The Mössbauer spectra for all samples were fitted by using a hyperfine magnetic field distribution (HMFD), and a paramagnetic site for all the times used here. The ferromagnetism increases when milling time increases, and this is a consequence of the structural disorder induced by mechanical alloying.

  20. Formation of ball-milled Fe-Mo nanostructured powders

    Energy Technology Data Exchange (ETDEWEB)

    Moumeni, H. [Laboratoire de Magnetisme et de Spectroscopie des Solides, LM2S, Departement de Physique, Faculte des Sciences, Universite de Annaba, B.P. 12, 23000 Annaba-Algerie (Algeria) and Departement de Physique, Faculte des Sciences et de l' Ingenierie, Universite de Guelma, B.P. 401, 24000 Guelma-Algerie (Algeria)]. E-mail: hmoumeni@yahoo.fr; Alleg, S. [Laboratoire de Magnetisme et de Spectroscopie des Solides, LM2S, Departement de Physique, Faculte des Sciences, Universite de Annaba, B.P. 12, 23000 Annaba-Algerie (Algeria); Greneche, J.M. [Laboratoire de Physique de l' Etat Condense, UMR CNRS 6087, Universite du Maine, Faculte des Sciences, F-72085, Le Mans Cedex 9 (France)

    2006-08-10

    Nanostructured Fe-6 wt.%Mo powders were prepared by mechanical alloying in a high-energy planetary ball-mill. The structural changes and the kinetics of Mo dissolution were studied by using X-ray diffraction. The crystallite size reduction down to about 11 nm is accompanied by the introduction of internal strains up to 1.1% (root-mean square strain, rms). After 24 h of milling, a bcc Fe(Mo) solid solution is formed. The kinetics of Mo dissolution into the Fe matrix during the milling process can be described by two regimes characterized by small values of Avrami parameter which do not exceed unit.

  1. Simulation of He embrittlement at grain boundaries in bcc transition metals

    International Nuclear Information System (INIS)

    Suzudo, Tomoaki; Yamaguchi, Masatake

    2015-01-01

    To investigate what atomic properties largely determine vulnerability to He embrittlement at grain boundaries (GB) of bcc metals, we introduce a computational model composed of first principles density functional theory and a He segregation rate theory model. Predictive calculations of He embrittlement at the first wall of the future DEMO fusion concept reactor indicate that variation in the He embrittlement originated not only from He production rate related to neutron irradiation, but also from the He segregation energy at the GB that has a systematic trend in the periodic table. - Highlights: • We modeled He grain boundary (GB) segregation of bcc transition metals using first-principles-based rate theory. • We established the quantitative relation between He embrittlement and He segregation using GB cohesive energy. • He embrittlement was strongly dependent on He segregation energy at the GB that has a systematic trend in the periodic table.

  2. First-principles study of atomic ordering in bcc Cu-Al

    Science.gov (United States)

    Lanzini, F.; Gargano, P. H.; Alonso, P. R.; Rubiolo, G. H.

    2011-01-01

    The order-disorder transitions and phase stability in the body centered cubic structure of Cu-Al binary alloys are studied by means of theoretical methods. The total energy of different ordered compounds sharing a common bcc Bravais lattice was calculated within the framework of density functional theory. A set of effective cluster interactions was calculated through a cluster expansion (CE) of the total energies. The finite temperature phase diagram of bcc Cu-Al was obtained using the CE formalism coupled with the cluster variation method calculation of the configurational entropy. These results are confronted with a simpler semi-empirical approach based on effective pair interactions obtained from experiment. Both approaches predict a single first-order A2/DO3 transition for compositions close to Cu3Al, in agreement with the most recent experimental results.

  3. Stress dependence of the Peierls barrier of 1/2111 screw dislocations in BCC metals

    Czech Academy of Sciences Publication Activity Database

    Gröger, Roman; Vitek, V.

    2013-01-01

    Roč. 61, č. 17 (2013), s. 6362-6371 ISSN 1359-6454 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068; GA ČR GAP204/10/0255 Institutional support: RVO:68081723 Keywords : Screw dislocation * Peierls barrier * Nudged elastic band * BCC metals * Peierls stress Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.940, year: 2013

  4. Which stresses affect the glide of screw dislocations in bcc metals?

    Czech Academy of Sciences Publication Activity Database

    Gröger, Roman

    2014-01-01

    Roč. 94, č. 18 (2014), s. 2021-2030 ISSN 1478-6435 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068 Grant - others:Marie Curie Actions(CZ) 247705 MesoPhysDel Institutional support: RVO:68081723 Keywords : Peierls stress * screw dislocation * bcc metal * non-glide stress * yield criterion Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.825, year: 2014

  5. 18-Electron Resonance Structures in the BCC Transition Metals and Their CsCl-type Derivatives.

    Science.gov (United States)

    Vinokur, Anastasiya I; Fredrickson, Daniel C

    2017-03-06

    Bonding in elemental metals and simple alloys has long been thought of as involving intense delocalization, with little connection to the localized bonds of covalent systems. In this Article, we show that the bonding in body-centered cubic (bcc) structures of the group 6 transition metals can in fact be represented, via the concepts of the 18-n rule and isolobal bonding, in terms of two balanced resonance structures. We begin with a reversed approximation Molecular Orbital (raMO) analysis of elemental Mo in its bcc structure. The raMO analysis indicates that, despite the low electron count (six valence electrons per Mo atom), nine electron pairs can be associated with any given Mo atom, corresponding to a filled 18-electron configuration. Six of these electron pairs take part in isolobal bonds along the second-nearest neighbor contacts, with the remaining three (based on the t 2g d orbitals) interacting almost exclusively with first-nearest neighbors. In this way, each primitive cubic network defined by the second-nearest neighbor contacts comprises an 18-n electron system with n = 6, which essentially describes the full electronic structure of the phase. Of course, either of the two interpenetrating primitive cubic frameworks of the bcc structure can act as a basis for this discussion, leading us to write two resonance structures with equal weights for bcc-Mo. The electronic structures of CsCl-type variants with the same electron count can then be interpreted in terms of changing the relative weights of these two resonance structures, as is qualitatively confirmed with raMO analysis. This combination of raMO analysis with the resonance concept offers an avenue to extend the 18-n rule into other transition metal-rich structures.

  6. Atomistic model application to the problem of magnetite adhesion on iron BCC

    International Nuclear Information System (INIS)

    Forti; M; Alonso, P; Gargano, P; Rubiolo, G

    2012-01-01

    Oxide scale adhesion on a metal substrate has been investigated in the Magnetite - BCC Iron system. An Universal Binding Energy Relation (UBER) has been applied to obtain the interface energy from a fitting parameter. The interface energy thus calculated is in a reasonable order of magnitude when compared to experimental data for similar systems. This result allows this technique to be used to develop a comparative scale based on quantitative data which otherwise would require complex experiments to be obtained (author)

  7. Crack-induced stress, dislocations and acoustic emission by 3-D atomistic simulation in bcc iron

    Czech Academy of Sciences Publication Activity Database

    Spielmannová, Alena; Machová, Anna; Hora, Petr

    2009-01-01

    Roč. 57, č. 14 (2009), s. 4065-4073 ISSN 1359-6454 R&D Projects: GA ČR GA101/09/1630; GA AV ČR KJB200760802; GA ČR(CZ) GA101/07/0789 Institutional research plan: CEZ:AV0Z20760514 Keywords : bcc iron * crack * dislocation emisision Subject RIV: JG - Metallurgy Impact factor: 3.760, year: 2009

  8. 3D atomistic simulation of fatigue behavior of a ductile crack in bcc iron

    Czech Academy of Sciences Publication Activity Database

    Uhnáková, Alena; Machová, Anna; Hora, Petr

    2011-01-01

    Roč. 33, č. 9 (2011), s. 1182-1188 ISSN 0142-1123 R&D Projects: GA ČR(CZ) GAP108/10/0698 Institutional research plan: CEZ:AV0Z20760514 Keywords : 3D molecular dynamics * fatigue * bcc iron * mode I Subject RIV: JG - Metallurgy Impact factor: 1.546, year: 2011 http://www.sciencedirect.com/science/article/pii/S0142112311000600

  9. Structure and magnetism of bulk Fe and Cr: from plane waves to LCAO methods.

    Science.gov (United States)

    Soulairol, R; Fu, Chu-Chun; Barreteau, C

    2010-07-28

    Magnetic, structural and energetic properties of bulk Fe and Cr were studied using first-principles calculations within density functional theory (DFT). We aimed to identify the dependence of these properties on key approximations of DFT, namely the exchange-correlation functional, the pseudopotential and the basis set. We found a smaller effect of pseudopotentials (PPs) on Fe than on Cr. For instance, the local magnetism of Cr was shown to be particularly sensitive to the potentials representing the core electrons, i.e. projector augmented wave and Vanderbilt ultrasoft PPs predict similar results, whereas standard norm-conserving PPs tend to overestimate the local magnetic moments of Cr in bcc Cr and in dilute bcc FeCr alloys. This drawback is suggested to be closely correlated to the overestimation of Cr solution energy in the latter system. On the other hand, we point out that DFT methods with very reduced localized basis sets (LCAO: linear combination of atomic orbitals) give satisfactory results compared with more robust plane-wave approaches. A minimal-basis representation of '3d' electrons comes to be sufficient to describe non-trivial magnetic phases including spin spirals in both fcc Fe and bcc Cr, as well as the experimental magnetic ground state of bcc Cr showing a spin density wave (SDW) state. In addition, a magnetic 'spd' tight binding model within the Stoner formalism was proposed and validated for Fe and Cr. The respective Stoner parameters were obtained by fitting to DFT data. This efficient semiempirical approach was shown to be accurate enough for studying various collinear and non-collinear phases of bulk Fe and Cr. It also enabled a detailed investigation of different polarization states of SDW in bcc Cr, where the longitudinal state was suggested to be the ground state, consistent with existing experimental data.

  10. Modelling plastic deformation in BCC metals: Dynamic recovery and cell formation effects

    International Nuclear Information System (INIS)

    Galindo-Nava, E.I.; Rivera-Díaz-del-Castillo, P.E.J.

    2012-01-01

    A recently developed model for describing plasticity in FCC metals (E.I., Galindo-Nava, P.E.J., Rivera-Díaz-del-Castillo, Mater. Sci. Eng. A 543 (2012) 110–116; E.I. Galindo-Nava, P.E.J. Rivera-Díaz-del-Castillo, Acta Mater. 60 (2012) 4370–4378) has now been applied to BCC. The core of the theory is the thermostatistical description of dislocation annihilation paths, which determines the dynamic recovery rate of the material. Input to this is the energy for the formation, migration and ordering of dislocation paths; the latter term corresponds to the statistical entropy which features strongly on the solution. The distinctions between FCC and BCC stem primarily from the possible directions and planes for dislocation slip and cross-slip, as well as from the presence of the kink-pair mechanism for dislocation migration in BCC, which are incorporated to the mathematical formulation of the model. The theory is unique in describing the stress–strain response for pure iron, molybdenum, tantalum, vanadium and tungsten employing physical parameters as input; the description is made for wide ranges of temperature and strain rate. Additionally, succinct equations to predict dislocation cell size variation with strain, strain rate and temperature are provided and validated for pure iron.

  11. Limitations of BCC_CSM's ability to predict summer precipitation over East Asia and the Northwestern Pacific

    KAUST Repository

    Gong, Zhiqiang

    2017-04-05

    This study examines the ability of the Beijing Climate Center Climate System Model (BCC_CSM) to predict the meridional pattern of summer precipitation over East Asia-Northwest Pacific (EA-NWP) and its East Asia-Pacific (EAP) teleconnection. The differences of summer precipitation modes of the empirical orthogonal function and the bias of atmospheric circulations over EA-NWP are analyzed to determine the reason for the precipitation prediction errors. Results indicate that the BCC_CSM could not reproduce the positive-negative-positive meridional tripole pattern from south to north that differs markedly from that observed over the last 20 years. This failure can be attributed to the bias of the BCC_CSM hindcasts of the summer EAP teleconnection and the low predictability of 500 hPa at the mid-high latitude lobe of the EAP. Meanwhile, the BCC_CSM hindcasts\\' deficiencies of atmospheric responses to SST anomalies over the Indonesia maritime continent (IMC) resulted in opposite and geographically shifted geopotential anomalies at 500 hPa as well as wind and vorticity anomalies at 850 hPa, rendering the BCC_CSM unable to correctly reproduce the EAP teleconnection pattern. Understanding these two problems will help further improve BCC_CSM\\'s summer precipitation forecasting ability over EA-NWP.

  12. The formation mechanism of mechanically alloyed Fe-20 at% Al powder

    Energy Technology Data Exchange (ETDEWEB)

    Hadef, F., E-mail: hadef77@yahoo.fr [Laboratoire de Recherche sur la Physico-Chimie des Surfaces et Interfaces, LRPCSI, Universite 20 Aout 1955, BP 26, Route d' El-Hadaiek, Skikda 21000 (Algeria); Otmani, A. [Laboratoire de Recherche sur la Physico-Chimie des Surfaces et Interfaces, LRPCSI, Universite 20 Aout 1955, BP 26, Route d' El-Hadaiek, Skikda 21000 (Algeria); Djekoun, A. [Laboratoire de Magnetisme et Spectroscopie des Solides, LM2S, Universite Badji Mokhtar, BP 12 Annaba 23000 (Algeria); Greneche, J.M. [LUNAM, Universite du Maine, Institut des Molecules et Materiaux du Mans, UMR CNRS 6283, 72085 Le Mans (France)

    2013-01-15

    The formation mechanism of the mechanically alloyed Fe-20 at% Al, from elemental Fe and Al powders, has been investigated. The experimental results indicate the formation of a nanocrystalline bcc {alpha}-Fe(Al) solid solution with a lattice parameter close to a{sub {alpha}-Fe(Al)}=0.2890 nm, where each Fe atom is surrounded by (6Fe+2Al) in the first coordination sphere. The reaction mechanism of MA process seems to be controlled by a diffusion phenomenon. Aluminum particles undergo an important refinement to the nanometer scale and then they stick on Fe particles of large sizes. A large number of clear Al/Fe interface areas were generated. The short diffusion path and the presence of high concentration of defects accelerated the solid state reaction. - Highlights: Black-Right-Pointing-Pointer A nanocrystalline bcc {alpha}-Fe(Al) solid solution is formed from elemental Fe and Al powders. Black-Right-Pointing-Pointer The reaction mechanism of MA process seems to be controlled by a diffusion phenomenon. Black-Right-Pointing-Pointer Each Fe atom is surrounded by (6Fe+2Al) in the first coordination sphere.

  13. Epitaxial growth of Fe/BaTiO3 heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Brivio, S., E-mail: m.gooley@elsevier.com [LNESS, Dipartimento di Fisica, Politecnico di Milano, via Anzani 42, 22100, Como (Italy); Rinaldi, C.; Petti, D.; Bertacco, R. [LNESS, Dipartimento di Fisica, Politecnico di Milano, via Anzani 42, 22100, Como (Italy); Sanchez, F. [Institut de Ciencia de Materials de Barcelona, Consejo Superior de Investigaciones Cientificas, Campus Universitat Autonoma de Barcelona, Bellaterra 08193, Catalunya (Spain)

    2011-06-30

    The realization of epitaxial heterostructures involving ferroelectric (FE) and ferromagnetic (FM) materials is one of the possible routes towards the realization of devices exploiting sizable magnetoelectric effects. In this paper we demonstrate the epitaxial growth of Fe on BaTiO{sub 3}(001) as this system represents a prototypical example of interface between well known FE and FM materials with bcc and perovskite structure respectively, both with Curie temperature well above 300 K. Fe grows on BaTiO{sub 3} with 45 deg. rotation of its cubic lattice with respect to that of the substrate in order to reduce the lattice mismatch. Negligible interdiffusion of Ba and Ti cations or Fe atoms is found by X-ray photoemission spectroscopy, while a sizable Fe oxidation occurs within an interfacial layer with thicknesses thinner than 3 nm.

  14. Structural and microstructural study of nanostructured Fe{sub 50}Al{sub 40}Ni{sub 10} powders produced by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Hadef, F., E-mail: hadef77@yahoo.fr [Laboratoire de Recherche sur la Physico-chimie des Surfaces et Interfaces, Universite de Skikda, B.P.26 Skikda (Algeria); Otmani, A. [Laboratoire de Recherche sur la Physico-chimie des Surfaces et Interfaces, Universite de Skikda, B.P.26 Skikda (Algeria); Djekoun, A. [Laboratoire de Magnetisme et Spectroscopie des Solide, Universite de Annaba, B.P.12 Annaba (Algeria); Greneche, J.M. [Laboratoire de Physique de l' Etat Condense, UMR CNRS 6087 Universite du Maine, 72085 Le Mans (France)

    2011-08-15

    A nanostructured Fe{sub 50}Al{sub 40}Ni{sub 10} mixture was prepared by mechanical alloying of elemental Fe, Al and Ni powders in a planetary ball mill. Structural and microstructural changes during the milling process were followed by X-ray diffraction technique. The patterns so obtained were analyzed using the Maud program. An ordered B2 FeAl phase is formed after 1 h of milling. The observed lattice expansion is related to the production of antisite defects; Fe{sub Al} and Al{sub Fe}. During the intermediate stages of milling, the mechanical alloying process gives rise to a mixture of two BCC {alpha}{sub i}-Fe(Al,Ni) (i = 1,2) structures with the same crystallite size but different lattice parameters, microstrains and proportions. The BCC {alpha}{sub 2}-Fe(Al,Ni) disappeared after 4 h, only the B2 FeAl and BCC {alpha}{sub 1}-Fe(Al,Ni) solid solution persist over prolonged milling times. - Research highlights: {yields} Fe{sub 50}Al{sub 40}Ni{sub 10} was prepared by MA from Fe, Al and Ni powders in a planetary ball mill. {yields} B2 FeAl is formed after 1 h of MA. Lattice expansion is related to Fe{sub Al} and Al{sub Fe} defects. {yields} MA gives rise to 2 BCC structures with the same L but different a, <{sigma}{sup 2}>{sup 1/2} and %.

  15. Spin Texture And Magnetic Properties Of Fe-Si-Co Alloys

    International Nuclear Information System (INIS)

    Schneeweiss, O.; Zak, T.; Jiraskova, Y.; Havlicek, S.; Solyom, A.; Marko, P.

    1998-01-01

    The Fe-13at.%Si alloys with 1, 3, and 5 at.% of Co were investigated. Spin texture, atomic configuration, and Curie temperature were studied in dependence on chemical composition and heat treatment. Data on atomic arrangements derived form Moessbauer spectra and Curie temperatures showed that Co atoms substituted regular positions of Fe atoms in the bcc lattice. Spin texture was found to be only slightly dependent on the chemical composition of the alloys, however, it varies with heat treatment considerably. (Authors)

  16. Effect of short-range order on magnetic and transport properties of Fe2MnGa Heusler alloy films

    Science.gov (United States)

    Kudryavtsev, Y. V.; Melnyk, A. K.; Trachevskyi, V. V.; Gościańska, I.; Dubowik, J.

    2017-11-01

    Fe56Mn20Ga24, Fe46Mn35Ga19 and Fe39Mn25Ga36 Heusler alloy (HA) films are investigated. It is shown that as-deposited Fe-Mn-Ga films are fine crystalline with a body-centered cubic (BCC) structure. Annealing of the films leads to the formation of a face-centered cubic (FCC) structure. The BCC to FCC transformation results in a drastic increase in the magnetization, the Curie temperature as well as in a change of the sign of temperature coefficient of resistivity from negative to positive. These effects are discussed in terms of band structures of L21 and L12 phases of stoichiometric Fe2MnGa HA.

  17. Magnetostatic Interaction in Fe-Co Nanowires

    Directory of Open Access Journals (Sweden)

    Laura Elbaile

    2012-01-01

    Full Text Available Arrays of Fe-Co alloy nanowires with diameter around 35 nm and several micrometers in length have been synthesized by codepositing Fe and Co into porous anodic alumina. The morphology, structure, and magnetic properties of the nanowires (hysteresis loops and remanence curves were characterized by SEM, TEM, X-ray diffraction (XRD, and VSM, respectively. The XRD patterns indicate that the Fe-Co nanowires present a body-centered cubic (bcc structure and a preferred (110 orientation perpendicular to the template surface. From the hysteresis loops obtained with the magnetic field applied in the axis direction of the nanowires, we can observe that the coercive field slightly decreases when the nanowire length increases. This magnetic behaviour is analyzed considering the shape anisotropy and the dipolar interactions among nanowires.

  18. Reflectance Spectra of Synthetic Ortho- and Clinoenstatite in the UV, VIS, and IR for Comparison with Fe-poor Asteroids

    Science.gov (United States)

    Markus, Kathrin; Arnold, Gabriele; Hiesinger, Harald; Rohrbach, Arno

    2016-04-01

    Major rock forming minerals like pyroxenes are very common in the solar system and show characteristic absorption bands due to Fe2+ in the VIS and NIR [e.g., 1, 2]. The Fe-free endmember enstatite is also a common mineral on planetary surfaces like asteroids and probably Mercury [3] and a major constituent of meteorites like aubrites [4] and enstatite chondrites [5]. Reflectance spectra of these meteorites as well as the enstatite-rich or generally Fe-poor asteroids like the asteroidal targets of the Esa Rosetta mission (2867) Steins [6] and (21) Lutetia [7] are often featureless in the VIS and NIR lacking the absorption features associated with iron incorporated into the crystal structure of silicates. Fe-bearing orthopyroxenes show diagnostic absorption bands at ˜1 μm and ˜2 μm. While systematic changes in positions and depths of these bands with changes in Fe- and Ca-content of orthopyroxenes have been extensively studied [e.g., 2, 8], almost Fe-free enstatite is so far only spectroscopically investigated by [2]. For a better understanding of these Fe-poor bodies the availability of laboratory spectra of Fe-free silicates as analog materials are crucial but terrestrial samples of enstatite usually contain several mol% of FeO with pure enstatite being extremely rare. For easy availability of larger amounts of pure enstatite we developed a technique for synthesis of enstatite. These enstatite samples can be used as analog materials for laboratory studies for e.g. producing mixtures with other mineral samples. Enstatite has 3 stable polymorphs with clinoenstatite, orthoenstatite, and protoenstatite being stable at low (600° C), and high (>1000° C) temperatures [9]. Orthoenstatite and protoenstatite are orthorhombic, while clinoenstatite is monoclinic. Orthoenstatite is abundant in terrestrial rocks and in meteorites. Clinoenstatite is known from meteorites [5, 9]. Both polymorphs of enstatite therefore exist on the parent bodies of aubrites and enstatite

  19. All-Digital Galvanically-Coupled BCC Receiver Resilient to Frequency Misalignment.

    Science.gov (United States)

    Chen, Pengpeng; Yang, Huazhong; Luo, Rong; Zhao, Bo

    2017-06-01

    It is promising for wearable devices to go to a miniature size to alleviate the load of human body. One way to miniaturize the communication nodes on human body is to remove the bulky components such as antenna and crystal. Galvanically-coupled body channel communication (GC-BCC) has a great advantage over conventional wireless communications in reducing the size of wearable devices because it reuses the monitoring electrodes for signal transmission in place of antennas. To remove the crystal as well, the receiver must be immune to different types of frequency misalignments. This paper presents a GC-BCC receiver based on low power all-digital Gaussian frequency shift keying (GFSK) demodulation and clock-data recovery (CDR). A carrier tracking technique is proposed to detect and automatically adapt to the misalignment of carrier frequency. In addition, we also propose a circle-index CDR circuit to deal with the inaccuracy or drift of the clock frequency. The proposed circuit is implemented with 0.18 μm CMOS technology, and it operates at 200 kHz with a BFSK/GFSK modulation index of 1.0. Measured results show that the chip consumes 0.53 mA at a data rate of 100 kb/s. At a 10 cm body channel length, the GC-BCC receiver can tolerate a carrier misalignment up to [Formula: see text] and a clock error up to [Formula: see text], while keeping the bit error rate (BER) below 0.1%.

  20. Calculation of thermodynamic equilibrium between bcc disordered solid solutions U and Mo

    International Nuclear Information System (INIS)

    Alonso, Paula R.; Rubiolo, Gerardo H.

    2003-01-01

    There is actually an interest to develop a new fuel with higher density for research reactors. Fuel plates would be obtained by dispersion, a method that requires both a very dense fuel dispersant (>15.0 g U/cm 3 ) and a very high volume loading of the dispersant (>55%). Dispersants based in gamma (BCC) stabilized uranium alloys are being investigated, as they are able to reach uranium densities of 17.0 g U/cm 3 . Among them, we focus in U(Mo) bcc solid solutions with the addition of ternary elements to stabilize gamma phase. Transition metals, 4d and 5d, of groups VII and VIII are good candidates for the ternary alloy U - Mo - X. Their relative power to stabilize gamma phase seems to be in close relation with bonding energies between atoms in the alloy. A first approach to the calculation of these energies has been performed by the semi empiric method of Miedema where only bonds between pairs are considered, neglecting ternary and quaternary bonds. There is also a lack of information concerning solubilities of the ternary elements in the ternary cubic phase. In this work we aim to calculate bonding energies between atoms in the alloy using a cluster expansion of the formation energy (T=0 K) of a series of bcc ordered compounds in the systems U-Mo-X. Then the calculation of the equilibrium phase diagram by the Cluster Variation Method will be done (CVM). We show here the first part of the investigation devoted to calculation of phases equilibria in the U Mo system Formation energies of the ordered compounds were obtained by the first principles methods TB-LMTO-ASA and FP-LAPW. Another set of bonding energies was calculated in order to fit the known experimental diagram and new formation energies for the ordered compounds were derived from them. Discrepancies between both sets are discussed. (author)

  1. Atomic structure and thermal stability of Pt-Fe bimetallic nanoparticles: from alloy to core/shell architectures.

    Science.gov (United States)

    Huang, Rao; Wen, Yu-Hua; Shao, Gui-Fang; Sun, Shi-Gang

    2016-06-22

    Bimetallic nanoparticles comprising noble metal and non-noble metal have attracted intense interest over the past few decades due to their low cost and significantly enhanced catalytic performances. In this article, we have explored the atomic structure and thermal stability of Pt-Fe alloy and core-shell nanoparticles by molecular dynamics simulations. In Fe-core/Pt-shell nanoparticles, Fe with three different structures, i.e., body-centered cubic (bcc), face-centered cubic (fcc), and amorphous phases, has been considered. Our results show that Pt-Fe alloy is the most stable configuration among the four types of bimetallic nanoparticles. It has been discovered that the amorphous Fe cannot stably exist in the core and preferentially transforms into the fcc phase. The phase transition from bcc to hexagonal close packed (hcp) has also been observed in bcc-Fe-core/Pt-shell nanoparticles. In contrast, Fe with the fcc structure is the most preferred as the core component. These findings are helpful for understanding the structure-property relationships of Pt-Fe bimetallic nanoparticles, and are also of significance to the synthesis and application of noble metal based nanoparticle catalysts.

  2. Defect-induced change of temperature-dependent elastic constants in BCC iron

    Energy Technology Data Exchange (ETDEWEB)

    Gao, N.; Setyawan, W.; Zhang, S. H.; Wang, Z. G.

    2017-07-01

    The effects of radiation-induced defects (randomly distributed vacancies, voids, and interstitial dislocation loops) on temperature-dependent elastic constants, C11, C12, and C44 in BCC iron, are studied with molecular dynamics method. The elastic constants are found to decrease with increasing temperatures for all cases containing different defects. The presence of vacancies, voids, or interstitial loops further decreases the elastic constants. For a given number of point defects, the randomly distributed vacancies show the strongest effect compared to voids or interstitial loops. All these results are expected to provide useful information to combine with experimental results for further understanding of radiation damage.

  3. X-ray diffraction analysis of substructures in plastically deformed BCC materials

    International Nuclear Information System (INIS)

    Klimanek, P.

    1993-01-01

    A procedure for line-shape analysis of broadened X-ray (or neutron) diffraction peaks is presented and specified for b.c.c. materials, which takes into account the effect of interfaces, internal stress of the 2nd kind and a dislocation distribution with weak defect correlation. Application of the technique is demonstrated by the estimation of dislocation densities in plastically deformed α-iron and steel. The results confirm that X-ray line-broadening analysis is suitable for integrated substructure characterization, but it becomes also evident that local structural inhomogeneity and the texture of the sample material must carefully included into the interpretation of experimental data. (orig.)

  4. A numerical study of crack initiation in a bcc iron system based on dynamic bifurcation theory

    International Nuclear Information System (INIS)

    Li, Xiantao

    2014-01-01

    Crack initiation under dynamic loading conditions is studied under the framework of dynamic bifurcation theory. An atomistic model for BCC iron is considered to explicitly take into account the detailed molecular interactions. To understand the strain-rate dependence of the crack initiation process, we first obtain the bifurcation diagram from a computational procedure using continuation methods. The stability transition associated with a crack initiation, as well as the connection to the bifurcation diagram, is studied by comparing direct numerical results to the dynamic bifurcation theory [R. Haberman, SIAM J. Appl. Math. 37, 69–106 (1979)].

  5. Trace element associations with Fe- and Mn-oxides in soil nodules: Comparison of selective dissolution with electron probe microanalysis

    Energy Technology Data Exchange (ETDEWEB)

    Neaman, Alexander [Area de Medio Ambiente, Facultad de Agronomia, Pontificia Universidad Catolica de Valparaiso, Casilla 4-D, Quillota (Chile); Centro Regional de Estudios en Alimentos Saludables, Region de Valparaiso (Chile)], E-mail: alexander.neaman@ucv.cl; Martinez, Carmen Enid [Department of Crop and Soil Sciences, Pennsylvania State University, University Park, PA 16802 (United States); Trolard, Fabienne; Bourrie, Guilhem [INRA, UR 1119, Geochimie des Sols et des Eaux, BP 80, 13545 Aix-en-Provence cedex 04 (France)

    2008-04-15

    Selective dissolution methods have been largely used to get insight on trace element association with solid phases. Modern instrumental techniques offer many tools to test the validity of selective dissolution methods and should be systematically used to this end. The association of trace elements with Fe- and Mn-oxides in soil nodules has been studied here by electron probe microanalysis. The results were compared with findings from an earlier study on selective dissolution of the same nodules by hydroxylamine hydrochloride, acidified hydrogen peroxide, and Na-citrate-bicarbonate-dithionite. Electron probe microanalysis results were consistent with previous findings using selective dissolution and showed that P, As and Cr were mainly present in Fe-oxides, while Co was mainly associated with Mn-oxide phases. These results support the applicability of the studied selective dissolution methods for fractionation of trace elements in soils and sediments containing appreciable amounts of Fe and Mn-oxide phases.

  6. Structural and magnetic properties of Fe{sub x}Ni{sub 100−x} alloys synthesized using Al as a reducing metal

    Energy Technology Data Exchange (ETDEWEB)

    Srakaew, N. [Department of Physics, Faculty of Science, Kasetsart University, Bangkok 10900 (Thailand); Jantaratana, P., E-mail: fscipsj@ku.ac.th [Department of Physics, Faculty of Science, Kasetsart University, Bangkok 10900 (Thailand); Nipakul, P. [Department of Physics, Faculty of Science, Kasetsart University, Bangkok 10900 (Thailand); Sirisathitkul, C. [Molecular Technology Research Unit, School of Science, Walailak University, Nakhon Si Thammarat 80161 (Thailand)

    2017-08-01

    Highlights: • Reduction by aluminum is a simple and safe route to synthesize iron-nickel alloys. • Alloy compositions with up to 90 at.% Fe can be obtained with minimal oxidation. • Morphology and magnetic properties are varied with the alloy composition. - Abstract: Iron-nickel (Fe-Ni) alloys comprising nine different compositions were rapidly synthesized from the redox reaction using aluminum foils as the reducing metal. Compared with conventional chemical syntheses, this simple approach is relatively safe and allows control over the alloy morphology and magnetic behavior as a function of the alloy composition with minimal oxidation. For alloys having low (10%–30%) Fe content the single face-centered cubic (FCC) FeNi{sub 3} phase was formed with nanorods aligned in the (1 1 1) crystalline direction on the cluster surface. This highly anisotropic morphology gradually disappeared as the Fe content was raised to 40%–70% with the alloy structure possessing a mixture of FCC FeNi{sub 3} and body-centered cubic (BCC) Fe{sub 7}Ni{sub 3}. The FCC phase was entirely replaced by the BCC structure upon further increase the Fe content to 80%–90%. The substitution of Ni by Fe in the crystals and the dominance of the BCC phase over the FCC structure gave rise to enhanced magnetization. By contrast, the coercive field decreased as a function of increasing Fe because of the reduction in shape anisotropy and the rise of saturation magnetization.

  7. Classification of different kinds of pesticide residues on lettuce based on fluorescence spectra and WT-BCC-SVM algorithm

    Science.gov (United States)

    Zhou, Xin; Jun, Sun; Zhang, Bing; Jun, Wu

    2017-07-01

    In order to improve the reliability of the spectrum feature extracted by wavelet transform, a method combining wavelet transform (WT) with bacterial colony chemotaxis algorithm and support vector machine (BCC-SVM) algorithm (WT-BCC-SVM) was proposed in this paper. Besides, we aimed to identify different kinds of pesticide residues on lettuce leaves in a novel and rapid non-destructive way by using fluorescence spectra technology. The fluorescence spectral data of 150 lettuce leaf samples of five different kinds of pesticide residues on the surface of lettuce were obtained using Cary Eclipse fluorescence spectrometer. Standard normalized variable detrending (SNV detrending), Savitzky-Golay coupled with Standard normalized variable detrending (SG-SNV detrending) were used to preprocess the raw spectra, respectively. Bacterial colony chemotaxis combined with support vector machine (BCC-SVM) and support vector machine (SVM) classification models were established based on full spectra (FS) and wavelet transform characteristics (WTC), respectively. Moreover, WTC were selected by WT. The results showed that the accuracy of training set, calibration set and the prediction set of the best optimal classification model (SG-SNV detrending-WT-BCC-SVM) were 100%, 98% and 93.33%, respectively. In addition, the results indicated that it was feasible to use WT-BCC-SVM to establish diagnostic model of different kinds of pesticide residues on lettuce leaves.

  8. A Comparison of High Damping Shape Memory Alloys with Cu-Mn-Based and Fe-Cr-Based Alloys.

    Science.gov (United States)

    1987-06-01

    and Houze , G.L., "Magnetic Properties and Domain Structure in Grain-Oriented 3% Si-Fe," IEEE Transactions on MaQnetics, Vol. MAG-10, No. 2, pp. 195-222...USN 4 803 Market Street Summerhill, Pennsylvania 15958 7. Mr. Robert Hardy, Code 2803 5 David W. Taylor Naval Ship R&D Center Annapolis, Maryland

  9. Effectiveness of FeEDDHA, FeEDDHMA, and FeHBED in Preventing Iron-Deficiency Chlorosis in Soybean

    NARCIS (Netherlands)

    Bin, Levi M.; Weng, Liping; Bugter, Marcel H.J.

    2016-01-01

    The performance of FeHBED in preventing Fe deficiency chlorosis in soybean (Glycine max (L.) Merr.) in comparison to FeEDDHA and FeEDDHMA was studied, as well as the importance of the ortho-ortho and ortho-para/rest isomers in defining the performance. To this end, chlorophyll production (SPAD),

  10. Co thin film with metastable bcc structure formed on GaAs(111 substrate

    Directory of Open Access Journals (Sweden)

    Minakawa Shigeyuki

    2014-07-01

    Full Text Available Co thin films are prepared on GaAs(111 substrates at temperatures ranging from room temperature to 600 ºC by radio-frequency magnetron sputtering. The growth behavior and the detailed resulting film structure are investigated by in-situ reflection high-energy electron diffraction and X-ray diffraction. In early stages of film growth at temperatures lower than 200 ºC, Co crystals with metastable A2 (bcc structure are formed, where the crystal structure is stabilized through hetero-epitaxial growth. With increasing the film thickness beyond 2 nm, the metastable structure starts to transform into more stable A1 (fcc structure through atomic displacements parallel to the A2{110} close-packed planes. The crystallographic orientation relationship between the A2 and the transformed A1 crystals is A1{111} || A2{110}. When the substrate temperature is higher than 400 ºC, Ga atoms of substrate diffuse into the Co films and a Co-Ga alloy with bcc-based ordered structure of B2 is formed.

  11. Elastic fields, dipole tensors, and interaction between self-interstitial atom defects in bcc transition metals

    Science.gov (United States)

    Dudarev, S. L.; Ma, Pui-Wai

    2018-03-01

    Density functional theory (DFT) calculations show that self-interstitial atom (SIA) defects in nonmagnetic body-centered-cubic (bcc) metals adopt strongly anisotropic configurations, elongated in the direction [S. Han et al., Phys. Rev. B 66, 220101 (2002), 10.1103/PhysRevB.66.220101; D. Nguyen-Manh et al., Phys. Rev. B 73, 020101 (2006), 10.1103/PhysRevB.73.020101; P. M. Derlet et al., Phys. Rev. B 76, 054107 (2007), 10.1103/PhysRevB.76.054107; S. L. Dudarev, Annu. Rev. Mater. Res. 43, 35 (2013), 10.1146/annurev-matsci-071312-121626]. Elastic distortions, associated with such anisotropic atomic structures, appear similar to distortions around small prismatic dislocation loops, although the extent of this similarity has never been quantified. We derive analytical formulas for the dipole tensors of SIA defects, which show that, in addition to the prismatic dislocation looplike character, the elastic field of a SIA defect also has a significant isotropic dilatation component. Using empirical potentials and DFT calculations, we parametrize dipole tensors of defects for all the nonmagnetic bcc transition metals. This enables a quantitative evaluation of the energy of elastic interaction between the defects, which also shows that in a periodic three-dimensional simple cubic arrangement of crowdions, long-range elastic interactions between a defect and all its images favor a orientation of the defect.

  12. LatticeLibrary and BccFccRaycaster: Software for processing and viewing 3D data on optimal sampling lattices

    Directory of Open Access Journals (Sweden)

    Elisabeth Schold Linnér

    2016-01-01

    Full Text Available In this paper, we present LatticeLibrary, a C++ library for general processing of 2D and 3D images sampled on arbitrary lattices. The current implementation supports the Cartesian Cubic (CC, Body-Centered Cubic (BCC and Face-Centered Cubic (FCC lattices, and is designed to facilitate addition of other sampling lattices. We also introduce BccFccRaycaster, a plugin for the existing volume renderer Voreen, making it possible to view CC, BCC and FCC data, using different interpolation methods, with the same application. The plugin supports nearest neighbor and trilinear interpolation at interactive frame rates. These tools will enable further studies of the possible advantages of non-Cartesian lattices in a wide range of research areas.

  13. Assessment and correction of BCC_CSM's performance in capturing leading modes of summer precipitation over North Asia

    KAUST Repository

    Gong, Zhiqiang

    2017-11-07

    This article examines the ability of Beijing Climate Center Climate System Model (BCC_CSM) in demonstrating the prediction accuracy and the leading modes of the summer precipitation over North Asia (NA). A dynamic-statistic combined approach for improving the prediction accuracy and the prediction of the leading modes of the summer precipitation over NA is proposed. Our results show that the BCC_CSM can capture part of the spatial anomaly features of the first two leading modes of NA summer precipitation. Moreover, BCC_CSM regains relationships such that the first and second mode of the empirical orthogonal function (EOF1 and EOF2) of NA summer precipitation, respectively, corresponds to the development of the El Niño and La Niña conditions in the tropical East Pacific. Nevertheless, BCC_CSM exhibits limited prediction skill over most part of NA and presents a deficiency in reproducing the EOF1\\'s and EOF2\\'s spatial pattern over central NA and EOF2\\'s interannual variability. This can be attributed as the possible reasons why the model is unable to capture the correct relationships among the basic climate elements over the central NA, lacks in its ability to reproduce a consistent zonal atmospheric pattern over NA, and has bias in predicting the relevant Sea Surface Temperature (SST) modes over the tropical Pacific and Indian Ocean regions. Based on the proposed dynamic-statistic combined correction approach, compared with the leading modes of BCC_CSM\\'s original prediction, anomaly correlation coefficients of corrected EOF1/EOF2 with the tropical Indian Ocean SST are improved from 0.18/0.36 to 0.51/0.62. Hence, the proposed correction approach suggests that the BCC_CSM\\'s prediction skill for the summer precipitation prediction over NA and its ability to capture the dominant modes could be certainly improved by choosing proper historical analogue information.

  14. Low temperature study of mechanically alloyed Fe67.5Ni32.5 Invar sample

    Science.gov (United States)

    Valenzuela, J. L.; Valderruten, J. F.; Pérez Alcázar, G. A.; Colorado, H. D.; Romero, J. J.; González, J. M.; Greneche, J. M.; Marco, J. F.

    2015-07-01

    The study at low temperatures of powder of the Invar alloy, Fe67.5Ni32.5, produced by mechanical alloying, shows that the sample presents two structural phases, the Fe-Ni BCC and the Fe-Ni FCC. The 57Fe Mössbauer spectra obtained in this sample at different temperatures were fitted considering two hyperfine magnetic field distributions. The first one having the larger mean field and only one peak (at ca. 35 T, varying with T), is associated with the BCC phase, and the second one, presenting several broad peaks (distributed between 10 and 35 T), is associated to the FCC phase. A singlet, which is associated to low spin Fe sites of the FCC phase, was also considered. The mean hyperfine magnetic field of the BCC phase increases monotonically as temperature decreases, while that of the FCC phase presents an anomaly near 75 K. The real part of the ac magnetic susceptibility temperature scans presents a peak whose position increases from 31 to 39 K, when the ac field frequency increases from 100 to 5000 Hz. These results permit to associate the detected anomaly to the occurrence of a reentrant spin glass transition.

  15. Hyperfine Interactions and Some Magnetic Properties of Nanocrystalline Co40Fe50Ni10 and Co50Fe45Ni5 Alloys Prepared by Mechanical Synthesis and Subsequently Heat Treated

    International Nuclear Information System (INIS)

    Pikula, T.; Oleszak, D.; Pekala, M.

    2011-01-01

    Co 40 Fe 50 Ni 10 and Co 50 Fe 45 Ni 5 ternary alloys were prepared by mechanical alloying method. To check the stability of their structure thermal treatment was applied subsequently. As X-ray diffraction studies proved the final products of milling were the solid solutions with bcc lattice and the average grain sizes ranged of tens of nanometers. After heating of the Co 50 Fe 45 Ni 5 alloy up to 993 K the mixture of two solid solutions with bcc and fcc lattices was formed. In other cases thermal treatment did not change the type of the crystalline lattice. Moessbauer spectroscopy revealed hyperfine magnetic field distributions which reflected the different possible atomic surroundings of 57 Fe isotopes. Results of the macroscopic magnetic measurements proved that both investigated alloys had relatively good soft magnetic properties. (authors)

  16. Nd-Fe-B-Cu hot deformation processing: a comparison of deformation modes, microstructural development and magnetic properties

    International Nuclear Information System (INIS)

    Ferrante, M.; Sinka, V.; Assis, O.B.G.; Oliveira, I. de; Freitas, E. de

    1996-01-01

    Due to its relative simplicity and low cost the hot deformation of Nd-Fe-B ingots is rapidly reaching the status of a valid alternative to sintering. Among the possible deformation modes, pressing, rolling and forging are perhaps the most successful. This paper describes the research programme undertaken so far, by discussing the relationship between deformation mode, microstructure and magnetic properties of magnets produced by hot deformation mode, microstructure and magnetic properties of magnets produced by hot deformation of a number of Nd-fe-B-Cu alloys. Microstructural observation showed that both pressed and forged samples are characterized by a heterogeneous microstructure and from magnetic measurements it was concluded that magnetic properties differ when taken in the center or in the periphery of the sample. On the other hand roller magnets were homogeneous both in terms of microstructure and magnetic properties, and interpretations of the mechanisms of texture development and of microstructural development of hot deformed magnets is put forward. (author)

  17. Charged FeC{sub n} clusters: A comparison with TMC{sub n}{sup +}/TMC{sub n}{sup -} (TM = Sc, Ti, V, Co and Zn, n = 1-8) systems

    Energy Technology Data Exchange (ETDEWEB)

    Redondo, Pilar, E-mail: predondo@qf.uva.es [Computacional Chemistry Group, Departamento de Quimica Fisica y Quimica Inorganica, Facultad de Ciencias, Universidad de Valladolid, 47005 Valladolid (Spain); Largo, Laura; Barrientos, Carmen [Computacional Chemistry Group, Departamento de Quimica Fisica y Quimica Inorganica, Facultad de Ciencias, Universidad de Valladolid, 47005 Valladolid (Spain)

    2009-10-16

    The electronic and geometrical structures of the ground and excited states for the linear, fan and cyclic isomers of FeC{sub n}{sup +}andFeC{sub n}{sup -} (n = 1-8) compounds are calculated using the B3LYP method. A comparison of these results with the previously obtained for TMC{sub n}{sup +}/TMC{sub n}{sup -} (TM = Sc, Ti, V, Co and Zn) systems, is carried out. Quartet and sextet states are found the most stables for FeC{sub n}{sup +} clusters. Linear FeC{sub n}{sup -} clusters prefer doublet and quartet ground states, whereas for cyclic and fan isomers the most stables are quartet and sextet ones. n-odd linear, fan, and cyclic FeC{sub n}{sup +} isomers are more stable than adjacent n-even ones. For FeC{sub n}{sup -} clusters the opposite trend is found for linear and fan structures, whereas for cyclic isomers the relative stability decreases along the series. In general linear isomers are the most stable conformations for FeC{sub n}{sup +}/FeC{sub n}{sup -} clusters. Systematic trends of different properties are analyzed for TMC{sub n}{sup +}/TMC{sub n}{sup -} clusters.

  18. A comparison of the metallurgical behaviour of dispersion fuels with uranium silicides and U6Fe as dispersants

    International Nuclear Information System (INIS)

    Nazare, S.

    1984-01-01

    In the past few years metallurgical studies have been carried out to develop fuel dispersions with U-densities up to 7.0 Mg U m -3 . Uranium silicides have been considered to be the prime candidates as dispersants; U 6 Fe being a potential alternative on account of its higher U-density. The objective of this paper is to compare the metallurgical behaviour of these two material combinations with regard to the following aspects: (1) preparation of the compounds U 3 Si, U 3 Si 2 and U 6 Fe; (2) powder metallurgical processing to miniature fuel element plates; (3) reaction behaviour under equilibrium conditions in the relevant portions of the ternary U-Si-Al and U-Fe-Al systems; (4) dimensional stability of the fuel plates after prolonged thermal treatment; (5) thermochemical behaviour of fuel plates at temperatures near the melting point of the cladding. Based on this data, the possible advantages of each fuel combination are discussed. (author)

  19. Interaction of He and He–V clusters with self-interstitials and dislocations defects in bcc Fe

    Energy Technology Data Exchange (ETDEWEB)

    Terentyev, Dmitry, E-mail: dterenty@sckcen.be [SCK-CEN, Nuclear Material Science Institute, Boeretang 200, B-2400 Mol (Belgium); Anento, Napoleón; Serra, Anna [Department Matemàtica Aplicada III, E.T.S. Enginyeria de Camins, Universitat Politècnica de Catalunya, Jordi Girona 1-3, 08034 Barcelona (Spain); Ortiz, C.J. [Laboratorio Nacional de Fusión por Confinamiento Magnético, CIEMAT, 28040 Madrid (Spain); Zhurkin, E.E. [Department of Experimental Nuclear Physics K-89, Institute of Physics, Nanotechnology and Telecommunications, St. Petersburg State Polytechnical University, 29 Polytekhnicheskaya str., 195251 St. Petersburg (Russian Federation)

    2015-03-15

    The understanding of helium effects in synergy with radiation damage is crucial for the development of structural steels for fusion applications. Recent investigations in ultra-pure iron, taken as a basic model, have shown a drastic impact of dual beam (helium and iron) exposure on the accumulation of radiation-induced dislocation loops in terms of strong bias towards a{sub 0}/2〈1 1 1〉 loops, while a{sub 0}〈1 0 0〉 loops are mostly observed upon iron ion beam. In this work we perform a series of atomistic studies to rationalize possible mechanisms through which He could affect the evolution of microstructure and bias the population of a{sub 0}/2〈1 1 1〉 loops. It is shown that He atoms are dragged by gliding a{sub 0}/2〈1 1 1〉 loops. This strongly suppresses loop diffusivity and in turn it prohibits the mutual interaction of a{sub 0}/2〈1 1 1〉 loops, being prerequisite of the formation of a{sub 0}〈1 0 0〉 loops, as well as it reduces the disappearance of a{sub 0}/2〈1 1 1〉 loops at sinks. A scenario for the microstructural evolution in the single- and dual-beam conditions is discussed.

  20. Structural, magnetic and magneto-transport properties of thermally evaporated Fe/Cu multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Bouziane, K.; Al-Busaidi, M.; Gismelseed, A.; Al-Rawas, A. [Physics Department, College of Science, Sultan Qabos University, P. O. Box 36, Postal Code 123, Al-Khodh, Muscat (Oman)

    2004-05-01

    Structural, magnetic and magneto-transport properties of thermally evaporated Fe/Cu multilayers (MLs) have been investigated. Although multilayered structure has been successfully obtained, a substantial interfacial roughness ranging from 0.6 nm to 1.2 nm has been determined. All Fe/Cu MLs were polycrystalline with an average grain size of about 10 nm. Fe was bcc and textured (110) whereas Cu was fcc(111). Transmission electron microscopy analysis showed that the fcc Cu layer was rather textured (110) and (100) at least in the first stage of growth of the Fe/Cu MLs. Conversion electron Moessbauer (CEMS) measurements indicated the existence of three phases. Two of them were magnetic with a dominant bcc Fe phase, followed by fcc Fe phase. The third phase was superparamagnetic. The CEMS results were explained in terms of the partial diffusion of Fe into Cu with three different zones. The small magnetoresistance (MR<0.2%) was correlated to Fe clusters located at Fe-Cu interfaces. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

  1. The effect of strain for N2 dissociation on Fe surfaces

    DEFF Research Database (Denmark)

    Logadottir, Ashildur; Nørskov, Jens Kehlet

    2001-01-01

    The effect of strain on N-2 dissociation on Fe surfaces has been investigated by the use of density functional calculations (DFT). To study the strain effect we did calculations on fcc-Fe(111) surfaces with different lattice constants. These calculations show that by expanding the surface lattice...... in the overlayer. Calculations on another closed packed Fe surface, bcc-Fe(110) are also reported. (C) 2001 Elsevier Science B.V. All rights reserved.......The effect of strain on N-2 dissociation on Fe surfaces has been investigated by the use of density functional calculations (DFT). To study the strain effect we did calculations on fcc-Fe(111) surfaces with different lattice constants. These calculations show that by expanding the surface lattice...... constant, the barrier for the N2 dissociation is lowered. The same effect can be achieved by having a pseudomorphic Fe layer on a Ru(0001) surface. The dissociation barrier on the strained Fe overlayer is lower than on the unperturbed bcc-Fe(110) surface by an amount given primarily by the strain...

  2. Exchange bias variations of the seed and top NiFe layers in NiFe/FeMn/NiFe trilayer as a function of seed layer thickness

    International Nuclear Information System (INIS)

    Sankaranarayanan, V.K.; Yoon, S.M.; Kim, C.G.; Kim, C.O.

    2005-01-01

    Development of exchange bias at the seed and top NiFe layers in the NiFe (t nm)/FeMn(10 nm)/NiFe(5 nm) trilayer structure is investigated as a function of seed layer thickness, in the range of 2-20 nm. The seed NiFe layer shows maximum exchange bias at 4 nm seed layer thickness. The bias shows inverse thickness dependence with increasing thickness. The top NiFe layer on the other hand shows only half the bias of the seed layer which is retained even after the sharp fall in seed layer bias. The much smaller bias for the top NiFe layer is related to the difference in crystalline texture and spin orientations at the top FeMn/NiFe interface, in comparison to the bottom NiFe/FeMn interface which grows on a saturated NiFe layer with (1 1 1) orientation

  3. Organometallic Routes into the Nanorealms of Binary Fe-Si Phases

    Directory of Open Access Journals (Sweden)

    Teddy M. Keller

    2010-02-01

    Full Text Available The Fe-Si binary system provides several iron silicides that have varied and exceptional material properties with applications in the electronic industry. The well known Fe-Si binary silicides are Fe3Si, Fe5Si3, FeSi, a-FeSi2 and b-FeSi2. While the iron-rich silicides Fe3Si and Fe5Si3 are known to be room temperature ferromagnets, the stoichiometric FeSi is the only known transition metal Kondo insulator. Furthermore, Fe5Si3 has also been demonstrated to exhibit giant magnetoresistance (GMR. The silicon-rich b-FeSi2 is a direct band gap material usable in light emitting diode (LED applications. Typically, these silicides are synthesized by traditional solid-state reactions or by ion beam-induced mixing (IBM of alternating metal and silicon layers. Alternatively, the utilization of organometallic compounds with reactive transition metal (Fe-carbon bonds has opened various routes for the preparation of these silicides and the silicon-stabilized bcc- and fcc-Fe phases contained in the Fe-Si binary phase diagram. The unique interfacial interactions of carbon with the Fe and Si components have resulted in the preferential formation of nanoscale versions of these materials. This review will discuss such reactions.

  4. Organometallic Routes into the Nanorealms of Binary Fe-Si Phases

    Science.gov (United States)

    Kolel-Veetil, Manoj K.; Keller, Teddy M.

    2010-01-01

    The Fe-Si binary system provides several iron silicides that have varied and exceptional material properties with applications in the electronic industry. The well known Fe-Si binary silicides are Fe3Si, Fe5Si3, FeSi, α-FeSi2 and β-FeSi2. While the iron-rich silicides Fe3Si and Fe5Si3 are known to be room temperature ferromagnets, the stoichiometric FeSi is the only known transition metal Kondo insulator. Furthermore, Fe5Si3 has also been demonstrated to exhibit giant magnetoresistance (GMR). The silicon-rich β-FeSi2 is a direct band gap material usable in light emitting diode (LED) applications. Typically, these silicides are synthesized by traditional solid-state reactions or by ion beam-induced mixing (IBM) of alternating metal and silicon layers. Alternatively, the utilization of organometallic compounds with reactive transition metal (Fe)-carbon bonds has opened various routes for the preparation of these silicides and the silicon-stabilized bcc- and fcc-Fe phases contained in the Fe-Si binary phase diagram. The unique interfacial interactions of carbon with the Fe and Si components have resulted in the preferential formation of nanoscale versions of these materials. This review will discuss such reactions.

  5. Stress wave radiation from the cleavage crack extension in 3D bcc iron crystals

    Czech Academy of Sciences Publication Activity Database

    Uhnáková, Alena; Machová, Anna; Hora, Petr; Červ, Jan; Kroupa, Tomáš

    2010-01-01

    Roč. 50, č. 2 (2010), s. 678-685 ISSN 0927-0256 R&D Projects: GA ČR(CZ) GA101/09/1630; GA AV ČR(CZ) IAA200760611 Institutional research plan: CEZ:AV0Z20760514 Keywords : bcc iron * cleavage * acoustic emission sources * FEM * MD Subject RIV: BI - Acoustics Impact factor: 1.458, year: 2010 http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWM-5196KMK-3-16&_cdi=5566&_user=640952&_pii=S0927025610005379&_origin=search&_zone=rslt_list_item&_coverDate=12%2F31%2F2010&_sk=999499997&wchp=dGLbVtb-zSkWA&md5=d89705973ea4893248499205ae317b76&ie=/sdarticle.pdf

  6. Study of loop-loop and loop-edge dislocation interactions in bcc iron

    DEFF Research Database (Denmark)

    Osetsky, Y.N.; Bacon, D.J.; Gao, F.

    2000-01-01

    Recent theoretical calculations and atomistic computer simulations have shown that one-dimensional glissile clusters of self-interstitial atoms (SIAs) play an important role in the evolution of microstructure in metals and alloys under cascade damage conditions. Recently, it has been proposed...... that the evolution of heterogeneities such as dislocation decoration and rafts has serious impacts on the mechanical properties on neutron-irradiated metals. In the present work, atomic-scale computer modelling (ASCM) has been applied to study the mechanisms for the formation of such microstructure in bcc iron....... It is shown that glissile clusters with parallel Burgers vectors interact strongly and can form extended immobile complexes, i.e., rafts. Similar attractive interaction exists between dislocation loops and an edge dislocation. These two mechanisms may be responsible for the formation of extended complexes...

  7. Magnetic ordering and ferroelectricity in multiferroic 2 H -AgFeO 2: Comparison between hexagonal and rhombohedral polytypes

    Science.gov (United States)

    Terada, Noriki; Khalyavin, Dmitry D.; Manuel, Pascal; Tsujimoto, Yoshihiro; Belik, Alexei A.

    2015-03-01

    Magnetic and dielectric properties of the hexagonal triangular lattice antiferromagnet 2 H -AgFeO2 have been studied by neutron diffraction, magnetic susceptibility, specific heat, pyroelectric current, and dielectric constant measurements. The ferroelectric polarization, P ≃5 μ C /m2 , has been found to appear below 11 K due to a polar nature of the magnetic ground state of the system. In the temperature range of 11 K ≤T ≤18 K , an incommensurate spin density wave (ICM1) with the nonpolar magnetic point group m m m 1' and the k1=(0 ,qb1,0 ;qb1=0.390 -0.405 ) propagation vector takes place. Below 14 K, a proper screw ordering (ICM2) and k2=(0 ,qb2,0 ;qb2=0.385 -0.396 ) appears as a minor phase which coexists with ICM1 and the ground state down to the lowest measured temperature 5.5 K. No ferroelectric polarization associated with the ICM2 phase was observed in agreement with its nonpolar point group 2221'. Finally, a spiral order with cycloid and proper screw components (ICM3), and k3=(qa3,qb3,0 ;qa3=0.0467 ,qb3=0.349 ) emerges below 11 K as the ground state of the system. Based on the deduced magnetic point group 21', we conclude that the ferroelectric polarization in ICM3 is parallel to the c axis and is caused by the inverse Dzyloshinskii-Moriya effect with p1∝ri j×(Si×Sj) . Unlike the rhombohedral 3 R -AgFeO2 polytype, the additional contribution to the macroscopic polarization p2∝Si×Sj is not allowed in the present case due to the symmetry constraints imposed by the hexagonal lattice of 2 H -AgFeO2 .

  8. Investigation of irradiation strengthening of b.c.c. metals and their alloys. Progress report, January 1976--October 1976

    International Nuclear Information System (INIS)

    1976-01-01

    Research on irradiation of bcc metals and alloys is reported. Data and information are presented in appendixes on low temperature neutron irradiation of Nb, effects of tritium on the yield stress of Nb, multiple dislocation motion, dislocation group motion, dislocation kinetics, and computer simulation of dislocation motion

  9. Assessment of the structural relations between the bcc and omega phases of Ti, Zr, Hf and other transition metals

    International Nuclear Information System (INIS)

    Aurelio, G.; Guillermet, A.F.

    2000-01-01

    The name omega (Ω) phase refers to a high-pressure structural modification of the transition metals (TMs) Ti, Zr, and Hf. In alloys of Ti, Zr and Hf with other TMs, the Ω phase can be formed and retained metastably at room temperature by quenching the bcc structure, which is usually the stable high-temperature phase in these alloy systems. As a part of a systematic investigation of the structural and bonding properties of the bcc and Ω phases, and of the bcc → Ω phase transformation in TMs and alloys, we present in this paper a detailed analysis of the structural relations between these phases in Ti, Zr, Hf and in other TMs. The approach is as follows. First, we establish the most general geometrical relations connecting the lattice parameters and interatomic distances (IDs) of the bcc and Ω structures. Next, we focus on the ratio between the relevant IDs of these phases, which are assessed on the basis of an extensive database with experimental and theoretical information. Both stable and metastable structures are considered, and various remarkable regularities in ID ratios are discussed. Finally, in the light of the systematics of ID ratios established in the present work, a discussion is made of the probable lattice parameters for the Ω phase of Hf, which are not yet accurately known from direct measurements. (orig.)

  10. Cerium heterodiffusion in bcc lanthanum. The influence of the β→γ transformation on diffusion coefficients

    International Nuclear Information System (INIS)

    Fromont, M.

    1976-01-01

    It is shown that neither the dislocations resulting from the phase transformation (closed packed structure-body cubic centered structure), nor the grain boundaries are responsible for the high values of the diffusion coefficients in the b.c.c. structures of the rare earth metals [fr

  11. Photodynamic Therapy Using Indolines-Fused-Triazoles Induces Mitochondrial Apoptosis in Human Non-Melanoma BCC Cells.

    Science.gov (United States)

    Hu, Wan-Ping; Kuo, Kung-Kai; Senadi, Gopal Chandru; Chang, Long-Sen; Wang, Jeh-Jeng

    2017-10-01

    Cancer is one of the most dreadful diseases in humans and among them non-melanoma skin cancer (NMSC) is an increasing problem in the world, that occurs more frequently in people with fair skin. Photodynamic therapy (PDT), a non-invasive treatment is widely used for the prevention and treatment of BCC cells. We previously reported an efficient synthesis of novel indolines-fused-triazoles and studied their photophysical studies. This study delineated the signaling pathways involved in the PDT effect of triazoles on BCC cells under UVA irradiation. Cell survival was evaluated by the MTT assay. The uptake of 1j in BCC cells was determined by using its fluorescence properties. Intracellular ROS and mitochondrial membrane potential (ΔΨ mt ) were measured using DCFH-DA probe and DiOC 6 dye, respectively. Cytochrome c release was determined using immunofluorescent staining. Our data disclosed that treatment of BCC cells with 1j -UVA resulted in increased ROS generation, loss of mmp (ΔΨ mt ), decreased levels of Bcl-2 and Bcl-xL, increased levels of Bax and Bad, cytochrome c release, and caspase-3/PARP degradation to identify apoptotic cell death. The present study suggest that 1j -PDT may serve as a potential ancillary modality for the treatment of NMSC. Copyright© 2017, International Institute of Anticancer Research (Dr. George J. Delinasios), All rights reserved.

  12. COMPARISON OF DIFFERENT EXTRACTION METHODS REPRESENTING AVAILABLE AND TOTAL CONCENTRATIONS OF Cd, Cu, Fe, Mn and Zn IN SOIL

    Directory of Open Access Journals (Sweden)

    Vladimir Ivezić

    2013-06-01

    Full Text Available Various extraction methods are used to predict plant uptake of trace metals. Most commonly it is total concentration that is used for risk assessment and evaluation of trace metal availability. However, recent studies showed that total concentration is a poor indicator of availability while concentrations in soil solution show good correlation with plant uptake. Present study was conducted on magricultural soils with low levels of trace metals where 45 soil samples were collected from different soil types. The main objective was to compare four different extraction methods and examine how total and reactive (EDTA trace metal concentrations correlate ,with soil solution concentration (in this study determined by water extraction. The samples were analyzed by four extraction methods: strong acid extraction (ultra-pure HNO3 extraction and aqua regia, weak acid extraction by EDTA and the most available fraction, fraction in soil solution, were represented by water extraction (weakest extractant. Five elements were investigated (Cd, Cu, Fe, Mn and Zn. Water extraction significantly correlated with EDTA extraction for Cu, Fe and Mn, while total extraction (HNO3 extraction and aqua regia correlated significantly with water extraction only for Cu. No correlation between water extraction and total extraction confirmed poor role of total concentration as an indicator of availability. EDTA extraction can be used to represent reactive pool of trace metals in soil but it should be also taken with caution when using it to describe available fraction.

  13. Comparison of electrospun and conventional LiFePO{sub 4}/C composite cathodes for Li-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Bachtin, Krystyna, E-mail: krystyna.bachtin@kit.edu [Institute for Applied Materials – Energy Storage Systems (IAM-ESS), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Helmholtz Institute Ulm for Electrochemical Energy Storage (HIU), Albert-Einstein-Allee 11, 89081 Ulm (Germany); Kaus, Maximilian [Institute for Applied Materials – Energy Storage Systems (IAM-ESS), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Helmholtz Institute Ulm for Electrochemical Energy Storage (HIU), Albert-Einstein-Allee 11, 89081 Ulm (Germany); Pfaffmann, Lukas [Institute for Applied Materials – Energy Storage Systems (IAM-ESS), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Indris, Sylvio; Knapp, Michael [Institute for Applied Materials – Energy Storage Systems (IAM-ESS), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Helmholtz Institute Ulm for Electrochemical Energy Storage (HIU), Albert-Einstein-Allee 11, 89081 Ulm (Germany); Roth, Christina [Freie Universität Berlin (FUB), Physical Chemistry, Takustraße 3, 14195 Berlin (Germany); Ehrenberg, Helmut [Institute for Applied Materials – Energy Storage Systems (IAM-ESS), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Helmholtz Institute Ulm for Electrochemical Energy Storage (HIU), Albert-Einstein-Allee 11, 89081 Ulm (Germany)

    2016-11-15

    In order to apply low conductive materials, such as LiFePO{sub 4}, in lithium-ion batteries, a conductive additive like carbon black is commonly used to build an electronic transport path between the active particles. The connection between active phase and conductive media has a dominant influence on electrochemical properties and lifetime of batteries. We compare the performance and properties of electrodes which were prepared in two different ways with the same LiFePO{sub 4} nanopowder as the active phase. The electrodes were prepared in a conventional route, based on the commonly used powder-suspension coating on metallic foils and in an alternative route, based on the electrospinning method. As a result, the obtained electrodes have different structures and connections between the active and conductive phase, which has an influence on the electrode behavior during cycling. The accessible high thickness and variable density of the electrodes are the main advantages of the electrodes prepared by electrospinning.

  14. TEY study of local atomic structure of interfaces in Fe/Cr multilayer prepared in situ at synchrotron BESSY II

    International Nuclear Information System (INIS)

    Kiryanov, S.A.; Sidorenko, A.F.; Babanov, Yu.A.; Romashev, L.N.; Milyaev, M.A.; Kuznetsov, V.L.; Ustinov, V.V.; Vyalikh, D.V.

    2005-01-01

    The investigation of interface in the Fe/Cr multilayer by total electron yield (TEY) is presented. Samples with different thickness of Fe on the top of Cr layer were prepared in situ. TEY measurements were performed using synchrotron radiation at Russian-German beamline (RGBL) (BESSY II). Partial pair correlation functions were determined as a result of the solution of the inverse ill-posed problem. Also, concentration distribution function of solid-state solutions in the interface was obtained using a new technique. The results obtained demonstrate the BCC solid-state solution with average concentration Fe 50 Cr 50 for interface Fe/Cr

  15. Evaluation of natural organic matter adsorption on Fe-Al binary oxide: Comparison with single metal oxides.

    Science.gov (United States)

    Kim, Kyung-Jo; Jang, Am

    2017-10-01

    The adsorption characteristics of three types of standard natural organic matter (NOM) on iron-aluminum (Fe-Al) binary oxide (FAO) and heated aluminum oxide (HAO) under natural surface water condition were investigated using various adsorption isotherms and kinetic models. FAO was synthesized by Fe oxide and Al oxide, mixed using the sol-gel hydrothermal method, and aluminum sulfate was used to make HAO. The amount of adsorbed NOM was increased to 79.6 mg g -1 for humic acid (HA), 101.1 mg g -1 for sodium alginate (SA) in the FAO, but the maximum adsorption capacity of bovine serum albumin (BSA) (461.3 mg g -1 ) was identified on the HAO. The adsorption of HA, BSA, and SA dramatically increased (>70%) on FAO in 5 min and HA was significantly removed (90%) among the three NOM. Mutual interaction among the adsorbed NOM (BSA) occurred on the HAO surface during adsorption due to formation of monolayer by protein molecules at neutral pH. The pseudo second order clearly represented the adsorption kinetics for both adsorbents. The equilibrium isotherm data of FAO was better exhibited by the Langmuir isotherm model than by the Freundlich isotherm, but HAO was a slightly non-linear Langmuir type. Also, the free energy, enthalpy, and entropy of adsorption were determined from the thermodynamic experiments. Adsorption on FAO was spontaneous and an exothermic process. Fluorescence excitation-emission matrix (FEEM) spectra were used to elucidate the variation in organic components. The results obtained suggests that the significant changes in the surface property of the adsorbent (large surface area, increased crystalline intensity, and fine particle size) were effectively determined by the Fe-synthesized Al oxide mixed using the sol-gel hydrothermal method. The results also suggest that the changes enhanced the adsorption capacity, whereby three NOM were notably removed on FAO regardless of NOM characteristics (hydrophobic and hydrophilic). Copyright © 2017 Elsevier

  16. COMPARISON OF CATALYTIC ACTIVITIES BOTH FOR SELECTIVE OXIDATION AND DECOMPOSITION OF AMMONIA OVER Fe/HZβ CATALYST

    Directory of Open Access Journals (Sweden)

    YELİZ ÇETİN

    2016-11-01

    Full Text Available Ammonia is one of the syngas contaminants that must be removed before using the syngas downstream applications. The most promising hot-gas clean-up techniques of ammonia are selective catalytic oxidation (SCO and catalytic decomposition. In this study, the catalytic activities over Zeolite Hβ supported iron catalyst (Fe/HZβ were compared both for the two catalytic routes. For SCO experiments; temperature (300-550 °C, O2 (2000-6000 ppmv and (0-10% H2 concentrations were investigated with the presence of 800 ppm NH3 in each of the final gas mixture. In the second route, catalytic ammonia decomposition experiments were carried out with H2 in balance N2 (0-30% containing 800 ppm NH3 at 700°C and 800°C. In the SCO, NH3 conversions were increased with increasing reaction temperatures with the absence of H2 in the reaction mixture. With 10% H2, it was shown that NH3 conversions increased with decreasing the reaction temperature. This was interpreted as the competing H2 and NH3 oxidations over the catalyst. On the other hand, in the catalytic decomposition, thermodynamic equilibrium conversion of almost 100% was attained at both 700 and 800 °C. Upon H2 addition, all conversions decreased. The decrease in conversion seemed to be linear with inlet hydrogen concentration. Hydrogen was seen to inhibit ammonia decomposition reaction. It was shown that Fe/HZβ catalyst is better to use for catalytic decomposition of NH3 in syngas rather than SCO of NH3 in spite of higher reaction temperatures needed in the decomposition reaction.

  17. Annealing temperature dependence of magnetic properties of CoFeB/MgO stacks on different buffer layers

    Science.gov (United States)

    Watanabe, Kyota; Fukami, Shunsuke; Sato, Hideo; Ikeda, Shoji; Matsukura, Fumihiro; Ohno, Hideo

    2017-08-01

    We investigate the annealing temperature dependence of the magnetic properties of CoFeB/MgO stacks with different buffer materials (Mo, Ta, and W). For Mo and W, bcc-crystalline and amorphous-like films are prepared by changing the deposition conditions. A relatively small saturation magnetization is maintained after annealing up to 400 °C for the samples with bcc-W, bcc-Mo, and amorphous-like Mo buffers. A small variation in magnetic dead layer thickness with annealing is observed for the samples with bcc-crystalline buffer layers. The interfacial anisotropy is found to mainly depend on the element of the buffer layer used regardless of its crystalline structure, and is larger for the samples with W and Mo buffers than those with Ta buffer. The sample with bcc-Mo buffer shows the highest robustness against annealing among the studied systems. We give a systematic picture based on the thermochemistry that can reasonably explain the observed buffer layer dependence of the variations in magnetic properties with annealing.

  18. Deformation of Forsterite Polycrystals at Mantle Pressure. Comparison with Fe-bearing Olivine and the Effect of Iron on its Plasticity

    Energy Technology Data Exchange (ETDEWEB)

    Bollinger, Caroline [CNRS Lille University of Science and Technology (France); Merkel, Sebastien [CNRS Lille University of Science and Technology (France); Cordier, Patrick [CNRS Lille University of Science and Technology (France); Raterron, Paul [CNRS Lille University of Science and Technology (France)

    2014-12-23

    Rheology of polycrystalline forsterite was investigated in the Deformation-DIA (D-DIA) using insitu X-ray diffraction at pressure between 3.1 and 8.1 GPa, temperature in the 1373–1673 K range, and at steady-state strain rate ranging from 0.5 × 10-5 to 5.5 × 10-5 s-1. Microscopic observations of the run products show characteristic microstructures of the so-called “dislocation creep regime” in wet conditions. Based on the present data at 1473 K, the pressure effect on forsterite plasticity is quantified using an activation volume V*F0 = 12.1±3.0 cm3 mol-1. Moreover, a comparison between the strain rates of San Carlos olivine and forsterite specimens deformed together indicates that, at the experimental conditions, they compare with each other within less than half an order of magnitude. Our comparison also allows for the determination of the stress exponent of forsterite of nFo = 2.3 ± 0.6. Our results, combined with data from the literature, indicate a clear trend of increasing stress exponent with Fe content in olivine.

  19. Moessbauer study of Fe-Co nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Chen Ziyu [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou (China)]. E-mail: chenzy@lzu.edu.cn; Zhan Qingfeng; Xue Desheng; Li Fashen [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou (China); Zhou Xuezhi; Kunkel, Henry; Williams, Gwyn [Department of Physics and Astronomy, the University of Manitoba (Canada)

    2002-01-28

    Arrays of Fe{sub 1-x}Co{sub x} (0.0{<=}x{<=}0.92) nanowires have been prepared by an electrochemical process, co-depositing Fe and Co atoms into the pores of anodic aluminium; their compositions were determined by atomic absorption spectroscopy. Transmission electron microscope results show that the nanowires are regularly spaced and uniform in shape with lengths of about 7.5 {mu}m and diameters of 20 nm. The x-ray diffraction indicates a texture in the deposited nanowires. For the composition below 82 at.% cobalt, the nanowires had a body-centred-cubic structure with a [110] preferred orientation. For the 92 at.% cobalt sample, the alloy exhibited a mixture of bcc and face-centred-cubic structure. The room temperature {sup 57}Fe Moessbauer spectra of the arrays of Fe{sub 1-x}Co{sub x} nanowires have second and fifth absorption lines of the six-line pattern with almost zero intensity, indicating that the internal magnetic field in the nanowires lies along the long axis of the nanowire. The maximum values of the hyperfine field (B{sub hf} 36.6{+-}0.1 T) and isomer shift (IS=0.06{+-}0.01 mm s-1) occur for 44 at.% cobalt. The variations of the isomer shift and the linewidths with composition indicate that the Fe{sub 1-x}Co{sub x} alloy nanowires around the equiatomic composition are in an atomistic disordered state. (author)

  20. Ethylbenzene dehydrogenation over Mg3Fe0.5−xCoxAl0.5 catalysts derived from hydrotalcites: Comparison with Mg3Fe0.5−yNiyAl0.5 catalysts

    KAUST Repository

    Atanda, Luqman A.

    2011-04-01

    A series of Mg3Fe0.5-xCoxAl0.5 (x = 0-0.5) catalysts were prepared from hydrotalcite precursors and their activities in the dehydrogenation of ethylbenzene were compared with those of a series of Mg3Fe0.5-yNiyAl0.5 (y = 0-0.5) catalysts also derived from hydrotalcite. The hydrotalcites prepared by co-precipitation were calcined at 550 °C to the mixed oxides with a high surface area of 150-240m2gcat-1; they were composed of Mg(Fe,Me,Al)O periclase and Mg(Me)(Fe,Al)2O4 spinel (Me = Co or Ni). Bimetallic Fe3+-Co2+ system showed a synergy, i.e., an increase in the activity, whereas Fe3+-Ni2+ bimetallic system showed no synergy. The high styrene yield was obtained on Mg 3Fe0.1Co0.4Al0.5; however, a large substitution of Fe3+ with Co2+ caused a decrease in styrene selectivity along with coking on the catalysts, due to an isolation of CoOx on the catalyst surface. The highest yield as well as the highest selectivity for styrene production was obtained at x = 0.25 at time on stream of 30 min. The coprecipitation at pH = 10.0 and the composition of Mg3Fe0.25Co0.25Al0.5 were the best for preparing the active catalyst. This is partly due to the formation of a good hydrotalcite structure. On this catalyst, the active Fe3+ species was reduced at a low temperature by the Fe3+-Co2+ bimetal formation, leading to a high activity. Simultaneously, the amount of reducible Fe3+ was the smallest, resulting in a high stability of the active Fe3+ species. It is likely that the dehydrogenation was catalyzed by the reduction-oxidation between Fe3+ and Fe2+ and that Co2+ assisted the reduction-oxidation by forming Fe 3+-Co2+ (1/1) bimetallic active species. © 2011 Elsevier B.V. All rights reserved.

  1. Microstructural approach to fatigue-crack processes in polycrystalline bcc materials. Annual technical progress report IV

    International Nuclear Information System (INIS)

    Gerberich, W.W.

    1983-01-01

    The following were studied: strain-rate sensitivity of Ti-30 Mo after cyclic stabilization, cyclic stress-strain of Ti-30 Mo, plastic strain distributions in Fe-4% Si single crystal cleavage, fatugue closure and thresholds in Fe binary alloys, and fatigue crack thresholds in HSLA steel. 8 figures

  2. Moessbauer and x-ray study of mechanically alloyed Fe-Ni alloys around the Invar composition

    Energy Technology Data Exchange (ETDEWEB)

    Valderruten, J F; Perez Alcazar, G A [Departamento de Fisica, Universidad del Valle, A. A. 25360, Cali (Colombia); Greneche, J M [Laboratoire de Physique de l' Etat Condense, UMR CNRS 6087, Universite du Maine, Avenue Olivier Messiaen, F-72085 Le Mans cedex (France)

    2008-12-03

    Fe{sub 100-x}Ni{sub x} powders (22.5{<=}x{<=}40 at.%) mechanically alloyed (MA) for 10 h were characterized by x-ray diffraction (XRD) and transmission {sup 57}Fe Moessbauer spectrometry (TMS). In all of this composition range, the nanostructured alloys consist of two crystalline phases, body-centred cubic (BCC) and face-centred cubic (FCC). The Moessbauer spectra were fitted by means of a new fitting model involving two hyperfine magnetic field distributions (HMFDs), and a narrow singlet. One HMFD corresponds to the ferromagnetic BCC grains (tetrataenite), and the other to the ferromagnetic FCC grains (taenite), and the narrow singlet to paramagnetic FCC grains (antitaenite or superparamagnetic FCC grains). The Ni content dependence of the hyperfine field at {sup 57}Fe nuclei of the FCC phase gives evidence for some jump at about 32.5 at.% Ni, attributed to Invar anomaly.

  3. Mössbauer and x-ray study of mechanically alloyed Fe Ni alloys around the Invar composition

    Science.gov (United States)

    Valderruten, J. F.; Pérez Alcázar, G. A.; Grenèche, J. M.

    2008-12-01

    Fe100-xNix powders (22.5alloyed (MA) for 10 h were characterized by x-ray diffraction (XRD) and transmission 57Fe Mössbauer spectrometry (TMS). In all of this composition range, the nanostructured alloys consist of two crystalline phases, body-centred cubic (BCC) and face-centred cubic (FCC). The Mössbauer spectra were fitted by means of a new fitting model involving two hyperfine magnetic field distributions (HMFDs), and a narrow singlet. One HMFD corresponds to the ferromagnetic BCC grains (tetrataenite), and the other to the ferromagnetic FCC grains (taenite), and the narrow singlet to paramagnetic FCC grains (antitaenite or superparamagnetic FCC grains). The Ni content dependence of the hyperfine field at 57Fe nuclei of the FCC phase gives evidence for some jump at about 32.5 at.% Ni, attributed to Invar anomaly.

  4. Atomic structure of Fe thin-films on Cu(0 0 1) studied with stereoscopic photography

    International Nuclear Information System (INIS)

    Hattori, Azusa N.; Fujikado, M.; Uchida, T.; Okamoto, S.; Fukumoto, K.; Guo, F.Z.; Matsui, F.; Nakatani, K.; Matsushita, T.; Hattori, K.; Daimon, H.

    2004-01-01

    The complex magnetic properties of Fe films epitaxially grown on Cu(0 0 1) have been discussed in relation to their atomic structure. We have studied the Fe films on Cu(0 0 1) by a new direct method for three-dimensional (3D) atomic structure analysis, so-called 'stereoscopic photography'. The forward-focusing peaks in the photoelectron angular distribution pattern excited by the circularly polarized light rotate around the light axis in either clockwise or counterclockwise direction depending on the light helicity. By using a display-type spherical mirror analyzer for this phenomenon, we can obtain stereoscopic photographs of atomic structure. The photographs revealed that the iron structure changes from bcc to fcc and almost bcc structure with increasing iron film thickness

  5. Magnetic study of Fe65Ni20Nb6B9 nanocomposite alloys

    International Nuclear Information System (INIS)

    Cabrera, A.F.; Rodriguez Torres, C.E.; Mendoza Zelis, P.; Fernandez Van Raap, M.; Socolovsky, L.M.; Pasquevich, G.; Sanchez, F.H.

    2004-01-01

    The alloy Fe 65 Ni 20 Nb 6 B 9 was obtained from the elemental constituents in a high-energy planetary ball mill and subsequently thermally treated at 873 and 900 K in order to obtain the equilibrium phases. The as-prepared nanocrystalline alloy consists primarily of metastable BCC α-Fe(Ni) nanocrystals while the treated ones consist of a mixture of BCC (ferromagnetic) and FCC (paramagnetic at room temperature) phases. Hysteresis loops at 5 and 300 K present low remanence and coercivity. As-prepared sample exhibits the best soft magnetic properties. In all samples, the susceptibility curves suggest magnetic collective (long-range order) behavior with a maximum between 70 and 90 K. This feature is caused by nanometric-sized magnetic particles. The huge difference between blocking and irreversibility temperatures in the field cooling and zero-field cooling scans indicates a wide grain-size distribution

  6. Measurement of shear strength and texture evolution in BCC materials subjected to high pressures

    Science.gov (United States)

    Escobedo, Juan Pablo

    Deformation modeling of metals subjected to extreme pressures and strain rates requires an understanding of the pressure-dependent dislocation core structure and its effect upon dislocation mobility. The core structure and dislocation mobilities can be predicted as a function of applied pressure from sophisticated interatomic potentials calculations and first-principles based atomistic simulations. The goal of the thesis is to develop and implement a testing procedure that experimentally determines pressure-dependent dislocation mobilities in oriented single crystals of the BCC transition metals. These experiments provide calibration data for models of materials subjected to extreme pressures and assist in model validation such as the Steinberg-Guinan hardening model or discrete dislocation dynamics simulations. An experimental procedure is reported to perform shear tests on specimens held under moderately high hydrostatic pressures (on the order of 10 GPa). A thin foil of polycrystalline Ta was used to perform experiments under hydrostatic pressures ranging from 2.1 to 4.2 GPa. A change in texture due to accumulation of slip was observed. Close to a strain of 1, the texture is predicted to change from {111} + {100} to {101}+{121}+{123}, the primary and secondary slip planes in BCC. These {101}+{121}+{123} textures were present in all the samples subjected to pressures greater than the threshold pressure to have internal shearing. The experimental (TEM) evidence shows different microstructures with the pressure being the only variable. At low pressures (2 GPa), an expected microstructure containing only dislocations was found to be responsible for the plastic deformation. At higher pressures (4 GPa) the dislocations appear to arrange themselves into elongated cell walls, with widths of 50-100 nm and lengths close to a micron. Testing on Mo single crystals were carried out. Two different orientations {110} and {121} were tested such that simple shear deformation was

  7. Origins of giant biquadratic coupling in CoFe/Mn/CoFe sandwich structures (abstract)

    Science.gov (United States)

    Koon, Norman C.

    1996-04-01

    Recently Filipkowski et al. reported extremely strong, near 90 degree coupling of 2.5 erg/cm2 for epitaxial sandwiches of CoFe/Mn/CoFe, where the CoFe composition was chosen to be a good lattice match to Mn. Both CoFe and Mn have the bcc structure, but Mn is antiferromagnetic while CoFe is ferromagnetic. It was found that the data were very well described by a simple model due to Slonczewski, in which the interlayer coupling is given by Fc=C+(φ1-φ2)2+C-(φ1-φ2-π)2. While this model describes the data much better than the usual biquadratic form, it still does not connect directly to the microscopic origins of the effect. In the present work we seek to explain the results in terms of normal bilinear exchange and magnetocrystalline anisotropy, together with reasonable assumptions about the structure of the interfaces. We obtain excellent agreement with both the experimental results and the Slonczewski model under the assumptions that at least one of the two CoFe/Mn interfaces is smooth (i.e., atomically flat) on a length scale comparable to or greater than the thickness of the Mn layer and at least one interface is rough on a scale less than approximately a domain wall thickness.

  8. Spin-wave excitations and magnetism of sputtered Fe/Au multilayers

    Indian Academy of Sciences (India)

    ples were grown on a Au buffer layer of 100 Å thick and covered by a 20 Å thick Au layer to prevent oxidation. In all cases, the ... structure and showed a (110) texture for bcc Fe. The fcc Au buffer layer is seen to have a (111) texture. ..... in the first Brillouin zone. In equation (12), the zero-point fluctuation effects have not been ...

  9. Density functional theory studies of screw dislocation core structures in bcc metals

    DEFF Research Database (Denmark)

    Frederiksen, Søren Lund; Jacobsen, Karsten Wedel

    2003-01-01

    The core structures of (I 11) screw dislocations in bee metals are studied using density functional theory in the local-density approximation. For Mo and Fe, direct calculations of the core structures show the cores to be symmetric with respect to 180degrees rotations around an axis perpendicular...... to the dislocation line. The magnetic moment in the Fe core is shown to be reduced relative to the bulk value. Calculations of gamma surfaces and the elastic constants B, C' and c(44) are reported for Fe and all group VB and VIB metals. Using a criterion suggested by Vitek and Duesbery the calculations point...

  10. Investigation of point defects diffusion in bcc uranium and U–Mo alloys

    International Nuclear Information System (INIS)

    Smirnova, D.E.; Kuksin, A.Yu.; Starikov, S.V.

    2015-01-01

    We present results of investigation of point defects formation and diffusion in pure γ-U and γ-U–Mo fuel alloys. The study was performed using molecular dynamics simulation with the different interatomic potentials. The point defects formation and migration energies were estimated for bcc γ-U and U–9 wt.%Mo alloy. The calculated diffusivities of atoms via defects are provided for pure γ-U and for the alloy components. Analysis of simulation results shows that self-interstitial atoms play a leading role in the self-diffusion processes in the materials studied. This fact can explain a remarkably high self-diffusion mobility observed experimentally for γ-U. The self-diffusion coefficients in γ-U calculated in this assumption agree with the data measured experimentally. It is shown that alloying of γ-U with Mo increase formation energy for self-interstitial atoms and decelerate their mobility. These changes lead to decrease of self-diffusion coefficients in U–Mo alloy compared to pure U

  11. Amylase Production from Thermophilic Bacillus sp. BCC 021-50 Isolated from a Marine Environment

    Directory of Open Access Journals (Sweden)

    Altaf Ahmed Simair

    2017-06-01

    Full Text Available The high cost of fermentation media is one of the technical barriers in amylase production from microbial sources. Amylase is used in several industrial processes or industries, for example, in the food industry, the saccharification of starchy materials, and in the detergent and textile industry. In this study, marine microorganisms were isolated to identify unique amylase-producing microbes in starch agar medium. More than 50 bacterial strains with positive amylase activity, isolated from marine water and soil, were screened for amylase production in starch agar medium. Bacillus sp. BCC 021-50 was found to be the best amylase-producing strain in starch agar medium and under submerged fermentation conditions. Next, fermentation conditions were optimized for bacterial growth and enzyme production. The highest amylase concentration of 5211 U/mL was obtained after 36 h of incubation at 50 °C, pH 8.0, using 20 g/L molasses as an energy source and 10 g/L peptone as a nitrogen source. From an application perspective, crude amylase was characterized in terms of temperature and pH. Maximum amylase activity was noted at 70 °C and pH 7.50. However, our results show clear advantages for enzyme stability in alkaline pH, high-temperature, and stability in the presence of surfactant, oxidizing, and bleaching agents. This research contributes towards the development of an economical amylase production process using agro-industrial residues.

  12. Biodegradation of organics in landfill leachate by immobilized white rot fungi, Trametes versicolor BCC 8725.

    Science.gov (United States)

    Saetang, Jenjira; Babel, Sandhya

    2012-12-01

    Immobilized Trametes versicolor BCC 8725 was evaluated for the biodegradation of the organic components of four different types of landfill leachate collected at different time periods and locations from the Nonthaburi landfill site of Thailand in batch treatment. The effects of carbon source, ammonia and organic loading on colour, biochemical oxygen demand (BOD) and chemical oxygen demand (COD) removal, and the reuse of immobilized fungi were investigated. It was found that fungi can remove 78% of colour, reduce BOD by 68% and reduce COD by 57% in leachate within 15 days at optimum conditions. Organic loading and ammonia were the factors that affected the biodegradation. When immobilized T versicolor on polyurethane foam (PUF) was subjected to repeated use for treatment over the course of three cycles, the decolourization efficiency of the first and the second cycle was very similar, whereas the third cycle was about 20% lower than the first cycle under similar conditions. The obtained removal of colour, BOD and COD indicates the effectiveness of fungi for leachate treatment with high organic loading and varied leachate characteristics.

  13. FCC, BCC and SC Lattices Derived from the Coxeter-Weyl groups and quaternions

    Directory of Open Access Journals (Sweden)

    Nazife Özdeş Koca

    2014-06-01

    Full Text Available We construct the fcc (face centered cubic, bcc (body centered cubic and sc (simple cubic lattices as the root and the weight lattices of the affine extended Coxeter groups W(A3 and W(B3=Aut(A3. It is naturally expected that these rank-3 Coxeter-Weyl groups define the point tetrahedral symmetry and the octahedral symmetry of the cubic lattices which have extensive applications in material science. The imaginary quaternionic units are used to represent the root systems of the rank-3 Coxeter-Dynkin diagrams which correspond to the generating vectors of the lattices of interest. The group elements are written explicitly in terms of pairs of quaternions which constitute the binary octahedral group. The constructions of the vertices of the Wigner-Seitz cells have been presented in terms of quaternionic imaginary units. This is a new approach which may link the lattice dynamics with quaternion physics. Orthogonal projections of the lattices onto the Coxeter plane represent the square and honeycomb lattices.

  14. On the Secrecy Capacity Region of the Block-Fading BCC with Limited CSI Feedback

    KAUST Repository

    Hyadi, Amal

    2017-02-07

    In this work, we examine the secrecy capacity region of the block-fading broadcast channel with confidential messages (BCC) when the transmitter has limited knowledge of the channel. In particular, we consider a two-user communication system where the transmitter has one common message to be transmitted to both users and one confidential message intended to only one of them. The confidential message has to be kept secret from the other user to whom the information is not intended. The transmitter is not aware of the channel state information (CSI) of neither channel and is only provided by limited CSI feedback sent at the beginning of each fading block. Assuming an error-free feedback link, we characterize the secrecy capacity region of this channel and show that even with a 1-bit CSI feedback, a positive secrecy rate can still be achieved. Then, we look at the case where the feedback link is not error- free and is rather a binary erasure channel (BEC). In the latter case, we provide an achievable secrecy rate region and show that as long as the erasure event is not a probability 1 event, the transmitter can still transmit the confidential information with a positive secrecy rate.

  15. Influence of point defects on grain boundary mobility in bcc tungsten.

    Science.gov (United States)

    Borovikov, Valery; Tang, Xian-Zhu; Perez, Danny; Bai, Xian-Ming; Uberuaga, Blas P; Voter, Arthur F

    2013-01-23

    Atomistic computer simulations were performed to study the influence of radiation-induced damage on grain boundary (GB) sliding processes in bcc tungsten (W), the divertor material in the ITER tokamak and the leading candidate for the first wall material in future fusion reactors. In particular, we calculated the average sliding-friction force as a function of the number of point defects introduced into the GB for a number of symmetric tilt GBs. In all cases the average sliding-friction force at fixed shear strain rate depends on the number of point defects introduced into the GB, and in many cases introduction of these defects reduces the average sliding-friction force by roughly an order of magnitude. We have also observed that as the number of interstitials in the GB is varied, the direction of the coupled GB motion sometimes reverses, causing the GB to migrate in the opposite direction under the same applied shear stress. This could be important in the microstructural evolution of polycrystalline W under the harsh radiation environment in a fusion reactor, in which high internal stresses are present and frequent collision cascades generate interstitials and vacancies.

  16. Comparison of Deferoxamine, Activated Charcoal, and Vitamin C in Changing the Serum Level of Fe in Iron Overloaded Rats

    Directory of Open Access Journals (Sweden)

    Reza Ghafari

    2014-02-01

    Full Text Available Background: Iron is an essential mineral for normal cellular physiology but its overload can lead to cell injury. For many years, deferoxamine injection has been used as an iron chelator for treatment of iron overload. The aim of this study is to compare oral deferoxamine, activated charcoal, and vitamin C, as an absorbent factor of Fe, in changing the serum level of iron in iron overload rats. Methods: In this experimental study, all groups were administered 150 mg iron dextran orally by gavage. After eight hours, rats in the first group received oral deferoxamine while those in the second and third groups received oral activated charcoal 1 mg/kg and oral vitamin C 150 mg, respectively. Then, serum levels of iron ware measured in all rats. Results: The mean serum level of iron in rats that received oral deferoxamine was 258.11±10.49 µg/dl, whereas mean levels of iron in charcoal and vitamin C groups were 380.88±11.21 µg/dl and 401.22±13.28 µg/dl, respectively. None of the measurements were within safety limits of serum iron. Conclusion: It seems that oral deferoxamine per se may not help physicians in the management of cases presented with iron toxicity. Activated charcoal did not reduce serum iron significantly in this study and further investigations may be warranted to assess the potential clinical utility of its mixture with oral deferoxamine as an adjunct in the clinical management of iron ingestions.

  17. Genome-scale comparison and constraint-based metabolic reconstruction of the facultative anaerobic Fe(III-reducer Rhodoferax ferrireducens

    Directory of Open Access Journals (Sweden)

    Daugherty Sean

    2009-09-01

    Full Text Available Abstract Background Rhodoferax ferrireducens is a metabolically versatile, Fe(III-reducing, subsurface microorganism that is likely to play an important role in the carbon and metal cycles in the subsurface. It also has the unique ability to convert sugars to electricity, oxidizing the sugars to carbon dioxide with quantitative electron transfer to graphite electrodes in microbial fuel cells. In order to expand our limited knowledge about R. ferrireducens, the complete genome sequence of this organism was further annotated and then the physiology of R. ferrireducens was investigated with a constraint-based, genome-scale in silico metabolic model and laboratory studies. Results The iterative modeling and experimental approach unveiled exciting, previously unknown physiological features, including an expanded range of substrates that support growth, such as cellobiose and citrate, and provided additional insights into important features such as the stoichiometry of the electron transport chain and the ability to grow via fumarate dismutation. Further analysis explained why R. ferrireducens is unable to grow via photosynthesis or fermentation of sugars like other members of this genus and uncovered novel genes for benzoate metabolism. The genome also revealed that R. ferrireducens is well-adapted for growth in the subsurface because it appears to be capable of dealing with a number of environmental insults, including heavy metals, aromatic compounds, nutrient limitation and oxidative stress. Conclusion This study demonstrates that combining genome-scale modeling with the annotation of a new genome sequence can guide experimental studies and accelerate the understanding of the physiology of under-studied yet environmentally relevant microorganisms.

  18. Investigation of the structural and hydrogenation properties of disordered Ti-V-Cr-Mo BCC solid solutions

    International Nuclear Information System (INIS)

    Raufast, C.; Planté, D.; Miraglia, S.

    2014-01-01

    Highlights: • Materials synthesis and structural analysis of selected compositions of TiVCr(Mo) bcc samples. • Extraction of the thermodynamics relevant parameters for hydride formation and dissociation state of Ti 0.3 V 1.7 Cr 0.7 Mo 0.3 sample. • Discussion of the hydrides practicability. - Abstract: Selected compositions in the Ti-Cr-V-Mo system (with the BCC structure-type) have been synthesized and characterized for structural (crystalline structure, solidification microstructure) and thermodynamic properties (equilibrium and reversible hydrogen storage capacity). We present as well the effect of co-melting with a so-called activating phase that results in a secondary phase development and a subsequent enhancement of the hydrogen sorption kinetics. Ageing properties and applicability of such materials for hybrid hydrogen storage systems are also discussed

  19. Impact of Intragranular Substructure Parameters on the Forming Limit Diagrams of Single-Phase B.C.C. Steels

    Directory of Open Access Journals (Sweden)

    Gérald Franz

    2013-11-01

    Full Text Available An advanced elastic-plastic self-consistent polycrystalline model, accounting for intragranular microstructure development and evolution, is coupled with a bifurcation-based localization criterion and applied to the numerical investigation of the impact of microstructural patterns on ductility of single-phase steels. The proposed multiscale model, taking into account essential microstructural aspects, such as initial and induced textures, dislocation densities, and softening mechanisms, allows us to emphasize the relationship between intragranular microstructure of B.C.C. steels and their ductility. A qualitative study in terms of forming limit diagrams for various dislocation networks, during monotonic loading tests, is conducted in order to analyze the impact of intragranular substructure parameters on the formability of single-phase B.C.C. steels.

  20. A unified relation for the solid-liquid interface free energy of pure FCC, BCC, and HCP metals

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, S. R.; Mendelev, M. I., E-mail: mendelev@ameslab.gov [Division of Materials Sciences and Engineering, Ames Laboratory, Ames, Iowa 50011 (United States)

    2016-04-14

    We study correlations between the solid-liquid interface (SLI) free energy and bulk material properties (melting temperature, latent heat, and liquid structure) through the determination of SLI free energies for bcc and hcp metals from molecular dynamics (MD) simulation. Values obtained for the bcc metals in this study were compared to values predicted by the Turnbull, Laird, and Ewing relations on the basis of previously published MD simulation data. We found that of these three empirical relations, the Ewing relation better describes the MD simulation data. Moreover, whereas the original Ewing relation contains two constants for a particular crystal structure, we found that the first coefficient in the Ewing relation does not depend on crystal structure, taking a common value for all three phases, at least for the class of the systems described by embedded-atom method potentials (which are considered to provide a reasonable approximation for metals).

  1. A first principles study of adhesion and electronic structure at Fe (110)/graphite (0001) interface

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yangzhen; Xing, Jiandong; Li, Yefei, E-mail: yefeili@126.com; Sun, Liang; Wang, Yong

    2017-05-31

    Highlights: • The surface energy of graphite (0001) and Fe (110) has been calculated and the number of layers of graphite slab and Fe slab has been estimated. • The work of adhesion of Fe (110)/graphite (0001) interface with different interfacial separation d{sub 0} (1.7–3 Å) has been systematically discussed. • The total electron density and electron density difference of Fe (110)/graphite (0001) are used to study the bonding characteristics. • The Interfacial energy and fracture toughness of Fe (110)/graphite (0001) are estimated. - Abstract: Using first–principles calculations, we discuss the bulk properties of bcc Fe and graphite and that of the surface, the work of adhesion, and the electronic structure of Fe (110)/graphite (0001) interface. In this study, the experimental results of the bulk properties of bcc Fe and graphite reveal that our adopted parameters are reliable. Moreover, the results of surface energy demonstrate that nine atomic layers of graphite (0001) and five atomic layers of Fe (110) exhibit bulk–like interiors. The lattice mismatch of Fe (110)/graphite (0001) interface is about 6%. The results also exhibit that the Fe atom residing on top of the second layer of graphite slab (HCP structure) is the preferred stacking sequence. The work of adhesion (W{sub ad}) of the optimized Fe/graphite interface of HCP structure is 1.36 J/m{sup 2}. Electronic structures indicate that the bonding characteristics are a mixture of covalent and ionic bonds in the HCP interface. Moreover, the magnetic moment of atoms at the interface was studied using the spin polarized density of states.

  2. Growth of a brittle crack (001) in 3D bcc iron crystal with a Cu nano-particle

    Czech Academy of Sciences Publication Activity Database

    Uhnáková, Alena; Machová, Anna; Hora, Petr; Červená, Olga

    2014-01-01

    Roč. 83, February (2014), s. 229-234 ISSN 0927-0256 R&D Projects: GA ČR GA101/09/1630 Institutional support: RVO:61388998 Keywords : brittle crack extension * 3D * mode I * bcc iron * Cu nano-particle * molecular dynamics * acoustic emission Subject RIV: JG - Metallurgy Impact factor: 2.131, year: 2014 http://www.sciencedirect.com/science/article/pii/S0927025613006575

  3. Spheroidization behavior of dendritic b.c.c. phase in Zr-based モ-phase composite

    Directory of Open Access Journals (Sweden)

    Sun Guoyuan

    2013-03-01

    Full Text Available The spheroidization behavior of the dendritic b.c.c. phase dispersed in a bulk metallic glass (BMG matrix was investigated through applying semi-solid isothermal processing and a subsequent rapid quenching procedure to a Zr-based モ-phase composite. The Zr-based composite with the composition of Zr56.2Ti13.8Nb5.0Cu6.9Ni5.6Be12.5 was prefabricated by a water-cooled copper mold-casting method and characterized by X-ray diffraction (XRD and scanning electron microscope (SEM. The results show that the composite consists of a glassy matrix and uniformly distributed fine dendrites of the モ-Zr solid solution with the body-centered-cubic (b.c.c. structure. Based on the differential scanning calorimeter (DSC examination results, and in view of the b.c.c. モ-Zr to h.c.p. メ-Zr phase transition temperature, a semi-solid holding temperature of 900 ìC was determined. After reheating the prefabricated composite to the semi-solid temperature, followed by an isothermal holding process at this temperature for 5 min, and then quenching the semi-solid mixture into iced-water; the two-phase microstructure composed of a BMG matrix and uniformly dispersed spherical b.c.c. モ-Zr particles with a high degree of sphericity was achieved. The present spheroidization transition is a thermodynamically autonomic behavior, and essentially a diffusion process controlled by kinetic factors; and the formation of the BMG matrix should be attributed to the rapid quenching of the semi-solid mixture as well as the large glass-forming ability of the remaining melt in the semi-solid mixture.

  4. 3D atomistic simulation of fatigue behavior of a ductile crack in bcc iron loaded in mode II

    Czech Academy of Sciences Publication Activity Database

    Uhnáková, Alena; Pokluda, J.; Machová, Anna; Hora, Petr

    2012-01-01

    Roč. 61, AUG 2012 (2012), s. 12-19 ISSN 0927-0256 R&D Projects: GA ČR(CZ) GAP108/10/0698 Institutional research plan: CEZ:AV0Z20760514 Keywords : fatigue * mode II * bcc iron * molecular dynamic simulations Subject RIV: JG - Metallurgy Impact factor: 1.878, year: 2012 http://www.sciencedirect.com/science/article/pii/S0927025612001929

  5. 3D atomistic simulation of fatigue behaviour of cracked single crystal of bcc iron loaded in mode III

    Czech Academy of Sciences Publication Activity Database

    Uhnáková, Alena; Pokluda, J.; Machová, Anna; Hora, Petr

    2011-01-01

    Roč. 33, č. 12 (2011), s. 1564-1573 ISSN 0142-1123 R&D Projects: GA ČR(CZ) GAP108/10/0698 Institutional research plan: CEZ:AV0Z20760514 Keywords : fatigue * mode III * bcc iron * molecular dynamic simulations Subject RIV: JG - Metallurgy Impact factor: 1.546, year: 2011 http://www.sciencedirect.com/science/article/pii/S0142112311001708

  6. Multi-scheme corrected dynamic-analogue prediction of summer precipitation in northeastern China based on BCC_CSM

    Science.gov (United States)

    Fang, Yihe; Chen, Haishan; Gong, Zhiqiang; Xu, Fangshu; Zhao, Chunyu

    2017-12-01

    Based on summer precipitation hindcasts for 1991-2013 produced by the Beijing Climate Center Climate System Model (BCC_CSM), the relationship between precipitation prediction error in northeastern China (NEC) and global sea surface temperature is analyzed, and dynamic-analogue prediction is carried out to improve the summer precipitation prediction skill of BCC_CSM, through taking care of model historical analogue prediction error in the real-time output. Seven correction schemes such as the systematic bias correction, pure statistical correction, dynamic-analogue correction, and so on, are designed and compared. Independent hindcast results show that the 5-yr average anomaly correlation coefficient (ACC) of summer precipitation is respectively improved from -0.13/0.15 to 0.16/0.24 for 2009-13/1991-95 when using the equally weighted dynamic-analogue correction in the BCC_CSM prediction, which takes the arithmetical mean of the correction based on regional average error and that on grid point error. In addition, probabilistic prediction using the results from the multiple correction schemes is also performed and it leads to further improved 5-yr average prediction accuracy.

  7. Dynamical feedback between synoptic eddy and low-frequency flow as simulated by BCC_CSM1.1(m)

    Science.gov (United States)

    Zhou, Fang; Ren, Hong-Li

    2017-11-01

    Since the interaction between atmospheric synoptic eddy (SE) (2-8 days) activity and low-frequency (LF) (monthly) flow (referred to as SELF) plays an essential role in generating and maintaining dominant climate modes, an evaluation of the performance of BCC_CSM1.1(m) in simulating the SE feedback onto the LF flow is given in this paper. The model captures well the major spatial features of climatological eddy vorticity forcing, eddy-induced growth rate, and patterns of SELF feedback for the climate modes with large magnitudes in cold seasons and small magnitudes in warm seasons for both the Northern and Southern Hemisphere. As in observations, the eddy-induced growth rate and SELF feedback patterns in the model also show positive SE feedback. Overall, the relationships between SE and LF flow show that BCC_CSM1.1(m) satisfactorily captures the basic features of positive SE feedback, which demonstrates the simulation skill of the model for LF variability. Specifically, such an evaluation can help to find model biases of BCC_CSM1.1(m) in simulating SE feedback, which will provide a reference for the model's application.

  8. Calculations of the IAEA-CRP-6 Benchmark Cases by Using the ABAQUS FE Model for a Comparison with the COPA Results

    International Nuclear Information System (INIS)

    Cho, Moon-Sung; Kim, Y. M.; Lee, Y. W.; Jeong, K. C.; Kim, Y. K.; Oh, S. C.

    2006-01-01

    The fundamental design for a gas-cooled reactor relies on an understanding of the behavior of a coated particle fuel. KAERI, which has been carrying out the Korean VHTR (Very High Temperature modular gas cooled Reactor) Project since 2004, is developing a fuel performance analysis code for a VHTR named COPA (COated Particle fuel Analysis). COPA predicts temperatures, stresses, a fission gas release and failure probabilities of a coated particle fuel in normal operating conditions. Validation of COPA in the process of its development is realized partly by participating in the benchmark section of the international CRP-6 program led by IAEA which provides comprehensive benchmark problems and analysis results obtained from the CRP-6 member countries. Apart from the validation effort through the CRP-6, a validation of COPA was attempted by comparing its benchmark results with the visco-elastic solutions obtained from the ABAQUS code calculations for the same CRP-6 TRISO coated particle benchmark problems involving creep, swelling, and pressure. The study shows the calculation results of the IAEA-CRP-6 benchmark cases 5 through 7 by using the ABAQUS FE model for a comparison with the COPA results

  9. Determinants of adherence to therapies among Malaysian women with breast cancer: MyBCC Cohort

    Directory of Open Access Journals (Sweden)

    Mao Li Cheng

    2017-12-01

    Full Text Available Background: Breast cancer therapies have been progressively advancing to improve the breast cancer survival over the last few decades. However, non-adherence to cancer treatments has shown to be associated with reduced treatment effectiveness, increased mortality, and increased health care costs. The aim of the study is to understand the determinants of adherence to therapies among Malaysian breast cancer patients. Methods: This was a secondary analysis of all newly diagnosed Malaysian breast cancer patients recruited into a prospective cohort study in Universiti Malaya Medical Centre, MyBCC cohort, from 1st February 2012 to 31st December 2015. The MyBCC cohort study has ethics approval, MEC number 896.150. The treatment options (surgery, chemotherapy, radiotherapy, and overall therapies, surgical options, socio-demographic characteristics, clinical signs and symptoms, traditional and complementary medicine, and psychosocial assessments were measured using Hospital Anxiety and Depression Scale (HADS and Multidimensional Scale of Perceived Social Support (MSPSS. Results: In total, 467 patients were analysed. The adherence to surgery was 93.8%, chemotherapy 87.7%, radiotherapy 89.1%, and overall therapies 65.8% respectively. Breast conserving surgery was associated with adherence to surgery compared to mastectomy (adjusted OR 5.48 [95% CI 1.00, 30.09], p = 0.034, radiotherapy (adjusted OR 5.44 [95% CI 1.17, 25.16], p = 0.030 and overall therapies (adjusted OR 2.45 [95% CI 1.04, 5.78], p = 0.041. Time from diagnosis to surgery of less than 60 days was associated with adherence to surgery (adjusted OR 49.98 [95% CI 8.47, 289.05], p less than 0.0001 and overall therapies (adjusted OR 9.38 [95% CI 1.26, 69.73], p = 0.029. Adherence to chemotherapy associated with no surgery (adjusted OR 0.15 [95% CI 0.03, 0.70], p = 0.016. Adherence to radiotherapy was associated with financial reimbursement (adjusted OR 4.34 [95% CI 1.03, 18.26], p = 0.045 and

  10. Evolution of structure, microstructure and hyperfine properties of nanocrystalline Fe50Co50 powders prepared by mechanical alloying

    International Nuclear Information System (INIS)

    Akkouche, K.; Guittoum, A.; Boukherroub, N.; Souami, N.

    2011-01-01

    Nanostructured Fe 50 Co 50 powders were prepared by mechanical alloying of Fe and Co elements in a vario-planetary high-energy ball mill. The structural properties, morphology changes and local iron environment variations were investigated as a function of milling time (in the 0-200 h range) by means of X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray analysis and 57 Fe Moessbauer spectroscopy. The complete formation of bcc Fe 50 Co 50 solid solution is observed after 100 h milling. As the milling time increases from 0 to 200 h, the lattice parameter decreases from 0.28655 nm for pure Fe to 0.28523 nm, the grain size decreases from 150 to 14 nm, while the meal level of strain increases from 0.0069% to 1.36%. The powder particle morphology at different stages of formation was observed by SEM. The parameters derived from the Moessbauer spectra confirm the beginning of the formation of Fe 50 Co 50 phase at 43 h of milling. After 200 h of milling the average hyperfine magnetic field of 35 T suggests that a disordered bcc Fe-Co solid solution is formed. - Highlights: → Nanostructured Fe 50 Co 50 powders were successfully prepared by mechanical alloying process. → Final average grain size value achieved after 200 h of milling was 14 nm. → For the longest milling time the majority of particle grains observed by SEM exhibits a round shape with small diameter.

  11. Low temperature study of mechanically alloyed Fe{sub 67.5}Ni{sub 32.5} Invar sample

    Energy Technology Data Exchange (ETDEWEB)

    Valenzuela, J.L. [Departamento de Física, Universidad del Valle, A. A. 25360, Cali (Colombia); Valderruten, J.F. [Departamento de Ingeniería, Universidad Cooperativa de Colombia, Bucaramanga (Colombia); Pérez Alcázar, G.A., E-mail: gpgeperez@gmail.com [Departamento de Física, Universidad del Valle, A. A. 25360, Cali (Colombia); Colorado, H.D. [Departamento de Física, Universidad del Valle, A. A. 25360, Cali (Colombia); Romero, J.J. [Instituto de Microelectrónica de Madrid, CNM, CSIC, C/Isaac Newton 8, Tres Cantos, 28760 Madrid (Spain); González, J.M. [Unidad Asociada ICMM-IMA, Apdo. 155, Las Rozas, 28230 Madrid (Spain); Greneche, J.M. [LUNAM, Université du Maine, Institut des Molécules et Matériaux du Mans, UMR CNRS 6283, 72085 Le Mans, Cedex 9 (France); Marco, J.F. [Instituto de Química-Física ' ' Rocasolano' ' , CSIC, C/Serrano 119, 28006 Madrid (Spain)

    2015-07-01

    The study at low temperatures of powder of the Invar alloy, Fe{sub 67.5}Ni{sub 32.5}, produced by mechanical alloying, shows that the sample presents two structural phases, the Fe–Ni BCC and the Fe–Ni FCC. The {sup 57}Fe Mössbauer spectra obtained in this sample at different temperatures were fitted considering two hyperfine magnetic field distributions. The first one having the larger mean field and only one peak (at ca. 35 T, varying with T), is associated with the BCC phase, and the second one, presenting several broad peaks (distributed between 10 and 35 T), is associated to the FCC phase. A singlet, which is associated to low spin Fe sites of the FCC phase, was also considered. The mean hyperfine magnetic field of the BCC phase increases monotonically as temperature decreases, while that of the FCC phase presents an anomaly near 75 K. The real part of the ac magnetic susceptibility temperature scans presents a peak whose position increases from 31 to 39 K, when the ac field frequency increases from 100 to 5000 Hz. These results permit to associate the detected anomaly to the occurrence of a reentrant spin glass transition. - Highlights: • XRD detect the BCC and FCC nanocrystalline phases in the Invar Fe{sub 67.5}Si{sub 32.5}. • Mössbauer spectra were fitted with two HMFDs and a singlet. • The MHMF and the isomer shift of the FCC structure present a kink near 61 K. • Magnetic susceptibility proved that this anomaly corresponds to a RSG- F transition. • The Invar composition of the MA Fe{sub 67.5}Si{sub 32.5} alloy presents the frustration phenomena.

  12. Pressure dependence of temperature variation of AC susceptibility for Fe{sub 50}Ni{sub 37}Mn{sub 13} and comparison to Fe{sub 68.1}Ni{sub 31.9}

    Energy Technology Data Exchange (ETDEWEB)

    Matsushita, M. [Department of Mechanical Engineering, Graduate School of Science and Engineering, Ehime University, 3-Bunkyocho, Matsuyama 790-8577 (Japan)], E-mail: matsushita@eng.ehime-u.ac.jp; Ogiyama, H. [Department of Mechanical Engineering, Graduate School of Science and Engineering, Ehime University, 3-Bunkyocho, Matsuyama 790-8577 (Japan); Ono, F. [Okayama University of Science, Okayama 700-0005 (Japan)

    2009-03-15

    Fe{sub 50}Ni{sub 37}Mn{sub 13}, which is a ferromagnetic alloy with FCC crystal structure, has been reported to show the Invar effect below the Curie temperature; however, this alloy shows a typical anti-Invar effect above the Curie temperature. In this paper, we discuss the pressure dependence of the temperature variation of the alternative current (AC) susceptibility at a frequency of 1 kHz for Fe{sub 50}Ni{sub 37}Mn{sub 13} at various pressures up to 7.5 GPa above 77 K; we then compare the results with those for Fe{sub 68.1}Ni{sub 31.9}, which were obtained in a previous study. Fe{sub 50}Ni{sub 37}Mn{sub 13} was in a ferromagnetic state throughout the entire pressure range measured. T{sub C} decreases in inverse proportion to the increasing pressure; dT{sub C}/dp and dln T{sub C}/dp for Fe{sub 50}Ni{sub 37}Mn{sub 13} are -26 K GPa{sup -1} and -0.07 GPa{sup -1}, respectively. Further, the temperature variation of the shape of the {chi}'-T curve for different pressures indicates continuous combining of magnetic interactions occurs at high pressures. These results are similar to those obtained for Fe{sub 68.1}Ni{sub 31.9}.

  13. Structural-Phase Low-Stability States of BCC-Intermetallic Compounds with APB Complexes

    Science.gov (United States)

    Potekaev, A. I.; Chaplygina, A. A.; Chaplygin, P. A.; Starostenkov, M. D.; Kulagina, V. V.; Klopotov, A. A.

    2018-02-01

    Using a mono-nickel aluminide (NiAl) as an example, the influence of APB complexes (a pair of shear APBs along the direction and a pair of APBs along the direction) on the low-stability pre-transitional states of BCC-intermetallic compounds is investigated by the Monte Carlo method. It is shown that in the region of the low-stability states of this compound the formation energy of a complex of thermal APBs is higher than that of a complex of shear APBs. The contribution of APBs into disordering is essential up to the structural-phase transformation temperature. The most significant factor for the long-range ordering in the system is the appearance of a defect in the form of an APB itself, while the differences in the APB types and planes of their occurrence do not so essentially affect the long-range order behavior with the temperature variations. A system with structural defects is obviously less ordered compared to a defect-free system. The presence of a defect in the form of an APB promotes disordering of the system at lower temperatures: the degree of ordering starts to decrease in the case of thermal APBs at a lower temperature compared to the case of shear APBs. In the NiAl alloy with a complex of APBs, the first distortions of the structural order invariably appear near the Al-Al boundary. In the alloy with a complex of shear APBs, the distortions of the structural order are observed only in the regions where the boundaries cross. The presence of antiphase boundaries affects the alloy stability during heating. It is shown that the process of disordering is accompanied by smearing of the boundaries and their faceting.

  14. Development of a new formulation of interferons (HEBERPAG for BCC treatment

    Directory of Open Access Journals (Sweden)

    Bello-Rivero I

    2013-12-01

    Full Text Available Purpose: This work is aimed to show briefly, the clinical development of a new pharmaceutical formulation of interferons for the treatment of basal cell carcinoma. Methods: A rationale design of the combination of IFN-α2b and -γ based in their anti-proliferative synergism on several tumors cell lines identified adequate proportions to be combined to obtain the best clinical results. The potential mechanism of antitumoral effect was studied by qPCR mRNA quantification. HEBERPAG (anti-proliferative synergistic combination of co-formulated recombinant interferons-α2b and –γ was used in clinical trials in adult patients with non-melanoma skin cancer. Trials were conducted after approval by the ethics review boards of the institutions participating in trials; and the patients gave their written informed consent to be enrolled in the studies and receive HEBERPAG. Results: HEBERPAG inhibits the proliferation of several tumor cell lines in vitro and in vivo. The combination has improved pharmacodinamic properties. Several clinical trials have demonstrated the efficacy of HEBERPAG in BCC, with excellent cosmetic effect and well tolerable, mild side effects. HEBERPAG was approved by State Control Center for Drug, Medical Equipment and Devises in Cuba, for the treatment of basal cell carcinoma of any subtype, size and localization, and adjuvant to other treatments, surgical or not. After 3-year follow-up, a recurrence rate of 0.03% was detected in treated patients. Conclusions: HEBERPAG is a novel formulation of IFNs, more potent than separated IFNs for the treatment of basal cell carcinoma, with more rapid and prolonged clinical effect and excellent cosmetic effect and safety profile.

  15. Void Growth and Coalescence in Dynamic Fracture of FCC and BCC Metals - Molecular Dynamics Study

    Science.gov (United States)

    Seppälä, Eira

    2004-03-01

    In dynamic fracture of ductile metals, the state of tension causes the nucleation of voids, typically from inclusions or grain boundary junctions, which grow and ultimately coalesce to form the fracture surface. Significant plastic deformation occurs in the process, including dislocations emitted to accommodate the growing voids. We have studied at the atomistic scale growth and coalescence processes of voids with concomitant dislocation formation. Classical molecular dynamics (MD) simulations of one and two pre-existing spherical voids initially a few nanometers in radius have been performed in single-crystal face-centered-cubic (FCC) and body-centered-cubic (BCC) lattices under dilational strain with high strain-rates. Million atom simulations of single void growth have been done to study the effect of stress triaxiality,^1 along with strain rate and lattice-structure dependence. An interesting prolate-to-oblate transition in the void shape in uniaxial expansion has been observed and quantitatively analyzed. The simulations also confirm that the plastic strain results directly from the void growth. Interaction and coalescence between two voids have been studied utilizing a parallel MD code in a seven million atom system. In particular, the movement of centers of the voids, linking of the voids, and the shape changes in vicinity of the other void are studied. Also the critical intervoid ligament distance after which the voids can be treated independently has been searched. ^1 E. T. Seppälä, J. Belak, and R. E. Rudd, cond-mat/0310541, submitted to Phys. Rev. B. Acknowledgment: This work was done in collaboration with Dr. James Belak and Dr. Robert E. Rudd, LLNL. It was performed under the auspices of the US Dept. of Energy at the Univ. of Cal./Lawrence Livermore National Laboratory under contract no. W-7405-Eng-48.

  16. Elastic properties of Ti-24Nb-4Zr-8Sn single crystals with bcc crystal structure

    International Nuclear Information System (INIS)

    Zhang, Y.W.; Li, S.J.; Obbard, E.G.; Wang, H.; Wang, S.C.; Hao, Y.L.; Yang, R.

    2011-01-01

    Research highlights: → The single crystals of Ti2448 alloy with the bcc crystal structure were prepared. → The elastic moduli and constants were measured by several resonant methods. → The crystal shows significant elastic asymmetry in tension and compression. → The crystal exhibits weak nonlinear elasticity with large elastic strain ∼2.5%. → The crystal has weak atomic interactions against crystal distortion to low symmetry. - Abstract: Single crystals of Ti2448 alloy (Ti-24Nb-4Zr-8Sn in wt.%) were grown successfully using an optical floating-zone furnace. Several kinds of resonant methods gave consistent Young's moduli of 27.1, 56.3 and 88.1 GPa and shear moduli of 34.8, 11.0 and 14.6 GPa for the , and oriented single crystals, and C 11 , C 12 and C 44 of 57.2, 36.1 and 35.9 GPa respectively. Uniaxial testing revealed asymmetrical elastic behaviors of the crystals: tension caused elastic softening with a large reversible strain of ∼4% and a stress plateau of ∼250 MPa, whereas compression resulted in gradual elastic stiffening with much smaller reversible strain. The crystals exhibited weak nonlinear elasticity with a large elastic strain of ∼2.5% and a high strength, approaching ∼20% and ∼30% of its ideal shear and ideal tensile strength respectively. The crystals showed linear elasticity with a small elastic strain of ∼1%. These elastic deformation characteristics have been interpreted in terms of weakened atomic interactions against crystal distortion to low crystal symmetry under external applied stresses. These results are consistent with the properties of polycrystalline Ti2448, including high strength, low elastic modulus, large recoverable strain and weak strengthening effect due to grain refinement.

  17. Strength anomaly in B2 FeAl single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimi, K.; Hanada, S.; Yoo, M.H. [Oak Ridge National Lab., TN (United States); Matsumoto, N. [Tohoku Univ. (Japan). Graduate School

    1994-12-31

    Strength and deformation microstructure of B2 Fe-39 and 48%Al single crystals (composition given in atomic percent), which were fully annealed to remove frozen-in vacancies, have been investigated at temperatures between room temperature and 1073K. The hardness of as-homogenized Fe-48Al is higher than that of as-homogenized Fe-39Al while after additional annealing at 698K the hardness of Fe-48Al becomes lower than that of Fe-39Al. Fe-39Al single crystals slowly cooled after homogenizing at a high temperature were deformed in compression as a function of temperature and crystal orientation. A peak of yield strength appears around 0.5T{sub m} (T{sub m} = melting temperature). The orientation dependence of the critical resolved shear stress does not obey Schmid`s law even at room temperature and is quite different from that of b.c.c. metals and B2 intermetallics at low temperatures. At the peak temperature slip transition from <111>-type to <001>-type is found to occur macroscopically and microscopically, while it is observed in TEM that some of the [111] dislocations decompose into [101] and [010] on the (1096I) plane below the peak temperature. The physical sources for the positive temperature dependence of yield stress of B2 FeAl are discussed based on the obtained results.

  18. First-principles investigation into the effect of Cr on the segregation of multi-H at the Fe Σ3 (1 1 1) grain boundary

    International Nuclear Information System (INIS)

    He, Bingling; Xiao, Wei; Hao, Wei; Tian, Zhixue

    2013-01-01

    First-principles calculations were carried out to investigate the effect of Cr on segregation of multiple H atoms in the Σ3 (1 1 1) grain boundary in bcc Fe. In the absence of Cr, four H atoms can be trapped at the interstitial site of the Fe grain boundary (areal density: 28 nm −2 ), and no H 2 molecules are formed. The presence of Cr, however, suppresses the segregation tendency of H and only two H atoms can be trapped at this grain boundary. Although the volume expansion associated with the segregation of Cr to the grain boundary promotes H segregation, such a booting effect is unable to remedy the repulsion of H resulted from charge density increase in the grain boundary core. As a consequence, Cr mitigates H aggregation at the Σ3 (1 1 1) grain boundary in bcc Fe

  19. Mechanical properties testing of several 800 MeV proton irradiated BCC metals and alloys

    International Nuclear Information System (INIS)

    Brown, R.D.; Wechsler, M.S.; Tschalaer, C.

    1986-01-01

    A spallation neutron source for the 600-MeV proton accelerator facility at the Swiss Institute for Nuclear Research (SIN) consists of a vertical cylinder filled with molten Pb-Bi. The proton beam enters the cylinder, passing upward through a window in contact with the Pb-Bi eutectic liquid. Investigations are underway at the 800-MeV proton accelerator at LAMPF to test the performance of candidate SIN window materials. Based on considerations of chemical compatibility with molten Pb-Bi, as well as radiation damage mechanisms, Fe, Ta, Fe-2.25Cr-1Mo, and Fe-12Cr-1Mo (Ht-9) were chosen as candidate materials. Sheet tensile samples were sealed inside capsules containing Pb-Bi and were proton-irradiated at LAMPF to two fluences, 4.8 and 54 x 10 23 p/m 2 . The beam current was approximately equal to the 1 mA anticipated for the upgraded SIN accelerator. Yield and ultimate strengths increased upon irradiation in all materials, while the ductility decreased. The pure metals, Ta and Fe, exhibited the greatest radiation hardening and embrittlement. The HT-9 alloy showed the smallest changes in strength and ductility

  20. Density functional theory studies of screw dislocation core structures in bcc metals

    DEFF Research Database (Denmark)

    Frederiksen, Søren Lund; Jacobsen, Karsten Wedel

    2003-01-01

    The core structures of (I 11) screw dislocations in bee metals are studied using density functional theory in the local-density approximation. For Mo and Fe, direct calculations of the core structures show the cores to be symmetric with respect to 180degrees rotations around an axis perpendicular...

  1. On the segregation behavior of tin and antimony at grain boundaries of polycrystalline bcc iron

    Czech Academy of Sciences Publication Activity Database

    Lejček, Pavel; Šandera, P.; Horníková, J.; Pokluda, J.; Godec, M.

    2016-01-01

    Roč. 363, Feb (2016), 140-144 ISSN 0169-4332 R&D Projects: GA ČR GAP108/12/0144 Institutional support: RVO:68378271 Keywords : grain boundary segregation * tin * antimony * Fe based alloy * AES quantification Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.387, year: 2016

  2. Magnetic Properties of Nanocrystalline Fe{sub x}Cu{sub 1-x} Alloys Prepared by Ball Milling

    Energy Technology Data Exchange (ETDEWEB)

    Yousif, A.; Bouziane, K., E-mail: bouzi@squ.edu.om; Elzain, M. E. [Sultan Qaboos University, Physics Department, College of Science (Oman); Ren, X.; Berry, F. J. [The Open University, Department of Chemistry (United Kingdom); Widatallah, H. M. [Sudan Atomic Energy Commission, Institute of Nuclear Research (Sudan); Al Rawas, A.; Gismelseed, A.; Al-Omari, I. A. [Sultan Qaboos University, Physics Department, College of Science (Oman)

    2004-12-15

    X-ray diffraction, Moessbauer and magnetization measurements were used to study Fe{sub x}Cu{sub 1-x} alloys prepared by ball-milling. The X-ray data show the formation of a nanocrystalline Fe-Cu solid solution. The samples with x{>=}0.8 and x{<=}0.5 exhibit bcc or fcc phase, respectively. Both the bcc and fcc phases are principally ferromagnetic for x{>=}0.2, but the sample with x=0.1 remains paramagnetic down to 78 K. The influence of the local environment on the hyperfine parameters and the local magnetic moment are discussed using calculations based on the discrete-variational method in the local density approximation.

  3. Comparison of a stoichiometric analysis of Fe3-delta O4 layers by magneto-optical Kerr spectroscopy with Mossbauer results

    NARCIS (Netherlands)

    Fontijn, WFJ; vanderHeijden, PAA; Voogt, FC; Hibma, T; vanderZaag, PJ

    The stoichiometry of a series of 300 Angstrom thick Fe3-deltaO4 layers grown by means of molecular beam epitaxy on MgO(100) has been investigated both by magneto-optical Ken spectroscopy and by Mossbauer spectroscopy, The layers consisted of a 200 Angstrom thick Fe3-deltaO4 layer grown with the

  4. Influence of atomic ordering on sigma phase precipitation of the Fe{sub 50}Cr{sub 50} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Vélez, G.Y., E-mail: g.y.velezcastillo@gmail.com [Universidad del Valle, Departamento de Física, A.A. 25360 Cali (Colombia); Instituto de Física, Universidad Autónoma de San Luis Potosí, avenida Manuel Nava 6, zona universitaria, 78290 San Luis Potosí, SLP México (Mexico); Pérez Alcázar, G.A. [Universidad del Valle, Departamento de Física, A.A. 25360 Cali (Colombia)

    2015-09-25

    Highlights: • σ-FeCr phase can be delayed when α-FeCr phase is ordered. • The formation of σ phase is favored by concentration gradients of α phase. • We determine the iron occupation number of the five sites of σ-Fe{sub 50}Cr{sub 50}. - Abstract: In this work we report a study of the kinetic of the formation of the σ-Fe{sub 50}Cr{sub 50} alloy which is obtained by heat treatment of α-FeCr samples with different atomic ordering. Two α-FeCr alloys were obtained, one by mechanical alloying and the other by arc-melting. Both alloys were heated at 925 K for 170 h and then quenched into ice water. Before heat treatment both alloys exhibit α-FeCr disordered structure with greater ferromagnetic behavior in the alloy obtained by mechanical alloying due to its higher atomic disorder. The sigma phase precipitation is influenced by the atomic ordering of the bcc samples: in the alloy obtained by mechanical alloying, the bcc phase is completely transformed into the σ phase; in the alloy obtained by melted the α–σ transformation is partial.

  5. Iron allocation in leaves of Fe-deficient cucumber plants fed with natural Fe complexes.

    Science.gov (United States)

    Zanin, Laura; Tomasi, Nicola; Rizzardo, Cecilia; Gottardi, Stefano; Terzano, Roberto; Alfeld, Matthias; Janssens, Koen; De Nobili, Maria; Mimmo, Tanja; Cesco, Stefano

    2015-05-01

    Iron (Fe) sources available for plants in the rhizospheric solution are mainly a mixture of complexes between Fe and organic ligands, including phytosiderophores (PS) and water-extractable humic substances (WEHS). In comparison with the other Fe sources, Fe-WEHS are more efficiently used by plants, and experimental evidences show that Fe translocation contributes to this better response. On the other hand, very little is known on the mechanisms involved in Fe allocation in leaves. In this work, physiological and molecular processes involved in Fe distribution in leaves of Fe-deficient Cucumis sativus supplied with Fe-PS or Fe-WEHS up to 5 days were studied combining different techniques, such as radiochemical experiments, synchrotron micro X-ray fluorescence, real-time reverse transcription polymerase chain reaction and in situ hybridization. In Fe-WEHS-fed plants, Fe was rapidly (1 day) allocated into the leaf veins, and after 5 days, Fe was completely transferred into interveinal cells; moreover, the amount of accumulated Fe was much higher than with Fe-PS. This redistribution in Fe-WEHS plants was associated with an upregulation of genes encoding a ferric(III) -chelate reductase (FRO), a Fe(2+) transporter (IRT1) and a natural resistance-associated macrophage protein (NRAMP). The localization of FRO and IRT1 transcripts next to the midveins, beside that of NRAMP in the interveinal area, may suggest a rapid and efficient response induced by the presence of Fe-WEHS in the extra-radical solution for the allocation in leaves of high amounts of Fe. In conclusion, Fe is more efficiently used when chelated to WEHS than PS and seems to involve Fe distribution and gene regulation of Fe acquisition mechanisms operating in leaves. © 2014 Scandinavian Plant Physiology Society.

  6. Room-temperature ferromagnetic transitions and the temperature dependence of magnetic behaviors in FeCoNiCr-based high-entropy alloys

    Science.gov (United States)

    Na, Suok-Min; Yoo, Jin-Hyeong; Lambert, Paul K.; Jones, Nicholas J.

    2018-05-01

    High-entropy alloys (HEAs) containing multiple principle alloying elements exhibit unique properties so they are currently receiving great attention for developing innovative alloy designs. In FeCoNi-based HEAs, magnetic behaviors strongly depend on the addition of alloying elements, usually accompanied by structural changes. In this work, the effect of non-magnetic components on the ferromagnetic transition and magnetic behaviors in equiatomic FeCoNiCrX (X=Al, Ga, Mn and Sn) HEAs was investigated. Alloy ingots of nominal compositions of HEAs were prepared by arc melting and the button ingots were cut into discs for magnetic measurements as functions of magnetic field and temperature. The HEAs of FeCoNiCrMn and FeCoNiCrSn show typical paramagnetic behaviors, composed of solid solution FCC matrix, while the additions of Ga and Al in FeCoNiCr exhibit ferromagnetic behaviors, along with the coexistence of FCC and BCC phases due to spinodal decomposition. The partial phase transition in both HEAs with the additions of Ga and Al would enhance ferromagnetic properties due to the addition of the BCC phase. The saturation magnetization for the base alloy FeCoNiCr is 0.5 emu/g at the applied field of 20 kOe (TC = 104 K). For the HEAs of FeCoNiCrGa and FeCoNiCrAl, the saturation magnetization significantly increased to 38 emu/g (TC = 703 K) and 25 emu/g (TC = 277 K), respectively. To evaluate the possibility of solid solution FCC and BCC phases in FeCoNiCr-type HEAs, we introduced a parameter of valence electron concentration (VEC). The proposed rule for solid solution formation by the VEC was matched with FeCoNiCr-type HEAs.

  7. Studies of magnetic properties of permalloy (Fe-30%Ni) prepared by SLM technology

    International Nuclear Information System (INIS)

    Zhang Baicheng; Fenineche, Nour-Eddine; Zhu Lin; Liao Hanlin; Coddet, Christian

    2012-01-01

    In the present study, a high permeability induction Fe-30%Ni alloy cubic bulk was prepared by the selective laser melting process. In order to reveal the microstructure effect on soft magnetic properties, the microstructure and magnetic properties of the Fe-30%Ni alloy were carefully investigated by scanning electron microscopy, X-ray diffraction and hysteresis measurements. The bcc-Fe (Ni) phase formation is identified by X-ray diffraction. Meanwhile, it was found that low bcc lattice parameter and high grain size could be obtained when high laser scanning velocity and low laser power were used. Moreover, the lowest value of coercivity is 88 A/m, and the highest value of saturation magnetization is 565 Am 2 /kg, which can be obtained at a low laser scanning velocity of 0.4 m/s and high laser power input at 110 W. - Highlights: → Proper Fe-30%Ni alloy (permalloy) using selective laser melting technology. → Microstructure of Fe-30%Ni alloy exhibits fine cellular structure of approximately 100 nm. → Magnetic properties can be controlled by laser parameter. → Lowest coercivity is 88 A/m and highest saturation magnetization is 565 Am 2 /kg.

  8. Electronic structure of disordered Fe-V alloys

    International Nuclear Information System (INIS)

    Krause, J.C.; Paduani, C.; Schaff, J.; Costa, M.I. Jr. da

    1998-01-01

    The first-principles discrete variational method is employed to investigate the electronic structure and local magnetic properties of disordered Fe-V alloys. The spin-polarized case is considered in the formalism of the local-spin-density approximation, with the exchange-correlation term of von Barth endash Hedin. The effect on the local magnetic properties of adding V atoms in the immediate neighborhood of iron atoms is investigated. The partial density of states, hyperfine field (H c ), magnetic moment (μ), and isomer shift are obtained for the central atom of the cluster. For the impurity V atom in the bcc iron host the calculated values for H c and μ are -203 kG and -0.86μ B , respectively. The isolated Fe atom in a bcc vanadium host exhibits a collapsed moment and acts as a receptor for electrons. In ordered alloys the calculations indicate also a vanishing moment at iron sites. copyright 1998 The American Physical Society

  9. Short-range order in Fe-based metallic glasses: Wide-angle X-ray scattering studies

    International Nuclear Information System (INIS)

    Babilas, Rafał; Hawełek, Łukasz; Burian, Andrzej

    2014-01-01

    The local atomic structure of the Fe 80 B 20 , Fe 70 Nb 10 B 20 and Fe 62 Nb 8 B 30 glasses prepared in the form of ribbons has been studied by wide-angle X-ray scattering. Structural information about the amorphous ribbons has been derived from analysis of the radial distribution functions using the least-squares curve-fitting method. The obtained structural parameters indicate that Fe–Fe, Fe–B, Fe–Nb and Nb–B contributions are involved in the near-neighbor coordination spheres. The possible similarities of the local atomic arrangement in the investigated glasses and the crystalline Fe 3 B, Fe 23 B 6 and bcc Fe structures are also discussed. - Graphical abstract: Pair distribution functions (a) and best-fit model and experimental radial distribution functions for Fe 80 B 20 (b), Fe 70 Nb 10 B 20 (c) and Fe 62 Nb 8 B 30 (d) metallic glasses. - Highlights: • The short-range ordering in the Fe-based metallic glasses is presented. • The results of RDF function have been analyzed using the least-squares method. • The Fe–Fe, Fe–B, Fe–Nb or Nb–B contributions are involved in coordination spheres. • The structural unit is distorted triangular prism containing B, Fe or Nb atoms. • Similarities of atomic arrangement in glassy and crystalline structures are discussed

  10. First principles calculations of thermodynamic and mechanical properties of high temperature bcc Ta-W and Mo-Ta alloys

    Energy Technology Data Exchange (ETDEWEB)

    Masuda-Jindo, K. [Department of Materials Science and Engineering, Tokyo Institute of Technology, Nagatsuta 4259, Midori-ku, Yokohama 226-8503 (Japan)], E-mail: kmjindo@issp.u-tokyo.ac.jp; Vu Van Hung; Hoa, N.T. [Department of Physics, Hanoi National Pedagogic University, km8 Hanoi-Sontay Highway, Hanoi (Viet Nam); Turchi, P.E.A. [Lawrence Livermore National Laboratory, PO Box 808, L-353 LLNL, Livermore, CA 94551 (United States)

    2008-03-06

    The thermodynamic quantities of high temperature metals and alloys are studied using the statistical moment method, going beyond the quasi-harmonic approximations. Including the power moments of the atomic displacements up to the fourth order, the Helmholtz free energies and the related thermodynamic quantities are derived explicitly in closed analytic forms. The configurational entropy term is taken into account by using the tetrahedron cluster approximation of the cluster variation method (CVM). The energetics of the binary (Ta-W and Mo-Ta) alloys are treated within the framework of the first-principles TB-LMTO (tight-binding linear muffin tin orbital) method coupled to CPA (coherent potential approximation) and GPM (generalized perturbation method). The equilibrium phase diagrams are calculated for the refractory Ta-W and Mo-Ta bcc alloys. In addition, the mechanical properties, i.e., temperature dependence of the elastic moduli C{sub 11}, C{sub 12} and C{sub 44} and those of the ideal tensile and shear strengths of the bcc Ta-W and Ta-Mo alloys have been also studied.

  11. A thermodynamic evaluation of the Fe-Nb system

    International Nuclear Information System (INIS)

    Srikanth, S.; Petric, A.

    1994-01-01

    An optimised set of thermodynamic functions consistent with the phase diagram was derived for the Fe-Nb system from information on phase equilibria and thermodynamic data available in the literature. The thermodynamic properties of the intermediate ε (Fe 2 Nb) phase were described using the sublattice model. A Redlich-Kister equation was used to describe the excess thermodynamic functions of the liquid, bcc and fcc phases. For the μ phase, the enthalpy of formation was estimated from Miedema's model. The interaction coefficients were evaluated using an optimisation procedure employing a conjugate gradient method. The phase diagram and the thermodynamic functions calculated from the evaluated parameters are in good agreement with experimental data. (orig.)

  12. Microstructure and Magnetic Properties of Fe and Fe-alloy Thin Films Epitaxially Grown on MgO(100) Substrates

    International Nuclear Information System (INIS)

    Matsubara, Katsuki; Ohtake, Mitsuru; Futamoto, Masaaki; Kirino, Fumiyoshi

    2011-01-01

    Fe, Fe 50 Co 50 , and Fe 80 Ni 20 (at. %) single-crystal films with the (100) bcc plane parallel to the substrate surface were prepared on MgO(100) single-crystals heated at 300 0 C by ultra high vacuum molecular beam epitaxy. The film growth mechanism, the film structure, and the magnetic properties were investigated. In-situ reflection high energy electron diffraction and X-ray diffraction analyses indicate that the strains in the films are very small though there are fairly large mismatches of -3.7∼-4.3% at the film/substrate interface. Cross-sectional high-resolution transmission electron microscopy shows that misfit dislocations are introduced in the film at the interface. Dislocations are also observed in the film up to around 10∼20 nm distance from the interface. The presence of such dislocation relieves the strain caused by the lattice mismatch. The in-plane magnetization properties of these films reflect the magnetocrystalline anisotropies of respective bulk Fe, Fe 50 Co 50 , and Fe 80 Ni 20 crystals.

  13. Surface damage in TEM thick α-Fe samples by implantation with 150 keV Fe ions

    International Nuclear Information System (INIS)

    Aliaga, M.J.; Caturla, M.J.; Schäublin, R.

    2015-01-01

    We have performed molecular dynamics simulations of implantation of 150 keV Fe ions in pure bcc Fe. The thickness of the simulation box is of the same order of those used in in situ TEM analysis of irradiated materials. We assess the effect of the implantation angle and the presence of front and back surfaces. The number and type of defects, ion range, cluster distribution and primary damage morphology are studied. Results indicate that, for the very thin samples used in in situ TEM irradiation experiments the presence of surfaces affect dramatically the damage produced. At this particular energy, the ion has sufficient energy to damage both the top and the back surfaces and still leave the sample through the bottom. This provides new insights on the study of radiation damage using TEM in situ

  14. New structures of Fe3S for rare-earth-free permanent magnets

    Science.gov (United States)

    Yu, Shu; Zhao, Xin; Wu, Shunqing; Nguyen, Manh Cuong; Zhu, Zi-zhong; Wang, Cai-Zhuang; Ho, Kai-Ming

    2018-02-01

    We applied an adaptive genetic algorithm (AGA) to search for low-energy crystal structures of Fe3S. A number of structures with energies lower than that of the experimentally reported Pnma and I-4 structures have been obtained from our AGA searches. These low-energy structures can be classified as layer-motif and column-motif structures. In the column-motif structures, Fe atoms self-assemble into rods with a bcc type of underlying lattice, which are separated by the holes terminated by S atoms. In the layer-motif structures, the bulk Fe is broken into slabs of several layers passivated by S atoms. Magnetic property calculations showed that the column-motif structures exhibit reasonably high uniaxial magnetic anisotropy. In addition, we examined the effect of Co doping to Fe3S and found that magnetic anisotropy can be enhanced through Co doping.

  15. Comparison study on photocatalytic oxidation of pharmaceuticals by TiO{sub 2}-Fe and TiO{sub 2}-reduced graphene oxide nanocomposites immobilized on optical fibers

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Lu; Wang, Huiyao, E-mail: huiyao@nmsu.edu; Jiang, Wenbin; Mkaouar, Ahmed Radhi; Xu, Pei, E-mail: pxu@nmsu.edu

    2017-07-05

    Highlights: • Incorporating rGO or Fe{sup 3+} ions in TiO{sub 2} photocatalyst could enhance photocatalysis. • TiO{sub 2}-rGO exhibited higher photocatalytic activity under UV irradiation. • TiO{sub 2}-Fe demonstrated more suitable for visible light irradiation. • Reduced recombination rate contributed to enhanced photocatalysis of TiO{sub 2}-rGO. • Narrower band gap accounted for increased photocatalytic activity of TiO{sub 2}-Fe. - Abstract: Incorporating reduced graphene oxide (rGO) or Fe{sup 3+} ions in TiO{sub 2} photocatalyst could enhance photocatalytic degradation of organic contaminants in aqueous solutions. This study characterized the photocatalytic activities of TiO{sub 2}-Fe and TiO{sub 2}-rGO nanocomposites immobilized on optical fibers synthesized by polymer assisted hydrothermal deposition method. The photocatalysts presented a mixture phase of anatase and rutile in the TiO{sub 2}-rGO and TiO{sub 2}-Fe nanocomposites. Doping Fe into TiO{sub 2} particles (2.40 eV) could reduce more band gap energy than incorporating rGO (2.85 eV), thereby enhancing utilization efficiency of visible light. Incorporating Fe and rGO in TiO{sub 2} decreased significantly the intensity of TiO{sub 2} photoluminescence signals and enhanced the separation rate of photo-induced charge carriers. Photocatalytic performance of the synthesized nanocomposites was measured by the degradation of three pharmaceuticals under UV and visible light irradiation, including carbamazepine, ibuprofen, and sulfamethoxazole. TiO{sub 2}-rGO exhibited higher photocatalytic activity for the degradation of pharmaceuticals under UV irradiation, while TiO{sub 2}-Fe demonstrated more suitable for visible light oxidation. The results suggested that the enhanced photocatalytic performance of TiO{sub 2}-rGO could be attributed to reduced recombination rate of photoexcited electrons-hole pairs, but for TiO{sub 2}-Fe nanocomposite, narrower band gap would contribute to increased photocatalytic

  16. Creep properties of annealed Zr-Nb-O and stress-relieved Zr-Nb-Sn-Fe cladding tubes and their performance comparison

    International Nuclear Information System (INIS)

    Ko, S.; Hong, S.I.; Kim, K.T.

    2010-01-01

    Creep properties of annealed Zr-Nb-O and stress-relieved Zr-Nb-Sn-Fe cladding tubes were studied and compared. The creep rates of the annealed Zr-Nb-O alloy were found to be greater than those of the stress-relieved Zr-Nb-Sn-Fe alloy. Zr-Nb-O alloy was found to have stress exponents of 5-7 independent of stress level whereas Zr-Nb-Sn-Fe alloy exhibited the transition of the stress exponent from 6.5 to 7.5 in the lower stress region to ∼4.2 in the higher stress region. The reduction of stress exponent at high stresses in Zr-Nb-Sn-Fe can be explained in terms of the dynamic solute-dislocation effect caused by Sn atoms. The constancy of stress exponent without the transition was observed in Zr-Nb-O alloy, supporting that the decrease of the stress exponent with increasing stress in Zr-Nb-Sn-Fe is associated with Sn atoms. The difference of creep life between annealed Zr-Nb-O and stress-relieved Zr-Nb-Sn-Fe is not large considering the large difference of strength level between annealed Zr-Nb-O and annealed stress-relieved Zr-Nb-Sn-Fe. The better-than-expected creep life of annealed Zr-Nb-O alloy can be attributable to the combined effects of creep ductility enhancement associated with softening and the decreased contribution of grain boundary diffusion due to the increased grain size.

  17. Comparison study on photocatalytic oxidation of pharmaceuticals by TiO2-Fe and TiO2-reduced graphene oxide nanocomposites immobilized on optical fibers.

    Science.gov (United States)

    Lin, Lu; Wang, Huiyao; Jiang, Wenbin; Mkaouar, Ahmed Radhi; Xu, Pei

    2017-07-05

    Incorporating reduced graphene oxide (rGO) or Fe 3+ ions in TiO 2 photocatalyst could enhance photocatalytic degradation of organic contaminants in aqueous solutions. This study characterized the photocatalytic activities of TiO 2 -Fe and TiO 2 -rGO nanocomposites immobilized on optical fibers synthesized by polymer assisted hydrothermal deposition method. The photocatalysts presented a mixture phase of anatase and rutile in the TiO 2 -rGO and TiO 2 -Fe nanocomposites. Doping Fe into TiO 2 particles (2.40eV) could reduce more band gap energy than incorporating rGO (2.85eV), thereby enhancing utilization efficiency of visible light. Incorporating Fe and rGO in TiO 2 decreased significantly the intensity of TiO 2 photoluminescence signals and enhanced the separation rate of photo-induced charge carriers. Photocatalytic performance of the synthesized nanocomposites was measured by the degradation of three pharmaceuticals under UV and visible light irradiation, including carbamazepine, ibuprofen, and sulfamethoxazole. TiO 2 -rGO exhibited higher photocatalytic activity for the degradation of pharmaceuticals under UV irradiation, while TiO 2 -Fe demonstrated more suitable for visible light oxidation. The results suggested that the enhanced photocatalytic performance of TiO 2 -rGO could be attributed to reduced recombination rate of photoexcited electrons-hole pairs, but for TiO 2 -Fe nanocomposite, narrower band gap would contribute to increased photocatalytic activity. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Nonlinear elastic effects in phase field crystal and amplitude equations: Comparison to ab initio simulations of bcc metals and graphene

    Czech Academy of Sciences Publication Activity Database

    Hüter, C.; Friák, Martin; Weikamp, M.; Neugebauer, J.; Goldenfeld, N.; Svendsen, B.; Spatschek, R.

    2016-01-01

    Roč. 93, č. 21 (2016), 214105-1-214105-14 ISSN 2469-9950 Institutional support: RVO:68081723 Keywords : DENSITY-FUNCTIONAL THEORY Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016

  19. Effect of high magnetic field on structure and magnetic properties of evaporated crystalline and amorphous Fe-Sm thin films

    Energy Technology Data Exchange (ETDEWEB)

    Li, Guojian [Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education), Northeastern University, Shenyang 110819 (China); School of Metallurgy, Northeastern University, Shenyang 110819 (China); Li, Mengmeng; Wang, Jianhao; Du, Jiaojiao; Wang, Kai [Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education), Northeastern University, Shenyang 110819 (China); Wang, Qiang, E-mail: wangq@mail.neu.edu.cn [Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education), Northeastern University, Shenyang 110819 (China); School of Metallurgy, Northeastern University, Shenyang 110819 (China)

    2017-02-01

    Crystalline and amorphous Fe-Sm thin films have been fabricated by using molecular beam vapor deposition method. Then, the effects of both variation of Sm content and application of high magnetic field during film growth on the structure and magnetic properties of the Fe-Sm films have been explored. The results show that bcc structure of the Fe-Sm films with 5.8% Sm transforms to amorphization with 33.0% Sm. Meanwhile, nanocrystallite is formed in the amorphous Fe-Sm films. However, no Fe-Sm compound exists with the change of Sm content and with the application of high magnetic field. Nevertheless, high magnetic field decreases interplanar spacing. The structural evolution has a significant effect on magnetic properties. Saturation magnetization decreases 290% from 1456 emu/cm{sup 3} to 373 emu/cm{sup 3} with the increase of Sm content from 5.8% to 33.0%. The coercivity increases 1225% from 20 Oe to 265 Oe. Meanwhile, both the saturation magnetization and coercivity of the films decrease with the application of high magnetic field. The reason has been discussed. - Highlights: • Bcc structure of Fe-Sm film with 5.8% Sm transforms to amorphization with 33.0% Sm. • M{sub S} decreases 290% to 373 emu/cm{sup 3} with increasing Sm content from 5.8% to 33.0%. • Coercivity increases 1225% to 265 Oe when bcc structure transforms to amorphization. • Both M{sub S} and coercivity are decreased with the application of high magnetic field.

  20. Microstructural and magnetic characterization of iron precipitation in Ni-Fe-Al alloys

    International Nuclear Information System (INIS)

    Duman, Nagehan; Mekhrabov, Amdulla O.; Akdeniz, M. Vedat

    2011-01-01

    The influence of annealing on the microstructural evolution and magnetic properties of Ni 50 Fe x Al 50-x alloys for x = 20, 25, and 30 has been investigated. Solidification microstructures of as-cast alloys reveal coarse grains of a single B2 type β-phase and typical off eutectic microstructure consisting of proeutectic B2 type β dendrites and interdendritic eutectic for x = 20 and x > 20 at.% Fe respectively. However, annealing at 1073 K results in the formation of FCC γ-phase particles along the grain boundaries as well as grain interior in x = 20 at.% Fe alloy. The volume fraction of interdentritic eutectic regions tend to decrease and their morphologies start to degenerate by forming FCC γ-phase for x > 20 at.% Fe alloys with increasing annealing temperatures. Increasing Fe content of alloys induce an enhancement in magnetization and a rise in the Curie transition temperature (T C ). Temperature scan magnetic measurements and transmission electron microscopy reveal that a transient rise in the magnetization at temperatures well above the T C of the alloys would be attributed to the precipitation of a nano-scale ferromagnetic BCC α-Fe phase. Retained magnetization above the Curie transition temperature of alloy matrix, together with enhanced room temperature saturation magnetization of alloys annealed at favorable temperatures support the presence of ferromagnetic precipitates. These nano-scale precipitates are shown to induce significant precipitation hardening of the β-phase in conjunction with enhanced room temperature saturation magnetization in particular when an annealing temperature of 673 K is used. - Research Highlights: → Evolution of microstructure and magnetic properties with varying Fe content. → Transient rise in magnetization via the formation of ferromagnetic phase. → Enhancements in saturation magnetization owing to precipitated ferromagnetic phase. → Nanoscale precipitation of ferromagnetic BCC α-Fe confirmed by TEM.

  1. Crystallite size effect on the monoclinic deformation of the bcc crystal structure of chromium

    Science.gov (United States)

    Przeniosło, R.; Fabrykiewicz, P.; Sosnowska, I.; Wardecki, D.; Sławiński, W. A.; Playford, H. Y.; Hempelmann, R.; Bukowski, M.

    2018-02-01

    The modulated spin density wave magnetic orderings observed in chromium suggests that the crystal structure of chromium cannot be described by the cubic space group Im 3 bar m. Our experimental studies of polycrystalline and nanocrystalline chromium by synchrotron radiation (SR) and neutron powder diffraction show a hkl-dependent Bragg peak broadening which can be interpreted by the low-symmetry monoclinic space group P21 / n instead of the high symmetry cubic space group Im 3 bar m. The monoclinic angle is βm = 90.05(1)° and 90.29(1)° for polycrystalline Cr and nanocrystalline Cr, respectively. The relative monoclinic distortion observed in chromium is 5 times larger than those reported for several oxides: BiFeO3, α-Fe2O3, Cr2O3 and calcite. The symmetry of the magnetic transverse spin density wave (TSDW) and the longitudinal spin density wave (LSDW) observed in Cr are described by using the superspace groups P21 / n(0 β 0) 00 and P 21‧ /n‧(0 β 0) 00, respectively. These superspace groups describe both the magnetic modulations and the atomic position modulations reported in the literature. The monoclinic symmetry of chromium is a robust effect which is observed in the paramagnetic as well as in the TSDW and LSDW phases.

  2. Interaction of Fe(II) with Polyacrylic Acid as a Simplification of Humic Acid: Comparison of Ion Exchange and Solvent Extraction Methods

    International Nuclear Information System (INIS)

    Budi Setiawan

    2007-01-01

    To estimate the safety assessment around the disposal facility, the interaction behavior of radionuclides/metal ions into organic material (such as humic acids) exist in natural water becomes an important study. To avoid the effect of heterogeneous composition of humic acid, polyacrylic acids (abbrev. APA) was used as are representative of homogeneous polymeric weak acid. The experiments have been carried out by solvent extraction and ion exchange methods to find out the suitable method for the study of complex formation of Fe(II) with humic acid(AH) and APA. The solvent extraction experiment has been done by using diphenylthiocarbazone (dithizone) in CCl 4 and C Fe(II) were 10 -8 M to 10 -5 M, pH around 5 and I=0.1M NaCI. In ionic exchange experiment, C Fe(II) were 10 -8 to 10 -4 M, pH from 4.8 to 5.5 in I=0.1M NaCl. The apparent complex formation constant is defined as β α = [ML]/([M][R]), where [M] and [ML] are concentration of free and bound of Fe(II) and [R] is the concentration of dissociated carboxylic group in macromolecules of PAA. The results shown that, for solvent extraction experiments, variable concentration of Fe(II) had no appreciable influence on the distribution ratio of Fe(II)-polyacrylate at the tracer concentration with the log D to be 1.32 ± 0.03 (pcH 5.25). At macro concentration, the distribution ratio of Fe(II) becomes smaller due to oxidation and obtained log D value to be 1.04 ± 0.07 (pcH 5.34). An interest kind was observed at higher PAA concentration, the distribution ratio curve becomes higher presumably due to the problem on redox sensitive characteristic of Fe(II) and/or coagulation of Fe(II)-polyacrylate at the interface of aqueous-organic phases. In case of ionic exchange method, the plot of I/Kd versus [R] gives a straight line result indicating this method is appropriate and more superior compare than solvent extraction method to determine the complex formation constant. (author)

  3. Structure of Ag, Fe and Ge microclusters

    International Nuclear Information System (INIS)

    Montano, P.A.; Shenoy, G.K.; Schulze, W.

    1989-01-01

    The structures of Ag, Fe and Ge microclusters were determined using EXAFS. The measurements were performed over a wide range of clusters sizes. The clusters were prepared using the gas aggregation technique and isolated in solid argon at 4.2 K. The measurements were performed at the National Synchrotron Light Source (NSLS) at beam line X-18B. A strong contraction of the interatomic distances was observed for Ag dimers and multimers. Silver clusters larger than 12 A mean diameter show a small contraction of the nn distance and a structure consistent with an fcc lattice. By contrast clusters smaller than 12 A show the presence of a small expansion and a strong reduction or absence of nnn in the EXAFS signal. This points towards a different crystallographic structure for Ag microclusters with diameter less than 12 A. In iron clusters we observe a gradual reduction of the nn distance as the cluster size decreases. The interatomic distance for iron dimers was determined to be 1.94 A, in good agreement with earlier measurements. The iron microclusters show a bcc structure down to a mean diameter of 9 A. Iron clusters with 9 A mean diameter show a structure inconsistent with a bcc lattice. The new structure is consistent with an fcc or hcp lattice. The measurements on Ge clusters show the presence of only nearest neighbors. There was clear evidence of temporal annealing as determined by variations in the near edge structure of the K-absorption edge. Absorption edge measurements were also performed for free Ge clusters travelling perpendicular to the direction of the synchrotron radiation beam. The measurements performed on the free clusters were consistent with those obtained for matrix isolated clusters. (orig.)

  4. Ab initio calculations of mechanical properties of bcc W-Re-Os random alloys: effects of transmutation of W.

    Science.gov (United States)

    Li, Xiaojie; Schönecker, Stephan; Li, Ruihuan; Li, Xiaoqing; Wang, Yuanyuan; Zhao, Jijun; Johansson, Börje; Vitos, Levente

    2016-06-03

    To examine the effect of neutron transmutation on tungsten as the first wall material of fusion reactors, the elastic properties of W 1-x-y  Re x  Os y (0  ⩽  x, y  ⩽  6%) random alloys in body centered cubic (bcc) structure are investigated systematically using the all-electron exact muffin-tin orbitals (EMTO) method in combination with the coherent-potential approximation (CPA). The calculated lattice constant and elastic properties of pure W are consistent with available experiments. Both Os and Re additions reduce the lattice constant and increase the bulk modulus of W, with Os having the stronger effect. The polycrystalline shear modulus, Young's modulus and the Debye temperature increase (decrease) with the addition of Re (Os). Except for C 11 , the other elastic parameters including C 12 , C 44 , Cauchy pressure, Poisson ratio, B/G, increase as a function of Re and Os concentration. The variations of the latter three parameters and the trend in the ratio of cleavage energy to shear modulus for the most dominant slip system indicate that the ductility of the alloy enhances with increasing Re and Os content. The calculated elastic anisotropy of bcc W slightly increases with the concentration of both alloying elements. The estimated melting temperatures of the W-Re-Os alloy suggest that Re or Os addition will reduce the melting temperature of pure W solid. The classical Labusch-Nabarro model for solid-solution hardening predicts larger strengthening effects in W 1-y  Os y than in W 1-x  Re x . A strong correlation between C' and the fcc-bcc structural energy difference for W 1-x-y  Re x  Os y is revealed demonstrating that canonical band structure dictates the alloying effect on C'. The structural energy difference is exploited to estimate the alloying effect on the ideal tensile strength in the [0 0 1] direction.

  5. Structural and magnetic properties of NdFeB and NdFeB/Fe films with Mo addition

    Energy Technology Data Exchange (ETDEWEB)

    Urse, M; Grigoras, M; Lupu, N; Chiriac, H, E-mail: urse@phys-iasi.ro [National Institute of R and D for Technical Physics, 47 Mangeron Blvd., 700050 Iasi (Romania)

    2011-07-06

    The influence of the Mo addition on the microstructure and magnetic properties of Nd-Fe-B and Nd-Fe-B/Fe films was studied. The coercivity is a key parameter in the control of technical performances of Nd-Fe-B films. A small amount of about 1 at.% Mo can enhance the coercivity of Nd-Fe-B film by controlling the growth of soft and hard magnetic grains. A coercivity of 22.1 kOe, a remanence ratio, M{sub r}/M{sub s}, of 0.83 and a maximum energy product of 8 MGOe were obtained for Ta/[NdFeBMo(1at.%)(540nm)/Ta films annealed at 650{sup 0}C for 20 minutes due to Mo precipitates formed at the Nd{sub 2}Fe{sub 14}B phase boundaries which prevent the nucleation and expansion of the magnetic domains. Simultaneous use of Mo as addition and the stratification of Nd-Fe-B-Mo films using Fe as spacer layer are important tools for the improvement of the hard magnetic properties of Nd-Fe-B films. The Ta/[NdFeBMo(1at.%)(180nm)/Fe(1nm)]x3/Ta multilayer film annealed at 620{sup 0}C exhibits an increase in the coercivity from 12.1 kOe to 22.8 kOe, in the remanence ratio from 0.77 to 0.80, and in the maximum energy product from 4.5 to 7.1 MGOe in comparison with Ta/Nd-Fe-B/Ta film. As compared to Ta/Nd-Fe-B/Ta film, the Ta/[NdFeBMo(1at.%)(180nm)/Fe(1nm)]x3/Ta film presents a decrease in the crystallization temperature of about 30{sup 0}C.

  6. Beyond chemical accuracy: The pseudopotential approximation in diffusion Monte Carlo calculations of the HCP to BCC phase transition in beryllium.

    Energy Technology Data Exchange (ETDEWEB)

    Shulenburger, Luke [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mattsson, Thomas Kjell Rene [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Desjarlais, Michael Paul [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-01-01

    Motivated by the disagreement between recent diffusion Monte Carlo calculations of the phase transition pressure between the ambient and beta-Sn phases of silicon and experiments, we present a study of the HCP to BCC phase transition in beryllium. This lighter element provides an opportunity for directly testing many of the approximations required for calculations on silicon and may suggest a path towards increasing the practical accuracy of diffusion Monte Carlo calculations of solids in general. We demonstrate that the single largest approximation in these calculations is the pseudopotential approximation and after removing this we find excellent agreement with experiment for the ambient HCP phase and results similar to careful calculations using density functional theory for the phase transition pressure.

  7. A New Approach to Reducing Search Space and Increasing Efficiency in Simulation Optimization Problems via the Fuzzy-DEA-BCC

    Directory of Open Access Journals (Sweden)

    Rafael de Carvalho Miranda

    2014-01-01

    Full Text Available The development of discrete-event simulation software was one of the most successful interfaces in operational research with computation. As a result, research has been focused on the development of new methods and algorithms with the purpose of increasing simulation optimization efficiency and reliability. This study aims to define optimum variation intervals for each decision variable through a proposed approach which combines the data envelopment analysis with the Fuzzy logic (Fuzzy-DEA-BCC, seeking to improve the decision-making units’ distinction in the face of uncertainty. In this study, Taguchi’s orthogonal arrays were used to generate the necessary quantity of DMUs, and the output variables were generated by the simulation. Two study objects were utilized as examples of mono- and multiobjective problems. Results confirmed the reliability and applicability of the proposed method, as it enabled a significant reduction in search space and computational demand when compared to conventional simulation optimization techniques.

  8. Quantum statistics in the spin-lattice dynamics simulation of formation and migration of mono-vacancy in BCC iron

    Energy Technology Data Exchange (ETDEWEB)

    Wen, Haohua; Woo, C.H., E-mail: chung.woo@polyu.edu.hk

    2016-03-15

    Contributions from the vibrational thermodynamics of phonons and magnons in the dynamic simulations of thermally activated atomic processes in crystalline materials were considered within the framework of classical statistics in conventional studies. The neglect of quantum effects produces the wrong lattice and spin dynamics and erroneous activation characteristics, sometimes leading to the incorrect results. In this paper, we consider the formation and migration of mono-vacancy in BCC iron over a large temperature range from 10 K to 1400 K, across the ferro/paramagnetic phase boundary. Entropies and enthalpies of migration and formation are calculated using quantum heat baths based on a Bose–Einstein statistical description of thermal excitations in terms of phonons and magnons. Corrections due to the use of classical heat baths are evaluated and discussed.

  9. The influence of defects in B.C.C. iron on simulated low-energy displacement cascades

    International Nuclear Information System (INIS)

    Brumovsky, M.

    1975-01-01

    The effect of b.c.c. iron defects on radiation damage characteristics was studied by numerical integration of equations of motion of a large set of atoms. The following defects were chosen: vacancy, and split interstitials, and interstitial carbon atoms in octahedral position. Threshold energy for the carbon atom displacement was found to be strongly dependent on the direction of the knock-on, similarly as for the case of iron atoms. The lowest threshold energy (less than 3 eV) was found in the direction, the highest in the direction. Channelling of carbon atoms was only observed in the direction. Defects may also affect the dynamics of radiation damage processes mainly collision chains. Vacancies strongly affected collision chains in the and the directions which resulted in defocusation. Split interstitials, if not parallel to collision chains, practically stopped their propagation. The most marked effect was produced by interstitial carbon atoms: they slowed down rapidly all types of collision chains. (author)

  10. Momentum-dependent susceptibilities and magnetic exchange in bcc iron from supercell dynamical mean-field theory calculations

    Science.gov (United States)

    Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I.

    2017-08-01

    We analyze the momentum and temperature dependences of the magnetic susceptibilities and magnetic exchange interaction in paramagnetic bcc iron by a combination of density functional theory and dynamical mean-field theory (DFT+DMFT). By considering a general derivation of the orbital-resolved effective model for spin degrees of freedom for Hund's metals, we relate momentum-dependent susceptibilities in the paramagnetic phase to the magnetic exchange. We then calculate nonuniform orbital-resolved susceptibilities at high-symmetry wave vectors by constructing appropriate supercells in the DMFT approach. Extracting the irreducible parts of susceptibilities with respect to Hund's exchange interaction, we determine the corresponding orbital-resolved exchange interactions, which are then interpolated to the whole Brillouin zone. Using the spherical model we estimate the temperature dependence of the resulting exchange between local moments.

  11. On the critical temperature discontinuity at the theoretical bcc-fcc phase transition in compressed selenium and tellurium superconductors

    Science.gov (United States)

    Szczęśniak, D.; Wrona, I. A.; Drzazga, E. A.; Kaczmarek, A. Z.; Szewczyk, K. A.

    2017-11-01

    Recent hydrides-driven advent in the high-pressure phonon-mediated superconductivity motivates research on chemical elements which compound with hydrogen. It is desired that such elements should allow chemical pre-compression of hydrogen to assure the induction of the superconducting phase with the high transition temperature (T C). Herein, we present detailed theoretical insight into the properties of the superconducting state induced under pressure (p) in two of such component elements, namely selenium (Se) and tellurium (Te) at p=250 GPa and p=70 GPa, respectively. The assumed external pressure conditions allow us to conduct our analysis just above previously theoretically predicted bcc-fcc structural phase transition of Se and Te, and identify the possible associated discontinuity effect of the critical temperature. In particular, our numerical analysis is conducted within Migdal-Eliashberg formalism, due to the confirmed electron-phonon pairing mechanism and relatively high electron-phonon coupling constant in the materials of interest. We predict that T C values in Se and Te equal 8.13 K and 5.96 K, respectively, and mark the highest critical temperature values for these elements within the postulated fcc phase. Additionally, we supplement these results by the estimated maximum values of the superconducting energy band gap and the effective mass of electrons. We predict that all these parameters can be used as a guidelines for experimental observation of the critical temperature discontinuity and the corresponding bcc-fcc phase transition in Se and Te superconductors. Moreover, we show that the thermodynamics of superconducting phase in both elements may exhibit deviations from the conventional estimates of the Bardeen-Cooper-Schrieffer theory, and suggest existence of the strong-coupling and retardation effects. Finally, we note that our results can be also instructive for future screening of chemical elements for applications in superconducting hydrides.

  12. No effect of H2O degassing on the oxidation state of hydrous rhyolite magmas: a comparison of pre- and post-eruptive Fe2+ concentrations in six obsidian samples from the Mexican and Cascade arcs

    Science.gov (United States)

    Waters, L.; Lange, R. A.

    2011-12-01

    The extent to which degassing affects the oxidation state of arc magmas is widely debated. Several researchers have examined how degassing of mixed H-C-O-S-Cl fluids may change the Fe3+/FeT ratio of magmas, and it has been proposed that degassing may induce either oxidation or reduction depending on the initial oxidation state. A commonly proposed oxidation reaction is related to H2O degassing: H2O (melt) + 2FeO (melt) = H2 (fluid) + Fe2O3 (melt). Another mechanism by which H2O degassing can affect the iron redox state is if dissolved water affects the activity of ferrous and/or ferric iron in the melt. Although Moore et al. (1995) presented experiments showing no evidence of an affect of dissolved water on the activity of the ferric-ferrous ratio in silicate melts, other experimental results (e.g., Baker and Rutherford, 1996; Gaillard et al., 2001; 2003) indicate that there may be such an effect in rhyolite liquids. It has long been understood that rhyolites, owing to their low total iron concentrations, are more sensitive than other magma types to degassing-induced change in redox state. Therefore, a rigorous test of whether H2O degassing affects the redox state of arc magmas is best evaluated on rhyolites. In this study, a comparison is made between the pre-eruptive (pre-degassing) Fe2+ concentrations in six, phenocryst-poor (volatiles, as indicated by the low loss on ignition values (LOI ≤ 0.7 wt%). In order to test how much oxidation of ferrous iron occurred as a consequence of that degassing, we measured the ferrous iron concentration in the bulk samples by titration, using the Wilson (1960) method, which was successfully tested again three USGS and one Canadian Geological Survey standards. Our results indicate no detectable change within analytical error between pre- and post-eruptive FeO concentrations, with an average deviation of 0.09 wt% and a maximum deviation of 0.15 wt%. Our results show that H2O degassing has no effect on the redox state of

  13. Comparison of the Experimental and Predicted Data for Thermal Conductivity of Fe3O4/water Nanofluid Using Artificial Neural Networks

    Directory of Open Access Journals (Sweden)

    Reza Aghayari

    2016-07-01

    Full Text Available Objective(s: This study aims to evaluate and predict the thermal conductivity of iron oxide nanofluid at different temperatures and volume fractions by artificial neural network (ANN and correlation using experimental data. Methods: Two-layer perceptron feedforward artificial neural network and backpropagation Levenberg-Marquardt (BP-LM training algorithm are used to predict the thermal conductivity of the nanofluid. Fe3O4 nanoparticles are prepared by chemical co-precipitation method and thermal conductivity coefficient is measured using 2500TPS apparatus. Results: Fe3O4 nanofluids with particle size of 20-25 nm are used to test the effectiveness of ANN. Thermal conductivity of Fe3O4 /water nanofluid at different temperatures of 25, 30 and 35℃ and volume concentrations, ranging from 0.05% to 5% is employed as training data for ANN. The obtained results show that the thermal conductivity of Fe3O4 nanofluid increases linearly with volume fraction and temperature. Conclusions: the artificial neural network model has a reasonable agreement in predicting experimental data. So it can be concluded the ANN model is an effective method for prediction of the thermal conductivity of nanofluids and has better prediction accuracy and simplicity compared with the other existing theoretical methods.

  14. Efficient charge carriers induced by extra outer-shell electrons in iron-pnictides: a comparison between Ni- and Co-doped CaFeAsF

    International Nuclear Information System (INIS)

    Zhang Min; Yu Yi; Tan Shun; Zhang Yuheng; Zhang Changjin; Zhang Lei; Qu Zhe; Ling Langsheng; Xi, Chuanying

    2010-01-01

    A comprehensive study of the difference between CaFe 1-x Ni x AsF and CaFe 1-x Co x AsF systems has been carried out by measuring the efficient charge carrier concentration, the valence states and the superconducting phase diagram. It is found that at the same doping level, Ni doping introduces nearly twice the number of charge carriers as Co doping. However, x-ray absorption near-edge spectroscopy measurements reveal that the valence state of Fe in both systems is close to 2, indicating that there is no valence mismatch. We suggest that the charge carriers in CaFe 1-x M x AsF (M=transition metal elements) are not induced by valence mismatch but come from the difference in the number of outer-shell electrons. We also suggest that with Ni and Co doping, the systems change from a multi-band material in the underdoped regions to a single-band state in the overdoped regions.

  15. 3D atomistic studies of fatigue behaviour of edge crack (0 0 1) in bcc iron loaded in mode i and II

    Czech Academy of Sciences Publication Activity Database

    Machová, Anna; Pokluda, J.; Uhnáková, Alena; Hora, Petr

    2014-01-01

    Roč. 66, September (2014), s. 11-19 ISSN 0142-1123 R&D Projects: GA ČR(CZ) GAP108/10/0698 Institutional support: RVO:61388998 Keywords : fatigue crack growth * bcc iron * 3D atomistic simulations * molecular dynamics Subject RIV: JQ - Machines ; Tools Impact factor: 2.275, year: 2014 www.elsevier.com/locate/ijfatigue

  16. Dependence of phase configurations, microstructures and magnetic properties of iron-nickel (Fe-Ni) alloy nanoribbons on deoxidization temperature in hydrogen

    Science.gov (United States)

    Jing, Panpan; Liu, Mengting; Pu, Yongping; Cui, Yongfei; Wang, Zhuo; Wang, Jianbo; Liu, Qingfang

    2016-01-01

    Iron-nickel (Fe-Ni) alloy nanoribbons were reported for the first time by deoxidizing NiFe2O4 nanoribbons, which were synthesized through a handy route of electrospinning followed by air-annealing at 450 °C, in hydrogen (H2) at different temperatures. It was demonstrated that the phase configurations, microstructures and magnetic properties of the as-deoxidized samples closely depended upon the deoxidization temperature. The spinel NiFe2O4 ferrite of the precursor nanoribbons were firstly deoxidized into the body-centered cubic (bcc) Fe-Ni alloy and then transformed into the face-centered cubic (fcc) Fe-Ni alloy of the deoxidized samples with the temperature increasing. When the deoxidization temperature was in the range of 300 ~ 500 °C, although each sample possessed its respective morphology feature, all of them completely reserved the ribbon-like structures. When it was further increased to 600 °C, the nanoribbons were evolved completely into the fcc Fe-Ni alloy nanochains. Additionally, all samples exhibited typical ferromagnetism. The saturation magnetization (Ms) firstly increased, then decreased, and finally increased with increasing the deoxidization temperature, while the coercivity (Hc) decreased monotonously firstly and then basically stayed unchanged. The largest Ms (~145.7 emu·g−1) and the moderate Hc (~132 Oe) were obtained for the Fe-Ni alloy nanoribbons with a mixed configuration of bcc and fcc phases. PMID:27876878

  17. Thermomechanical behavior of Fe-Mn-Si-Cr-Ni shape memory alloys modified with samarium

    International Nuclear Information System (INIS)

    Shakoor, R.A.; Khalid, F. Ahmad

    2009-01-01

    The deformation and training behavior of Fe-14Mn-3Si-10Cr-5Ni (wt.%) shape memory alloys containing samarium addition has been studied in the iron-based shape memory alloys. It is noticed that thermomechanical treatment (training) has significant influence on proof stress, critical stress and shape memory behavior of the alloys. The improvement in shape memory behavior can be attributed to the decrease in the proof stress and critical stress which facilitates the formation of ε (hcp martensite). It is also observed that alloy 2 containing samarium undergoes less softening as compared to alloy 1 with training which inhibits the formation of α (bcc martensite) and thus enhances the shape memory behavior. The excessive thermomechanical treatment with increase in the training cycle has led to the formation of α (bcc martensite) along with ε (hcp martensite) in the alloy 1 which appeared to have decline in the shape memory effect. This has been demonstrated by the examination of microstructure and identification of α (bcc martensite) martensite in the alloy 1 as compared to alloy 2

  18. Dynamics of the HCP/BCC phase transition and of the diffusion in zirconium: a model based on a tight-binding potential

    International Nuclear Information System (INIS)

    Willaime, F.

    1991-09-01

    We have developed an N-body interatomic potential, based on the second moment approximation of the tight-binding scheme, by fitting its four adjustable parameters to the cohesive energy, atomic volume, and elastic constants of hcp-Zr. We then showed that various properties of this potential compare favorably with those of zirconium in both the low temperatures hcp phase and the high temperature bcc phase. Such is the case in particular for the elastic constants, the phonon dispersion curves, the thermal expansion, and the melting temperature. We reproduced by molecular dynamics (MD) simulations on this potential the hcp/bcc phase transformation in both ways. It indeed occurs following the mechanism predicted by Burgers. We find a vibrational entropy of transformation equal to 0.13 k B . Our calculations suggest that in real zirconium the electronic contribution to the transformation entropy is important. We show that some interatomic potential lead to a higher value of the vibrational entropy in the hcp phase than in the bcc phase. We specified the dynamics of the vacancy migration in the bcc phase. The atomic jumps are almost exclusively nearest neighbour ones. The walk of the vacancy becomes strongly correlated at high temperatures. The vacancy jump frequency is very large and has a perfectly arrhenian behaviour. There is no evicence of a dynamical lowering of the vacancy migration barrier: the static and dynamic values of the vacancy migration energy are almost equal, both being unusually small (0.3 eV). The self diffusion coefficent of our model for the vacancy mechanism reproduces an anomalous fast diffusion close to that measured experimentally in bcc-Zr. In our model at high temperatures the time interval between successive jumps is almost equal to the time of flight. The migration events will therefore influence the formation of the vacancies [fr

  19. Morphology and magnetism of Fe monolayers and small Fe{sub n} clusters (n 2-19) supported on the Ni(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Longo, R C [Departamento de Fisica de la Materia Condensada, Facultad de Fisica, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela (Spain); MartInez, E [Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, E-47011 Valladolid (Spain); Dieguez, O [Departamento de Fisica de la Materia Condensada, Facultad de Fisica, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela (Spain); Vega, A [Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, E-47011 Valladolid (Spain); Gallego, L J [Departamento de Fisica de la Materia Condensada, Facultad de Fisica, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela (Spain)

    2007-02-07

    Using the modified embedded atom model in conjunction with a self-consistent tight-binding method, we investigated the lowest-energy structures of Fe monolayers and isolated Fe{sub n} clusters (n = 2-19) supported on the Ni(111) surface. In keeping with experimental findings, our calculations predict that the atoms of the monolayer occupy face-centred cubic (fcc) rather than hexagonal close-packed (hcp) sites. Likewise in agreement with experiment we found that Fe layers stack with a pseudomorphic fcc structure up to two monolayers, beyond which they stack as bcc(110). The structures of supported Fe clusters are predicted to be two-dimensional islands maximizing the number of nearest-neighbour bonds among the adsorbed Fe atoms, and their average magnetic moments per atom decrease towards that of the supported Fe monolayer almost monotonically as n increases. Finally, a pair of Fe{sub 3} clusters on Ni(111) were found to exhibit virtually no interaction with each other even when separated by only one atomic row, i.e. so long as they do not coalesce they retain their individual magnetic properties.

  20. Atom probe study of B2 order and A2 disorder of the FeCo matrix in an Fe-Co-Mo-alloy.

    Science.gov (United States)

    Turk, C; Leitner, H; Schemmel, I; Clemens, H; Primig, S

    2017-07-01

    The physical and mechanical properties of intermetallic alloys can be tailored by controlling the degree of order of the solid solution by means of heat treatments. FeCo alloys with an appropriate composition exhibit an A2-disorder↔B2-order transition during continuous cooling from the disordered bcc region. The study of atomic order in intermetallic alloys by diffraction and its influence on the material properties is well established, however, investigating magnetic FeCo-based alloys by conventional methods such as X-ray diffraction is quite challenging. Thus, the imaging of ordered FeCo-nanostructures needs to be done with high resolution techniques. Transmission electron microscopy investigations of ordered FeCo domains are difficult, due to the chemical and physical similarity of Fe and Co atoms and the ferromagnetism of the samples. In this work it will be demonstrated, that the local atomic arrangement of ordered and disordered regions in an industrial Fe-Co-Mo alloy can be successfully imaged by atom probe measurements supported by field ion microscopy and transmission Kikuchi diffraction. Furthermore, a thorough atom probe parameter study will be presented and field evaporation artefacts as a function of crystallographic orientation in Fe-Co-samples will be discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Critical assessment of Cr-rich precipitates in neutron-irradiated Fe-12 at%Cr: Comparison of SANS and APT

    Science.gov (United States)

    Bergner, F.; Pareige, C.; Kuksenko, V.; Malerba, L.; Pareige, P.; Ulbricht, A.; Wagner, A.

    2013-11-01

    Neutron irradiation at 300 °C up to 0.6 dpa of an industrial purity Fe-12at%Cr alloy gives rise to the formation of Cr-rich precipitates of radii of about 1 nm. Small-angle neutron scattering (SANS) and atom probe tomography (APT) applied to the same material should reveal consistent characteristics of the irradiation-induced features. They roughly do so with respect to size and volume fraction, but they do not with respect to the composition of the precipitates or clusters. The discrepancy was expressed in terms of the Porod invariant of nuclear SANS. This quantity can be determined directly by integrating the measured nuclear difference scattering cross section or, alternatively, estimated from the APT results. Both estimates were compared taking into account all potential sources of deviation including error propagation. We have found that the deviation is significant and can be progressively removed by artificially reducing the Fe fraction in the Cr-rich clusters with respect to the measured value. A well-known effect of this kind is the different evaporation fields of Cr-rich clusters and the Fe-rich matrix and resulting ion trajectory overlaps in APT. State-of-the-art consideration of this effect indicates, however, that it is not sufficient to remove the observed discrepancy.

  2. Structural and magnetic properties of FeCoC system obtained by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Rincón Soler, A. I. [Universidad Tecnológica de Pereira, Fac. de Ciencias, Depto. de Física (Colombia); Rodríguez Jacobo, R. R., E-mail: rrrodriguez@uao.edu.co [Universidad Autónoma de Occidente, Fac. de Ciencias Básicas, Depto. de Física (Colombia); Medina Barreto, M. H.; Cruz-Muñoz, B. [Universidad Tecnológica de Pereira, Fac. de Ciencias, Depto. de Física (Colombia)

    2017-11-15

    Fe{sub 96−X}Co{sub X}C{sub 4} (x = 0, 10, 20, 30, 40 at. %) alloys were obtained by mechanical alloying of Fe, C and Co powders using high-energy milling. The structural and magnetic properties of the alloy system were analyzed by X-ray diffraction, Scanning Electron Microscopy (SEM), Vibrating Sample Magnetometer (VSM) and Mössbauer Spectrometry at room temperature. The X-ray diffraction patterns showed a BCC-FeCoC structure phase for all samples, as well as a lattice parameter that slightly decreases with Co content. The saturation magnetization and coercive field were analyzed as a function of Co content. The Mössbauer spectra were fitted with a hyperfine magnetic field distribution showing the ferromagnetic behavior and the disordered character of the samples. The mean hyperfine magnetic field remained nearly constant (358 T) with Co content.

  3. Low-temperature thermal expansion of metastable intermetallic Fe-Cr phases

    International Nuclear Information System (INIS)

    Gorbunoff, A.; Levin, A.A.; Meyer, D.C.

    2009-01-01

    The thermal expansion coefficients (TEC) of metastable disordered intermetallic Fe-Cr phases formed in thin Fe-Cr alloy films prepared by an extremely non-equilibrium method of the pulsed laser deposition are studied. The lattice parameters of the alloys calculated from the low-temperature wide-angle X-ray diffraction (WAXRD) patterns show linear temperature dependencies in the temperature range 143-293 K and a deviation from the linearity at lower temperatures. The linear thermal expansion coefficients determined from the slopes of the linear portions of the temperature-lattice parameter dependencies differ significantly from phase to phase and from the values expected for the body-centered cubic (b.c.c.) Fe 1-x Cr x solid solutions. Strain-crystallite size analysis of the samples is performed. Predictions about the Debye temperature and the mechanical properties of the alloys are made.

  4. Structural and magnetic properties of FeCoC system obtained by mechanical alloying

    International Nuclear Information System (INIS)

    Rincón Soler, A. I.; Rodríguez Jacobo, R. R.; Medina Barreto, M. H.; Cruz-Muñoz, B.

    2017-01-01

    Fe 96−X Co X C 4 (x = 0, 10, 20, 30, 40 at. %) alloys were obtained by mechanical alloying of Fe, C and Co powders using high-energy milling. The structural and magnetic properties of the alloy system were analyzed by X-ray diffraction, Scanning Electron Microscopy (SEM), Vibrating Sample Magnetometer (VSM) and Mössbauer Spectrometry at room temperature. The X-ray diffraction patterns showed a BCC-FeCoC structure phase for all samples, as well as a lattice parameter that slightly decreases with Co content. The saturation magnetization and coercive field were analyzed as a function of Co content. The Mössbauer spectra were fitted with a hyperfine magnetic field distribution showing the ferromagnetic behavior and the disordered character of the samples. The mean hyperfine magnetic field remained nearly constant (358 T) with Co content.

  5. X-Ray Absorption Fine Structure Study for Fe60Ni40 Alloy

    International Nuclear Information System (INIS)

    Yang, Dong-Seok; Oh, Kyuseung; Na, Wonkyung; Kim, Nayoung; Yoo, Yong-Goo; Min, Seung-Gi; Yu, Seong-Cho

    2007-01-01

    Fe60Ni40 alloys were fabricated by the mechanical alloying process with process periods of 1, 2, 4, 6, 12 and 24 hours, respectively. The formation of alloy and the structural evolution of the alloy were examined by X-ray diffraction and extended X-ray absorption fine structure methods. With increase of alloying time the BCC phase of iron was changed significantly during the mechanical alloying process. The alloying was activated in about 6 hours and completed in about 24 hours

  6. Magnetic Properties of Fe(001) Thin Films on GaAs(001) Deposited by RF Magnetron Sputtering

    International Nuclear Information System (INIS)

    Ikeya, Hirokazu; Takahashi, Yutaka; Inaba, Nobuyuki; Kirino, Fumiyoshi; Ohtake, Mitsuru; Futamoto, Masaaki

    2011-01-01

    Fe thin films, down to 6 nm thick, were prepared on GaAs(001) substrates by RF magnetron sputtering. The x-ray diffraction (XRD) analyses show that the epitaxial thin films of Fe(001) were grown with cube-on-cube orientation on GaAs(001). Magnetic properties were investigated by vibrating sample magnetometry (VSM) and ferromagnetic resonance (FMR) spectroscopy. The magnetization curves obtained by applying in-plane magnetic fields indicate that easy (hard) direction is along [100] ([110]) and the saturation magnetization is close to the bulk values. The in-plane magnetic anisotropy measured by FMR shows four-fold symmetry, as expected for bcc Fe. We did not observe the in-plane uniaxial magnetic anisotropy reported on the MBE-grown Fe films on GaAs substrates.

  7. Magnetic Properties and Microstructure of FeOx/Fe/FePt and FeOx/FePt Films

    Directory of Open Access Journals (Sweden)

    Jai-Lin Tsai

    2013-01-01

    Full Text Available The Fe(6 nm/FePt film with perpendicular magnetization was deposited on the glass substrate. To study the oxygen diffusion effect on the coupling of Fe/FePt bilayer, the plasma oxidation with 0.5~7% oxygen flow ratio was performed during sputtered part of Fe layer and formed the FeOx(3 nm/Fe(3 nm/FePt trilayer. Two-step magnetic hysteresis loops were found in trilayer with oxygen flow ratio above 1%. The magnetization in FeOx and Fe/FePt layers was decoupled. The moments in FeOx layer were first reversed and followed by coupled Fe/FePt bilayer. The trilayer was annealed again at 500°C and 800°C for 3 minutes. When the FeOx(3 nm/Fe(3 nm/FePt trilayer was annealed at 500°C, the layers structure was changed to FeOx(6 nm/FePt bilayer due to oxygen diffusion. The hard-magnetic FeOx(6 nm/FePt film was coupled with single switching field. The FeOx/(disordered FePt layer structure was observed with further annealing at 800°C and presented soft-magnetic loop. In summary, the coupling between soft-magnetic Fe, FeOx layer, and hard-magnetic L10 FePt layer can be controlled by the oxygen diffusion behavior, and the oxidation of Fe layer was tuned by the annealing temperature. The ordered L10 FePt layer was deteriorated by oxygen and became disordered FePt when the annealed temperature was up to 800°C.

  8. Properties of Ni{sub 1-x}Fe{sub x} (0.1 < x < 0.9) and Invar (x = 0.64) alloys obtained by electrodeposition

    Energy Technology Data Exchange (ETDEWEB)

    Tabakovic, Ibro, E-mail: ibro.m.tabakovic@seagate.co [Seagate Technology, 7801 Computer Avenue South, Bloomington, MN 55435 (United States); Inturi, Venkateswara; Thurn, Jeremy; Kief, Mark [Seagate Technology, 7801 Computer Avenue South, Bloomington, MN 55435 (United States)

    2010-09-01

    Electrodeposition of Ni{sub 1-x}Fe{sub x} (x = 0.1-0.9) films was carried out from a chloride plating solution containing saccharin as an organic additive at a constant current density (5 mA/cm{sup 2}) and a controlled pH of 2.5. X-ray diffraction studies revealed the existence of an fcc, or {gamma} phase, in the range of 10-58 wt.% Fe, a mixed fcc/bcc phase in the range of 59-60 wt.% Fe, and a bcc, or {alpha} phase in the range of 64-90 wt.% Fe. The saturation magnetization, B{sub s}, of electrodeposited Ni{sub 1-x}Fe{sub x} alloys at the room temperature was found to increase with the increase of Fe-content and follows the Slater-Pauling curve, but deviates from as-cast bulk NiFe alloys. The coefficient of thermal expansion, CTE, of electrodeposited alloys at room temperature also deviates from as-cast bulk NiFe alloys. Annealing of {alpha}-Ni{sub 36}Fe{sub 64} alloy results in a martensitic {alpha} {yields} {gamma} phase transformation, which takes place between 300 and 400 {sup o}C. It was demonstrated that thermal treatment above 400 {sup o}C was necessary to obtain magnetic and mechanical properties similar to those to conventional Invar alloy. Annealing of {alpha}-Ni{sub 36}Fe{sub 64} alloy at 700 {sup o}C brings about a decrease of B{sub s} from 1.75 to 0.45 T. By controlling the annealing conditions of {alpha} {yields} {gamma} martensitic transformation, it is possible to adjust the CTE of Ni{sub 36}Fe{sub 64} alloy over the broad limits from 2.7 to 8.7 x 10{sup -6}/{sup o}C.

  9. The anisotropic quantum spin-1/2 Heisenberg antiferromagnet in the presence of a longitudinal field on a bcc lattice

    Energy Technology Data Exchange (ETDEWEB)

    Neto, Minos A., E-mail: minos@pq.cnpq.br [Departamento de Fisica, Universidade Federal do Amazonas, 3000, Japiim, Manaus, 69077-000 AM (Brazil); Roberto Viana, J., E-mail: vianafisica@bol.com.br [Departamento de Fisica, Universidade Federal do Amazonas, 3000, Japiim, Manaus, 69077-000 AM (Brazil); Ricardo de Sousa, J., E-mail: jsousa@edu.ufam.br [Departamento de Fisica, Universidade Federal do Amazonas, 3000, Japiim, Manaus, 69077-000 AM (Brazil); National Institute of Science and Technology for Complex Systems, 3000, Japiim, Manaus, 69077-000 AM (Brazil)

    2012-08-15

    In this work we study the critical behavior of the quantum spin-1/2 anisotropic Heisenberg antiferromagnet in the presence of a longitudinal field on a body centered cubic (bcc) lattice as a function of temperature, anisotropy parameter ({Delta}) and magnetic field (H), where {Delta}=0 and 1 correspond the isotropic Heisenberg and Ising models, respectively. We use the framework of the differential operator technique in the effective-field theory with finite cluster of N=4 spins (EFT-4). The staggered m{sub s}=(m{sub A}-m{sub B})/2 and total m=(m{sub A}+m{sub B})/2 magnetizations are numerically calculated, where in the limit of m{sub s}{yields}0 the critical line T{sub N}(H,{Delta}) is obtained. The phase diagram in the T-H plane is discussed as a function of the parameter {Delta} for all values of H Element-Of [0,H{sub c}({Delta})], where H{sub c}({Delta}) correspond the critical field (T{sub N}=0). Special focus is given in the low temperature region, where a reentrant behavior is observed around of H=H{sub c}({Delta}){>=}H{sub c}({Delta}=1)=8J in the Ising limit, results in accordance with Monte Carlo simulation, and also was observed for all values of {Delta} Element-Of [0,1]. This reentrant behavior increases with increase of the anisotropy parameter {Delta}. In the limit of low field, our results for the Heisenberg limit are compared with series expansion values. - Highlights: Black-Right-Pointing-Pointer In the lat decade there has been a great interest in the physics of the quantum phase transition in spins system. Black-Right-Pointing-Pointer Effective-field theory in cluster with N=4 spins is generalized to treat the quantum spin-1/2 Heisenberg model. Black-Right-Pointing-Pointer We have obtained phase diagram at finite temperature for the quantum spin-1/2 antiferromagnet Heisenberg model as a bcc lattice.

  10. Converting hcp Mg-Al-Zn alloy into bcc Mg-Li-Al-Zn alloy by electrolytic deposition and diffusion of reduced lithium atoms in a molten salt electrolyte LiCl-KCl

    International Nuclear Information System (INIS)

    Lin, M.C.; Tsai, C.Y.; Uan, J.Y.

    2007-01-01

    A body-centered cubic (bcc) Mg-12Li-9Al-1Zn (wt.%) alloy was fabricated in air by electrolysis from LiCl-KCl molten salt at 500 deg. C. Electrolytic deposition of Li atoms on cathode (Mg-Al-Zn alloy) and diffusion of the Li atoms formed the bcc Mg-Li-Al-Zn alloy with 12 wt.% Li and only 0.264 wt.% K. Low K concentration in the bcc Mg alloy strip after the electrolysis process resulted from 47% atomic size misfit between K and Mg atoms and low solubility of K in Mg matrix

  11. Comparison of explicit calculations for n = 3 to 8 dielectronic satellites of the FeXXV Kα resonance line with experimental data from the Tokamak Fusion Test Reactor

    International Nuclear Information System (INIS)

    Decaux, V.; Bitter, M.; Hsuan, H.; Hill, K.W.; von Goeler, S.; Park, H.; Bhalla, C.P.

    1991-12-01

    Dielectronic satellite spectra of the FeXXV Kα resonance line observed from the Tokamak Fusion Test Reactor (TFTR) plasmas have been compared with recent explicit calculations for the n = 3 to 8 dielectronic satellites as well as the earlier theoretical predictions, which were based on the 1/n 3 scaling law for n > 4 satellites. The analysis has been performed by least-squares fits of synthetic spectra to the experimental data. The synthetic spectra constructed from both theories are in good agreement with the observed data. However, the electron temperature values obtained from the fit of the present explicit calculations are in better agreement with independent measurements. 20 refs., 4 figs

  12. Distinct configurations of antisite defects in ordered metal phosphates: comparison between LiMnPO4 and LiFePO4.

    Science.gov (United States)

    Chung, Sung-Yoon; Choi, Si-Young; Lee, Seongsu; Ikuhara, Yuichi

    2012-05-11

    By using a combination of aberration-corrected high-angle annular dark-field scanning transmission electron microscopy, ab initio density-functional theory calculations, and neutron powder diffraction techniques, We have found completely different configurations of the antisite exchange defects in LiMnPO4 and LiFePO4, with a random distribution of the exchange pairs without aggregation in the former and with zigzag-type clustering behavior preferred in the latter. Recalling the compositional analogy and identical crystal structure of the two metal phosphates, such unexpectedly distinct arrangement of the same type of point defects is a notable structural aspect.

  13. Production and Partial Characterization of α-Amylase Enzyme from Bacillus sp. BCC 01-50 and Potential Applications

    Directory of Open Access Journals (Sweden)

    Altaf Ahmed Simair

    2017-01-01

    Full Text Available Amylase is an industrially important enzyme and applied in many industrial processes such as saccharification of starchy materials, food, pharmaceutical, detergent, and textile industries. This research work deals with the optimization of fermentation conditions for α-amylase production from thermophilic bacterial strain Bacillus sp. BCC 01-50 and characterization of crude amylase. The time profile of bacterial growth and amylase production was investigated in synthetic medium and maximum enzyme titer was observed after 60 h. In addition, effects of different carbon sources were tested as a substrate for amylase production and molasses was found to be the best. Various organic and inorganic compounds, potassium nitrate, ammonium chloride, sodium nitrate, urea, yeast extract, tryptone, beef extract, and peptone, were used and beef extract was found to be the best among the nitrogen sources used. Temperature, pH, agitation speed, and size of inoculum were also optimized. Highest enzyme activity was obtained when the strain was cultured in molasses medium for 60 h in shaking incubator (150 rpm at 50°C and pH 8. Crude amylase showed maximal activity at pH 9 and 65°C. Enzyme remained stable in alkaline pH range 9-10 and 60–70°C. Crude amylase showed great potential for its application in detergent industry and saccharification of starchy materials.

  14. Comparison of the oxidation state of Fe in comet 81P/Wild 2 and chondritic-porous interplanetary dust particles

    Energy Technology Data Exchange (ETDEWEB)

    Ogliore, Ryan C.; Butterworth, Anna L.; Fakra, Sirine C.; Gainsforth, Zack; Marcus, Matthew A.; Westphal, Andrew J.

    2010-07-16

    The fragile structure of chondritic-porous interplanetary dust particles (CP-IDPs) and their minimal parent-body alteration have led researchers to believe these particles originate in comets rather than asteroids where aqueous and thermal alterations have occurred. The solar elemental abundances and atmospheric entry speed of CP-IDPs also suggest a cometary origin. With the return of the Stardust samples from Jupiter-family comet 81P/Wild 2, this hypothesis can be tested. We have measured the Fe oxidation state of 15 CP-IDPs and 194 Stardust fragments using a synchrotron-based x-ray microprobe. We analyzed {approx}300 ng of Wild 2 material - three orders of magnitude more material than other analyses comparing Wild 2 and CP-IDPs. The Fe oxidation state of these two samples of material are > 2{sigma} different: the CP-IDPs are more oxidized than the Wild 2 grains. We conclude that comet Wild 2 contains material that formed at a lower oxygen fugacity than the parent-body, or parent bodies, of CP-IDPs. If all Jupiter-family comets are similar, they do not appear to be consistent with the origin of CP-IDPs. However, comets that formed from a different mix of nebular material and are more oxidized than Wild 2 could be the source of CP-IDPs.

  15. Microstructure and compressive properties of AlCrFeCoNi high entropy alloy

    International Nuclear Information System (INIS)

    Wang, Y.P.; Li, B.S.; Ren, M.X.; Yang, C.; Fu, H.Z.

    2008-01-01

    An AlCrFeCoNi high entropy alloy was prepared by vacuum arc melting. Only diffraction peak corresponding to a BCC crystal structure is observed for this AlCrFeCoNi high entropy alloy. The microstructure of this AlCrFeCoNi alloy is polygonal grains with intragranular dendritic segregation. Dendritic segregation area is found to be Al, Ni rich and Cr, Fe deplete, while interdendritic segregation area is Cr, Fe rich and Al, Ni deplete. The distribution of Co is essentially identical. The fine microstructure of dendritic segregation area and of interdendritic segregation area is found to be nanoscale spherical precipitates morphology and basket-weave morphology, respectively. Results of EDS attached on high resolution scanning electron microscope (SEM) revealed that these morphological characteristics are also resulted from elements segregation. This AlCrFeCoNi high entropy alloy exhibits excellent compressive properties. The yield stress, compressive strength and plastic strain of the alloy reaches 1250.96, 2004.23 MPa, and 32.7%, respectively. The fracture mechanism of this AlCrFeCoNi high entropy alloy is observed as cleavage fracture and slip separation

  16. The effect of temperature on the structural and magnetic behaviour of Fe-Ni Invar alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kadziolka-Gawel, M; Zarek, W; Popiel, E, E-mail: mariolakadz@op.p [Institute of Physics, University of Silesia, 4 Uniwersytecka Str., 40-407 Katowice (Poland)

    2010-03-01

    The crystal structure and magnetic properties of polycrystalline Fe{sub 1-x}Ni{sub x} alloys with x = 0.30, 0.325 and 0.375 were investigated in the temperature range 20Kbcc ({alpha}) {yields} fcc ({gamma}) and in the second one fcc ({gamma}) {yields} fcc ({gamma}) with a lower lattice constant. It was found that below 700K the lattice constant of the {gamma} phase does not depend on temperature. The transition {alpha} {yields} {gamma} changes the local environment of the Fe atoms and affects the magnetic properties of the Fe-Ni alloys. The disappearance of the ferromagnetic order in {gamma}-Fe{sub 0.70}Ni{sub 0.30} alloy can be explained by the presence of Fe atoms in the low (0{mu}{sub B}) and high (2.8{mu}{sub B}) spin state. The Fe atoms with zero magnetic moment can destroy the long range magnetic order in the investigated Fe-Ni alloys.

  17. Is Focus on Prevention Missing in National Health Programs? A Situation Analysis of IEC/BCC/Health Promotion Activities in a District Setting of Punjab and Haryana.

    Science.gov (United States)

    Thakur, Jarnail Singh; Jaswal, Nidhi; Grover, Ashoo

    2017-01-01

    Health promotion (HP) has been an integral part of all national programs although it has been a low priority in India, which has resulted in a failure to achieve the desired results. Situation analysis of information education communication (IEC)/behavior change communication (BCC)/HP activities within the existing national health programs was undertaken in the district of Hoshiarpur in Punjab and the district of Ambala in Haryana during 2013-14. Facility-based assessments were done by conducting in-depth interviews with stakeholders, program officers, medical officers, health workers, and counselors. Household survey (332 individuals) and exit interview (102 interviews) were conducted to assess the knowledge of the community regarding key risk factors. There was a high vacancy in the mass media division with 40% (2 out of 5) and 89% (8 out of 9) of the sanctioned positions vacant in Hoshiarpur and Ambala, respectively, with low capacity of staff and budget. There was no annual calendar, logbook of activities with poor recording of IEC material received and disseminated. The knowledge of community members regarding key risk factors such as tobacco use, salt intake, blood pressure level, anemia, and tuberculosis was 77.3%, 26.4%, 16.4%, 32.7%, and 91.8%, respectively, in the district of Ambala as compared to 77.5%, 37.5%, 33.3%, 25.8%, and 88.3%, respectively, in the district of Hoshiarpur. The village health and sanitation committee (VHSC) in the district of Hoshiarpur and village level core committee (VLCC) in the district of Ambala were found to be nonfunctional with no Iec/Bcc activities in the covered villages in the last month. Monitoring and supervision of Iec/Bcc activities were poor in both the districts. Iec/Bcc/HP is a neglected area in national health programs in the selected districts with inadequate budget, human resources with poor implementation, and requires strengthening for better implementation of the national health programs.

  18. Multifunctional Fe3O4/Au core/satellite nanocubes: an efficient chemical synthesis, characterization and functionalization of streptavidin protein.

    Science.gov (United States)

    Abbas, Mohamed; RamuluTorati, Sri; Kim, CheolGi

    2017-02-14

    A novel and efficient chemical approach for the synthesis of Fe 3 O 4 /Au core/satellite nanocubes is reported. In a one-pot reaction, metallic Au nanodots were successfully deposited on the polyvinylpyrrolidone (PVP) functionalized Fe 3 O 4 nanocube surface for the fabrication of a core/satellite structure (Fe 3 O 4 /Au) by the reduction of HAuCl 4 using ammonia. Transmission electron microscopy and energy dispersive spectroscopy mapping revealed that small Au nanodots of about 2 nm average size decorated the surface of Fe 3 O 4 nanocubes. X-ray diffraction data was used to confirm the formation of both the phases of a cubic inverse spinel structure for Fe 3 O 4 and a bcc structure for Au in the core/satellite structure of Fe 3 O 4 /Au nanocubes. The magnetic properties of the seed Fe 3 O 4 nanocubes and Fe 3 O 4 /Au core/satellite nanocubes were measured by using a superconducting quantum interference device at 300 K. For biological application purposes, the as-synthesized Fe 3 O 4 /Au core/satellite nanocubes were functionalized by cysteamine followed by successful immobilization of streptavidin protein as confirmed through the fluorescence confocal microscopy images.

  19. A Mössbauer and magnetic study of ball milled Fe-doped ZnO Powders

    Energy Technology Data Exchange (ETDEWEB)

    Zamora, Ligia E., E-mail: ligia.zamora@correounivalle.edu.co; Paz, J. C.; Piamba, J. F.; Tabares, J. A.; Alcázar, G. A. Pérez [Universidad del Valle, Departamento de física (Colombia)

    2015-06-15

    The structural and magnetic properties of Fe-doped ZnO are reported in this study, as obtained by mechanical alloying from elemental powders of ZnO and Fe. The properties of Zn{sub 0.90}Fe{sub 0.10}O samples alloying while varying the milling time (6, 12, 24 and 36 h) are also reported. The Rietveld refinement of X-ray Diffraction (XRD) patterns revealed that the system presents two structures: the würtzite structure of ZnO and the bcc structure of α-Fe. The Mössbauer spectra show that the samples present three components: a ferromagnetic component, associated with the Fe phase and two paramagnetic components, associated with the Fe atoms, which penetrate inside the ZnO matrix behaving as Fe{sup 3+} and Fe{sup 2+}. The milling time contributes to an increase in the paramagnetic sites, and a solubility limit of the Fe atoms in the ZnO lattice was detected. The VSM measurements at room temperature detected ferromagnetic behavior with a saturation magnetization of 11 emu/g and a coercive field of 330 Oe for the sample alloyed over 24 h. A similar behavior was shown by the other samples.

  20. Analysis and diagnosis of basal cell carcinoma (BCC) via infrared imaging

    Science.gov (United States)

    Flores-Sahagun, J. H.; Vargas, J. V. C.; Mulinari-Brenner, F. A.

    2011-09-01

    In this work, a structured methodology is proposed and tested through infrared imaging temperature measurements of a healthy control group to establish expected normality ranges and of basal cell carcinoma patients (a type of skin cancer) previously diagnosed through biopsies of the affected regions. A method of conjugated gradients is proposed to compare measured dimensionless temperature difference values (Δ θ) between two symmetric regions of the patient's body, that takes into account the skin, the surrounding ambient and the individual core temperatures and doing so, the limitation of the results interpretation for different individuals become simple and nonsubjective. The range of normal temperatures in different regions of the body for seven healthy individuals was determined, and admitting that the human skin exhibits a unimodal normal distribution, the normal range for each region was considered to be the mean dimensionless temperature difference plus/minus twice the standard deviation of the measurements (Δθ±2σ) in order to represent 95% of the population. Eleven patients with previously diagnosed basal cell carcinoma through biopsies were examined with the method, which was capable of detecting skin abnormalities in all cases. Therefore, the conjugated gradients method was considered effective in the identification of the basal cell carcinoma through infrared imaging even with the use of a low optical resolution camera (160 × 120 pixels) and a thermal resolution of 0.1 °C. The method could also be used to scan a larger area around the lesion in order to detect the presence of other lesions still not perceptible in the clinical exam. However, it is necessary that a temperature differences mesh-like mapping of the healthy human body skin is produced, so that the comparison of the patient Δ θ could be made with the exact region of such mapping in order to possibly make a more effective diagnosis. Finally, the infrared image analyzed through the

  1. Calculation of (n,xγ) cross sections between threshold and 100 MeV for Fe and Pb isotopes: Comparisons with experimental data

    International Nuclear Information System (INIS)

    Young, P.G.; Haight, R.C.; Nelson, R.O.

    1991-01-01

    An experimental program is in progress at the Los Alamos National Laboratory WNR/LAMPF facility to perform high-resolution measurements of (n,xγ) cross sections for individual lines up to incident neutron energies in the medium-energy range for a variety of target materials. Part of the purpose of these measurements is to provide a data base for testing the details of nuclear models in this energy range, with the goal of facilitating model improvements. In this paper initial calculations using the GNASH nuclear theory code and the level density models of Gilbert-Cameron and Ignatyuk are described. The results are compared to the existing experimental data base for 204,206,207,208 Pb isotopes at lower energies and to preliminary data from the WNR/LAMPF measurements on nat Fe and 208 Pb up to E n = 100 MeV. (author). 27 refs, 14 figs

  2. Ameloblastoma vs basal cell carcinoma: an immunohistochemical comparison.

    Science.gov (United States)

    Jawad, Salam N; Abdullah, Bashar H

    2016-12-01

    Despite behavioral mimicry of ameloblastoma (AB) and basal cell carcinoma (BCC), they are classified at 2 extremes within pertinent WHO classifications with respect to benign and malignant designation. This study aims to appraise the current allocation of AB in the classification through an immunohistochemical comparison of some aspects of behavior with BCC. Sections from retrospectively retrieved formalin-fixed, paraffin-embedded tissue blocks of AB (n = 37) and BCC (n = 34) were comparatively examined for the immunohistochemical expression for Ki-67, Bcl-2, MMP-2, MMP-9, CD31, and D2-40 monoclonal antibodies. No statistically significant differences between the tumors were found regarding the immunoexpressions of Bcl-2 (P = .252), CD31 microvessel density (P = .895), lymphatic vessel density (P = .642), and MMP-9 stromal expression (P = .083). MMP-2 expression was significantly higher in epithelial and stromal regions of AB (P = .009 and P = .001, respectively), whereas Ki-67 and MMP-9 epithelial expressions were significantly higher in BCC (P < .000 and P = .026, respectively). Within the studied immunohistochemical attributes for tumor behavior, the study accentuated the overall behavioral mimicry of the tumors and indicated that BCCs surmount ABs by the proliferative rate only. Copyright © 2016 Elsevier Inc. All rights reserved.

  3. Microstructure, thermophysical and electrical properties in AlxCoCrFeNi (0 ≤ x ≤2) high-entropy alloys

    International Nuclear Information System (INIS)

    Chou, H.-P.; Chang, Y.-S.; Chen, S.-K.; Yeh, J.-W.

    2009-01-01

    Al x CoCrFeNi (0 ≤ x ≤2) alloys were prepared by an arc remelter and investigated. With increasing x, the Al x CoCrFeNi alloys change from single FCC phase to single BCC phase with a transition duplex FCC/BCC region. The weak X-ray diffraction intensities indicate severe X-ray scattering effect of lattice in these high-entropy alloys. Electrical conductivity and thermal conductivity much smaller than those of pure component metals is ascribed as due to this lattice effect. The behavior of electrical conductivity and thermal conductivity can be divided into three parts according to microstructure. Both values of electrical conductivity and thermal conductivity decrease with increasing x in single-phase regions. Values of electrical conductivity and thermal conductivity are even higher than those in the duplex phase region because of the additional scattering effect of FCC/BCC phase boundaries in the alloys. Relative contribution of electron and phonon to electrical resistivity and thermal conductivity is evaluated in this study. It is shown that both electron and phonon components are comparable in these high-entropy alloys, and their transport properties are similar to that of semi-metal.

  4. A negative working potential supercapacitor electrode consisting of a continuous nanoporous Fe-Ni network

    Science.gov (United States)

    Xie, Yunsong; Chen, Yunpeng; Zhou, Yang; Unruh, Karl M.; Xiao, John Q.

    2016-06-01

    A new class of electrochemical electrodes operating in a negative voltage window has been developed by sintering chemically prepared Fe-Ni nanoparticles into a porous nanoscale mixture of an Fe-rich BCC Fe(Ni) phase and a Ni-rich FCC Fe-Ni phase. The selective conversion of the Fe-rich phase to hydroxides provides the electrochemically active component of the electrodes while the Ni-rich phase provides high conductivity and structural stability. The compositionally optimized electrodes exhibit a specific capacitance in excess of 350 F g-1 (all normalizations are to the total electrode mass rather than the much smaller electrochemically active mass) and retain more than 85% of their maximum specific capacitance after 2000 charging/discharging cycles. In addition to their inexpensive constituents, these electrodes are self-supporting and their thickness and mass loading density of about 65 μm and 20 mg cm-2 are compatible with the established manufacturing processes. This desirable combination of physical and electrochemical properties suggests that these electrodes may be useful as the negative electrode in high performance asymmetric supercapacitors.A new class of electrochemical electrodes operating in a negative voltage window has been developed by sintering chemically prepared Fe-Ni nanoparticles into a porous nanoscale mixture of an Fe-rich BCC Fe(Ni) phase and a Ni-rich FCC Fe-Ni phase. The selective conversion of the Fe-rich phase to hydroxides provides the electrochemically active component of the electrodes while the Ni-rich phase provides high conductivity and structural stability. The compositionally optimized electrodes exhibit a specific capacitance in excess of 350 F g-1 (all normalizations are to the total electrode mass rather than the much smaller electrochemically active mass) and retain more than 85% of their maximum specific capacitance after 2000 charging/discharging cycles. In addition to their inexpensive constituents, these electrodes are

  5. Boron doped bcc-W films: Achieving excellent mechanical properties and tribological performance by regulating substrate bias voltage

    Science.gov (United States)

    Yang, Lina; Zhang, Kan; Zeng, Yi; Wang, Xin; Du, Suxuan; Tao, Chuanying; Ren, Ping; Cui, Xiaoqiang; Wen, Mao

    2017-11-01

    Boron doped bcc-W (WBx, x = B/W) films were deposited on Si(100) substrates by magnetron co-sputtering pure W and B targets. Our results reveal that when the absolute value of substrate bias voltage (Vb) increases from floating to 240 V, the value of x monotonously decreases from 0.18 to 0.04, accompanied by a phase transition from a mixture of tetragonal γ-W2B and body-centered cubic α-W(B) phase (-Vb ≤ 60 V) to α-W(B) single phase (-Vb > 60 V). Hardness, depending on Vb, increases first and then drops, where the maximum hardness of 30.8 GPa was obtained at -Vb = 60 V and far higher than pure W and W2B theoretical value. In the mixed phase structure, the grain boundaries strengthening, Hall-Petch effect and solid-solution strengthening induced by B dominate the strengthening mechanism. Astonishingly, the film grown at -Vb = 120 V still possesses twice higher hardness than pure W, wherein unexpectedly low (6.7 at.%) B concentration and only the single α-W(B) phase can be identified. In this case, both Hall-Petch effect and solid-solution strengthening work. Besides, low friction coefficient of ∼0.18 can be obtained for the films with α-W(B) phase, which is competitive to that of reported B-rich transition-metal borides, such as TiB2, CrB and CrB2.

  6. Investigating effects of BCC and FCC arrangements on flow and heat transfer characteristics in pebbles through CFD methodology

    Energy Technology Data Exchange (ETDEWEB)

    Ferng, Yuh Ming, E-mail: ymferng@ess.nthu.edu.tw [Department of Engineering and System Science, Institute of Nuclear Engineering and Science, National Tsing Hua University, 101, Sec. 2. Kuang-Fu Rd., Hsingchu 30013, Taiwan, ROC (China); Lin, Kun-Yueh [Department of Engineering and System Science, Institute of Nuclear Engineering and Science, National Tsing Hua University, 101, Sec. 2. Kuang-Fu Rd., Hsingchu 30013, Taiwan, ROC (China)

    2013-05-15

    Highlights: ► An HTGR would be one of the possible energy generation sources. ► We propose a CFD model to study effects of pebble arrangements for a PRB core. ► The entrance effect on the Nu number can be reasonably captured. ► The present predicted Nu versus Re{sub p} shows good agreement with data and correlation. ► Using FCC lattice in a core, simulation results may be non-conservative. -- Abstract: A high temperature gas cooled reactor (HTGR) would be one of the possible energy generation sources due to its advantages of inherently safety performance and higher conversion efficiency, etc. However, safety is the most important issue for its commercialization in energy industry. It is very crucial for safety design and operation of an HTGR to investigate its thermal–hydraulic characteristics. In this article, a computational fluid dynamics (CFD) methodology is proposed to investigate effects of different arrangements on these characteristics for an HTGR with a pebble bed (PB) core. Two kinds of arrangement: body-centered cubic (BCC) and face-centered cubic (FCC) are studies herein. Based on the simulation results, higher heat transfer capability and lower pebble temperature are predicted in the pebbles with the FCC-arrangement. The thermally fully-developed flow condition may be reached, which is shown in the result that the predicted average Nussel (Nu) number decreases from the 1st layer and reaches to an asymptotic value as the gas passes through the 6th layer of pebbles. This entrance effect reveals that the system codes using the correlations developed from the fully-developed flow condition can be appropriately applied in the entire PBR core. In addition, the present predicted dependence of Nu number on the inlet Reynolds (Re) number shows good agreement with that obtained from the well-known KTA. Measured data of Nu number versus Re number are also used to validate the CFD model.

  7. Effects of the sp element additions on the microstructure and mechanical properties of NiCoFeCr based high entropy alloys

    Energy Technology Data Exchange (ETDEWEB)

    Vida, Adam, E-mail: vida.adam@wigner.mta.hu [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, H-1525 Budapest, P.O. Box 49 (Hungary); Department of Matefrials Physics, Eötvös University Budapest, H-1117 Budapest, Pázmány P. sétány 1/A (Hungary); Varga, Lajos K. [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, H-1525 Budapest, P.O. Box 49 (Hungary); Chinh, Nguyen Quang [Department of Matefrials Physics, Eötvös University Budapest, H-1117 Budapest, Pázmány P. sétány 1/A (Hungary); Molnar, David [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, H-1525 Budapest, P.O. Box 49 (Hungary); Department of Matefrials Physics, Eötvös University Budapest, H-1117 Budapest, Pázmány P. sétány 1/A (Hungary); Huang, Shuo [Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-100 44 (Sweden); Vitos, Levente [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, H-1525 Budapest, P.O. Box 49 (Hungary); Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-100 44 (Sweden)

    2016-07-04

    The effects of the sp (Al, Ga, Ge, Sn) element additions on the microstructure and mechanical properties of equimolar NiCoFeCr High Entropy Alloys (HEAs) are investigated. The results of X-ray diffraction measurements combined with scanning electron microscopy SEM investigations, as well as the results of nanoindentation test revealed that while the structure of the basic alloy is full FCC, the addition of sp elements has changed it to a multiphase containing both FCC and BCC components, but in different scales. Accordingly, the addition of sp elements strongly increases the strength of the basic state, especially in the case of alloys where the BCC phase is dominant in the microstructure. The physical properties as the Young’s- and shear moduli of the investigated HEAs were also determined using ultrasound methods. The correlation between these two moduli suggests a general relationship for metallic alloys.

  8. Tensile ductility of an AlCoCrFeNi multi-phase high-entropy alloy through hot isostatic pressing (HIP) and homogenization

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Zhi, E-mail: Zhi.Tang@alcoa.com [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996 (United States); Department of Materials Science and Engineering, Virginia Tech, Blacksburg, VA 24061 (United States); Senkov, Oleg N. [Air Force Research Laboratory, Materials and Manufacturing Directorate, Wright-Patterson Air Force Base, OH 45433 (United States); Parish, Chad M. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Zhang, Chuan; Zhang, Fan [CompuTherm LLC, 437 S. Yellowstone Dr., Suite 217, Madison, WI 53719 (United States); Santodonato, Louis J. [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996 (United States); Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Wang, Gongyao [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996 (United States); Zhao, Guangfeng; Yang, Fuqian [Department of Chemical and Materials Engineering, University of Kentucky, Lexington, KY 40506 (United States); Liaw, Peter K., E-mail: pliaw@utk.edu [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996 (United States)

    2015-10-28

    The microstructure and phase composition of an AlCoCrFeNi high-entropy alloy (HEA) were studied in as-cast (AlCoCrFeNi-AC, AC represents as-cast) and homogenized (AlCoCrFeNi-HP, HP signifies hot isostatic pressed and homogenized) conditions. The AlCoCrFeNi-AC ally has a dendritric structure in the consisting primarily of a nano-lamellar mixture of A2 (disordered body-centered-cubic (BCC)) and B2 (ordered BCC) phases, formed by an eutectic reaction. The homogenization heat treatment, consisting of hot isostatic pressed for 1 h at 1100 °C, 207 MPa and annealing at 1150 °C for 50 h, resulted in an increase in the volume fraction of the A1 phase and formation of a Sigma (σ) phase. Tensile properties in as-cast and homogenized conditions are reported at 700 °C. The ultimate tensile strength was virtually unaffected by heat treatment, and was 396±4 MPa at 700 °C. However, homogenization produced a noticeable increase in ductility. The AlCoCrFeNi-AC alloy showed a tensile elongation of only 1.0%, while after the heat-treatment, the elongation of AlCoCrFeNi-HP was 11.7%. Thermodynamic modeling of non-equilibrium and equilibrium phase diagrams for the AlCoCrFeNi HEA gave good agreement with the experimental observations of the phase contents in the AlCoCrFeNi-AC and AlCoCrFeNi-HP. The reasons for the improvement of ductility after the heat treatment and the crack initiation subjected to tensile loading were discussed.

  9. Comparison Between Folic Acid and gH625 Peptide-Based Functionalization of Fe3O4Magnetic Nanoparticles for Enhanced Cell Internalization.

    Science.gov (United States)

    Tudisco, C; Cambria, M T; Giuffrida, A E; Sinatra, F; Anfuso, C D; Lupo, G; Caporarello, N; Falanga, A; Galdiero, S; Oliveri, V; Satriano, C; Condorelli, G G

    2018-02-07

    A versatile synthetic route based on magnetic Fe 3 O 4 nanoparticle (MNP) prefunctionalization with a phosphonic acid monolayer has been used to covalently bind the gH625 peptide on the nanoparticle surface. gH625 is a membranotropic peptide capable of easily crossing the membranes of various cells including the typical human blood-brain barrier components. A similar synthetic route was used to prepare another class of MNPs having a functional coating based on PEG, rhodamine, and folic acid, a well-known target molecule, to compare the performance of the two cell-penetrating systems (i.e., gH625 and folic acid). Our results demonstrate that the uptake of gH625-decorated MNPs in immortalized human brain microvascular endothelial cells after 24 h is more evident compared to folic acid-functionalized MNPs as evidenced by confocal laser scanning microscopy. On the other hand, both functionalized systems proved capable of being internalized in a brain tumor cell line (i.e., glioblastoma A-172). These findings indicate that the functionalization of MNPs with gH625 improves their endothelial cell internalization, suggesting a viable strategy in designing functional nanostructures capable of first crossing the BBB and, then, of reaching specific tumor brain cells.

  10. Comparison Between Folic Acid and gH625 Peptide-Based Functionalization of Fe3O4 Magnetic Nanoparticles for Enhanced Cell Internalization

    Science.gov (United States)

    Tudisco, C.; Cambria, M. T.; Giuffrida, A. E.; Sinatra, F.; Anfuso, C. D.; Lupo, G.; Caporarello, N.; Falanga, A.; Galdiero, S.; Oliveri, V.; Satriano, C.; Condorelli, G. G.

    2018-02-01

    A versatile synthetic route based on magnetic Fe3O4 nanoparticle (MNP) prefunctionalization with a phosphonic acid monolayer has been used to covalently bind the gH625 peptide on the nanoparticle surface. gH625 is a membranotropic peptide capable of easily crossing the membranes of various cells including the typical human blood-brain barrier components. A similar synthetic route was used to prepare another class of MNPs having a functional coating based on PEG, rhodamine, and folic acid, a well-known target molecule, to compare the performance of the two cell-penetrating systems (i.e., gH625 and folic acid). Our results demonstrate that the uptake of gH625-decorated MNPs in immortalized human brain microvascular endothelial cells after 24 h is more evident compared to folic acid-functionalized MNPs as evidenced by confocal laser scanning microscopy. On the other hand, both functionalized systems proved capable of being internalized in a brain tumor cell line (i.e., glioblastoma A-172). These findings indicate that the functionalization of MNPs with gH625 improves their endothelial cell internalization, suggesting a viable strategy in designing functional nanostructures capable of first crossing the BBB and, then, of reaching specific tumor brain cells.

  11. A Comparison of Fully Automated Methods of Data Analysis and Computer Assisted Heuristic Methods in an Electrode Kinetic Study of the Pathologically Variable [Fe(CN) 6 ] 3–/4– Process by AC Voltammetry

    KAUST Repository

    Morris, Graham P.

    2013-12-17

    Fully automated and computer assisted heuristic data analysis approaches have been applied to a series of AC voltammetric experiments undertaken on the [Fe(CN)6]3-/4- process at a glassy carbon electrode in 3 M KCl aqueous electrolyte. The recovered parameters in all forms of data analysis encompass E0 (reversible potential), k0 (heterogeneous charge transfer rate constant at E0), α (charge transfer coefficient), Ru (uncompensated resistance), and Cdl (double layer capacitance). The automated method of analysis employed time domain optimization and Bayesian statistics. This and all other methods assumed the Butler-Volmer model applies for electron transfer kinetics, planar diffusion for mass transport, Ohm\\'s Law for Ru, and a potential-independent Cdl model. Heuristic approaches utilize combinations of Fourier Transform filtering, sensitivity analysis, and simplex-based forms of optimization applied to resolved AC harmonics and rely on experimenter experience to assist in experiment-theory comparisons. Remarkable consistency of parameter evaluation was achieved, although the fully automated time domain method provided consistently higher α values than those based on frequency domain data analysis. The origin of this difference is that the implemented fully automated method requires a perfect model for the double layer capacitance. In contrast, the importance of imperfections in the double layer model is minimized when analysis is performed in the frequency domain. Substantial variation in k0 values was found by analysis of the 10 data sets for this highly surface-sensitive pathologically variable [Fe(CN) 6]3-/4- process, but remarkably, all fit the quasi-reversible model satisfactorily. © 2013 American Chemical Society.

  12. Total electron yield measurements of extended x-ray absorption fine structures (EXAFS) of Ni and Fe thin foils, and adsorption of Ni on polycrystalline Fe substrates

    International Nuclear Information System (INIS)

    Sham, T.K.; Carr, R.G.

    1985-01-01

    X-ray absorption spectra of Fe and Ni K edges have been obtained at room temperature by means of a total electron yield technique for a clean Fe foil on which Ni was subsequently deposited, and a Ni foil. This technique involves the measurement of the specimen current. The total yield is found to be approx.1 x 10 -2 electron per photon absorbed at the Fe K edge for a 1/4 mil foil. Dramatic increase in surface sensitivity is gained over transmission EXAFS by using this technique to study Ni overlayers on Fe surface. The EXAFS of the deposited Ni overlayers (several monolayer coverage) are compared with those of the pure elements and of Ni/Fe alloys in the α(bcc) and γ(fcc) phases. The results indicate that the average Ni--Ni bond in the deposited Ni overlayers does not contract relative to that in the bulk in contrast to previously observed contraction of Ni deposition on carbon substrates. The feasibility of this technique and its application are discussed

  13. Properties of nanocrystalline Fe75Si15M10 (M-Cr and Al) powders prepared by mechanical alloying.

    Science.gov (United States)

    Kalita, M P C; Perumal, A; Srinivasan, A; Pandey, Brajesh; Verma, H C

    2008-08-01

    We report the structural and magnetic properties of the nanocrystalline Fe75Si15M10 (M-Al and Cr) powders prepared by mechanical alloying. The milling process produced a non-equilibrium solid solutions of bcc alpha-Fe(Si,Cr) and alpha-Fe(Si,Al). The average dislocation density increases and the average crystallite size decreases with increasing milling time. Magnetic property studies show that the coercivity of the sample increases and magnetization of the sample decreases with increasing milling time. The evolution of a non-equilibrium solid solution and the resulting magnetic properties of nanocrystalline powders are explained on the basis of Neel theory and modified random anisotropy model proposed by Shen et al.

  14. Mössbauer and X-ray study of the Fe 65 Ni 35 invar alloy obtained by mechanical alloying

    Science.gov (United States)

    Rodriguez, R. R.; Valenzuela, J. L.; Tabares, J. A.; Pérez Alcázar, G. A.

    2014-01-01

    Fe65Ni35 samples were prepared by mechanical alloying (MA) with milling times of 5, 6, 7, 10 and 11 h, using a ball mass to powder mass ratio of 20:1 and at 280 rpm. The samples were characterized by X-ray diffraction (XRD) and transmission 57Fe Mössbauer spectrometry. The X-ray diffraction pattern showed the coexistence of one body centered cubic (BCC) and two face centered cubic (FCC1 and FCC2) structural phases. The lattice parameters of these phases did not change significantly with the milling time (2.866 Å, 3.597 Å and 3.538 Å, respectively). After 10 h of milling, the X-ray diffraction pattern showed clearly the coexistence of these three phases. Hence, Mössbauer spectrometry measurements at low temperatures from 20 to 300 K of this sample were also carried out. The Mössbauer spectra were fitted using a model with three components: the first one is a hyperfine magnetic field distributions at high fields, related to the BCC phase; the second one is a hyperfine magnetic field distribution involving low hyperfine fields related to a FCC phase rich in Ni, and the third one is a singlet related to a FCC phase rich in Fe, with paramagnetic behavior. As proposed by some authors, the last phase is related with the antitaenite phase.

  15. Diffusion of Sn in α-Fe Measured by RBS and HIRBS

    International Nuclear Information System (INIS)

    Torres, Dario N.

    1998-01-01

    With the development of Rutherford Back Scattering Spectrometry (RBS) and Heavy Ions RBS (HIRBS) nuclear techniques for the measurement of diffusion phenomena, it was possible to extend the experimental temperature range down to the low temperatures ferromagnetic region. In the present work, the diffusion behaviour of the impurity Sn atoms in the bcc Fe lattice, was analyzed by the above-mentioned techniques. A slight curvature of the Arrhenius plot was observed with the experimental data thus obtained during that transition. The Ruch-Girifalco model was used, which takes into account the ferromagnetic effects on the diffusion coefficient, in order to determine the influence of that phase transition. The magnetic momentum of the impurities seems to play an important role on the behaviour of the impurity element diffusing in the Fe lattice. (author)

  16. Chemical synthesis, characterizations and magnetic properties of nanocrystalline Fe50Co50 alloy

    Science.gov (United States)

    Dalavi, Shankar B.; Raja, M. Manivel; Panda, Rabi Narayan

    2014-04-01

    Nanocrystalline Fe50Co50 alloy has been synthesized successfully by chemical reduction route using superhydride as reducing agent and oleic acid and oleylamine as capping agents. Phase purity, crystallite size and lattice parameters of the synthesized NPs are determined by X-ray powder diffraction method. FeCo alloy crystallizes in body centered cubic (bcc) structure having crystallite size equal to 29 nm and lattice parameters equal to 2.8546 Å. The size and shape morphologies of the material were studied by SEM analysis. SEM micrograph study shows the average particle size to be 60 nm and indicates the appearance of agglomerates of the nano-particles consisting of several crystallites. The room temperature magnetic hysteresis studies indicate ferromagnetic behavior of the materials. The values of saturation magnetization and coercivity were 65 emu/g and 460 Oe, respectively. Magnetic properties of the material were interpreted on the basis of fine particle magnetism.

  17. Martensitic Transformation and Superelasticity in Fe-Mn-Al-Based Shape Memory Alloys

    Science.gov (United States)

    Omori, Toshihiro; Kainuma, Ryosuke

    2017-12-01

    Ferrous shape memory alloys showing superelasticity have recently been obtained in two alloy systems in the 2010s. One is Fe-Mn-Al-Ni, which undergoes martensitic transformation (MT) between the α (bcc) parent and γ' (fcc) martensite phases. This MT can be thermodynamically understood by considering the magnetic contribution to the Gibbs energy, and the β-NiAl (B2) nanoprecipitates play an important role in the thermoelastic MT. The temperature dependence of critical stress for the MT is very small (about 0.5 MPa/°C) due to the small entropy difference between the parent and martensite phases in the Fe-Mn-Al-Ni alloy, and consequently, superelasticity can be obtained in a wide temperature range from cryogenic temperature to about 200 °C. Microstructural control is of great importance for obtaining superelasticity, and the relative grain size is among the most crucial factors.

  18. Magnetic interaction reversal in watermelon nanostructured Cr-doped Fe nanoclusters

    Energy Technology Data Exchange (ETDEWEB)

    Kaur, Maninder; Dai, Qilin; Bowden, Mark; Engelhard, Mark; Wu, Yaqiao; Tang, Jinke; Qiang, You

    2013-01-01

    Cr-doped core-shell Fe/Fe-oxide nanoclusters (NCs) were synthesized at varied atomic percentages of Cr from 0 at. % to 8 at. %. The low concentrations of Cr (<10 at. %) were selected in order to inhibit the complete conversion of the Fe-oxide shell to Cr2O3 and the Fe core to FeCr alloy. The magnetic interaction in Fe/Fe-oxide NCs (rv25 nm) can be controlled by antiferromagnetic Cr-dopant. We report the origin of r-FeCr phase at very low Cr concentration (2 at. %) unlike in previous studies, and the interaction reversal from dipolar to exchange interaction in watermelon-like Cr-doped core-shell NCs. The giant magnetoresistance (GMR) effect,1,2 where an antiferromagnetic (AFM) exchange coupling exists between two ferromagnetic (FM) layers separated by a certain type of magnetic or non-magnetic spacer,3 has significant potential for application in the magnetic recording industry. Soon after the discovery of the GMR, the magnetic properties of multilayer systems (FeCr) became a subject of intensive study. The application of bulk iron-chromium (Fe-Cr) alloys has been of great interest, as these alloys exhibit favorable prop- erties including corrosion resistance, high strength, hardness, low oxidation rate, and strength retention at elevated temper- ature. However, the structural and magnetic properties of Cr-doped Fe nanoclusters (NCs) have not been investigated in-depth. Of all NCs, Fe-based clusters have unique magnetic properties as well as favorable catalytic characteristics in reactivity, selectivity, and durability.4 The incorporation of dopant of varied type and concentration in Fe can modify its chemical ordering, thereby optimizing its electrical, optical, and magnetic properties and opening up many new applications. The substitution of an Fe atom (1.24 A°) by a Cr atom (1.25 A° ) can easily modify the magnetic properties, since (i) the curie temperature (Tc ) of Fe is 1043 K, while Cr is an itinerant AFM with a bulk Neel temperature TN =311 K, and (ii) Fe

  19. Microstructure and mechanical properties of ion-beam-produced Fe-Ti-(N), Fe-Ti-(C), and Fe-Ti-(C,N) surface films

    Science.gov (United States)

    Hirvonen, J.-P.; Nastasi, M.; Zocco, T. G.; Jervis, T. R.

    1990-06-01

    Ion-mixed films of Fe53 Ti47 were produced by ion irradiating a Fe-Ti multilayer structure on AISI 304 stainless steel. The ion-mixed films were subsequently implanted with nitrogen, carbon, or both carbon and nitrogen. The microstructure following nitrogen implantation consisted of a bcc solid solution of iron and titanium and finely dispersed TiN precipitates. In the cases of carbon or carbon and nitrogen implantation, a two-phase structure consisting of an amorphous matrix with TiC or Ti(C,N) precipitates was found. All these films initially possessed improved tribological properties as revealed by lowered friction and increased wear resistance. However, after an extended test of 1000 wear cycles, a reduced friction was only observed for the carbon or carbon and nitrogen implanted samples. The wear track on the dual implanted surface was extremely smooth, while the surface of the nitrogen-implanted sample was partly worn through, causing the friction to increase to the level of the untreated sample. The improved tribological properties of the implanted films are attributed to an increase in surface hardness. However, the surface hardness is unable to explain differences between different implantations. In the case of the dual carbon and nitrogen implantation, improvements appear to be in part the result from an increased capability to accommodate plastic deformation. These conclusions are supported by transmission electron microscope studies of the wear tracks as well as by nanoindentation measurements.

  20. Study of the reaction of astrophysical interest 60Fe(n,γ)61Fe via (d,pγ) transfer reaction

    International Nuclear Information System (INIS)

    Giron, S.

    2011-12-01

    60 Fe is of special interest in nuclear astrophysics. Indeed the recent observations of 60 Fe characteristic gamma-ray lines by the RHESSI and INTEGRAL spacecrafts allowed to measure the total flux of 60 Fe over the Galaxy. Moreover the observation in presolar grains of an excess of the daughter-nuclei of 60 Fe, 60 Ni, gives constraints on the conditions of formation of the early solar system. However, the cross-sections of some reactions involved in 60 Fe nucleosynthesis and included to stellar models are still uncertain. The destruction reaction of 60 Fe, 60 Fe(n, γ) 61 Fe, is one of them. The total cross-section can be separate into two contributions: the direct one, involving states below the neutron separation threshold of 61 Fe, and the resonant one.We improved 61 Fe spectroscopy in order to evaluate the direct capture part of the 60 Fe(n, γ) 61 Fe reaction cross-section. 60 Fe(n, γ) 61 Fe was thus studied via d( 60 Fe, pγ) 61 Fe transfer reaction with the CATS/MUST2/EXOGAM setup at LISE-GANIL. DWBA analysis of experimental proton differential cross-sections allowed to extract orbital angular momentum and spectroscopic factors of different populated states identified below the neutron threshold. A comparison of experimental results for 61 Fe with experimental results for similar nuclei and with shell-model calculations was also performed. (author) [fr

  1. Coercivity and nanostructure of melt-spun Ti-Fe-Co-B-based alloys

    Directory of Open Access Journals (Sweden)

    W. Y. Zhang

    2016-05-01

    Full Text Available Nanocrystalline Ti-Fe-Co-B-based alloys, prepared by melt spinning and subsequent annealing, have been characterized structurally and magnetically. X-ray diffraction and thermomagnetic measurements show that the ribbons consist of tetragonal Ti3(Fe,Co5B2, FeCo-rich bcc, and NiAl-rich L21 phases; Ti3(Fe,Co5B2, is a new substitutional alloy series whose end members Ti3Co5B2 and Ti3Fe5B2 have never been investigated magnetically and may not even exist, respectively. Two compositions are considered, namely Ti11+xFe37.5-0.5xCo37.5−0.5xB14 (x = 0, 4 and alnico-like Ti11Fe26Co26Ni10Al11Cu2B14, the latter also containing an L21-type alloy. The volume fraction of the Ti3(Fe,Co5B2 phase increases with x, which leads to a coercivity increase from 221 Oe for x = 0 to 452 Oe for x = 4. Since the grains are nearly equiaxed, there is little or no shape anisotropy, and the coercivity is largely due to the magnetocrystalline anisotropy of the tetragonal Ti3(Fe,Co5B2 phase. The alloy containing Ni, Al, and Cu exhibits a magnetization of 10.6 kG and a remanence ratio of 0.59. Our results indicate that magnetocrystalline anisotropy can be introduced in alnico-like magnets, adding to shape anisotropy that may be induced by field annealing.

  2. Is focus on prevention missing in national health programs? A situation analysis of IEC/BCC/Health promotion activities in a district setting of Punjab and Haryana

    Directory of Open Access Journals (Sweden)

    Jarnail Singh Thakur

    2017-01-01

    Full Text Available Context: Health promotion (HP has been an integral part of all national programs although it has been a low priority in India, which has resulted in a failure to achieve the desired results. Settings and Design: Situation analysis of information education communication (IEC/behavior change communication (BCC/HP activities within the existing national health programs was undertaken in the district of Hoshiarpur in Punjab and the district of Ambala in Haryana during 2013-14. Materials and Methods: Facility-based assessments were done by conducting in-depth interviews with stakeholders, program officers, medical officers, health workers, and counselors. Household survey (332 individuals and exit interview (102 interviews were conducted to assess the knowledge of the community regarding key risk factors. Results: There was a high vacancy in the mass media division with 40% (2 out of 5 and 89% (8 out of 9 of the sanctioned positions vacant in Hoshiarpur and Ambala, respectively, with low capacity of staff and budget. There was no annual calendar, logbook of activities with poor recording of IEC material received and disseminated. The knowledge of community members regarding key risk factors such as tobacco use, salt intake, blood pressure level, anemia, and tuberculosis was 77.3%, 26.4%, 16.4%, 32.7%, and 91.8%, respectively, in the district of Ambala as compared to 77.5%, 37.5%, 33.3%, 25.8%, and 88.3%, respectively, in the district of Hoshiarpur. The village health and sanitation committee (VHSC in the district of Hoshiarpur and village level core committee (VLCC in the district of Ambala were found to be nonfunctional with no Iec/Bcc activities in the covered villages in the last month. Monitoring and supervision of Iec/Bcc activities were poor in both the districts. Conclusions: Iec/Bcc/HP is a neglected area in national health programs in the selected districts with inadequate budget, human resources with poor implementation, and requires

  3. Hydrogen solubility in austenite of Fe-Ni-Cr alloys

    International Nuclear Information System (INIS)

    Zhirnova, V.V.; Mogutnov, B.M.; Tomilin, I.A.

    1981-01-01

    Hydrogen solubility in Fe-Ni-Cr alloys at 600-1000 deg C is determined. Hydrogen solubility in ternary alloys can not be predicted on the basis of the data on its solubility in binary Fe-Ni, Fe-Cr alloys. Chromium and nickel effect on hydrogen solubility in iron is insignificant in comparison with the effect of these elements on carbon or nitrogen solubility [ru

  4. Moessbauer spectroscopy study of the crystallisation behaviour of Fe-Ni-Si-P amorphous powders prepared by ball milling

    Energy Technology Data Exchange (ETDEWEB)

    Sunol, J.J. [Girona Univ. (Spain). Grup de Recerca en Materials; Pradell, T. [Univ. Politecnica de Catalunya, Barcelona (Spain). ESAB; Clavaguera, N. [Fisica de l' Estat Solid, Univ. de Barcelona (Spain); Clavaguera-Mora, M.T. [Universitat Autonoma de Barcelona (Spain). Dept. de Fisica

    2001-07-01

    Crystallisation of ball milled amorphous powders with the overall composition Fe{sub 40}Ni{sub 40}P{sub 20-x}Si{sub x} (x=6, 10, 14) are studied by X-ray diffraction and transmission Moessbauer spectroscopy. Structural relaxation and growth of preexisting phases appear at temperatures below 473 K. Further annealing at higher temperature results in the complete crystallization of the material. Different amorphisation ability of the resulting amorphous powders is determined as a function of the Si/P content. The crystallisation products determined - Fe(Si) bcc and Fe-Ni fcc phases, Ni rich silicides and Fe-Ni phosphides- are the same as those obtained after crystallization of melt spun amorphous alloys of the same composition. The collapse of the magnetic hyperfine field, characteristic of INVAR Fe-Ni fcc phases with compositions in the 30-40 at% Ni range, is observed. However, this magnetic collapse is not obtained in the corresponding amorphous alloys obtained by melt spinning which, on the contrary, show the precipitation of both ferromagnetic and paramagnetic Fe-Ni fcc phases. Although this behaviour seems to indicate the precipitation of Fe-richer phases, the mechanical stresses introduced in the material are also known to be able to induce such different magnetic behaviour. (orig.)

  5. Ab initio calculation of phase boundaries in iron along the bcc-fcc transformation path and magnetism of iron overlayers

    Czech Academy of Sciences Publication Activity Database

    Friák, Martin; Šob, Mojmír; Vitek, V.

    2001-01-01

    Roč. 63, č. 5 (2001), s. čl. 052405 ISSN 0163-1829 R&D Projects: GA ČR GA106/99/1178; GA MŠk ME 264 Grant - others:-(US) INT9605232 Institutional research plan: CEZ:AV0Z2041904 Keywords : ultrathin fe films * generalized-gradient approximation * energy-electron-diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.070, year: 2001

  6. Structural and magnetic behavior of Fe(Nb,Zr) rich alloys produced by mechanical alloying

    Science.gov (United States)

    Carrillo, A.; Escoda, L.; Saurina, J.; Suñol, J. J.

    2018-04-01

    Fe80Nb7B12Cu1 and Fe80(NiZr)7B12Cu1, nanocrystalline alloys were synthesized in two high-energy ball milling devices (planetary, shaker). The microstructure, thermal and magnetic properties of the milled powders were characterized by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and vibrating sample magnetometry (VSM); respectively. Milling device influences the microstructure and properties of final products. The results suggest more energetic milling in shaker mill. The main phase is always bcc Fe rich solid solution. Nevertheless, in Fe80Nb7B12Cu1 alloy minor Nb(B) phase is found after shaker milling and in Fe80(NiZr)7B12Cu1 alloy a low crystalline size Zr rich phase after planetary milling. Crystalline grain size ranges between 9.5 and 15.1 nm; lower values correspond to alloys with a second minor phase. Coercivity values ranges between 28.6 and 36.9 Oe.

  7. Lattice sites of implanted Fe in Si

    CERN Document Server

    Wahl, Ulrich; Rita, E; Araújo, João Pedro; Carvalho-Soares, José

    2005-01-01

    The angular distribution of $\\beta^{-}$-particles emitted by the radioactive isotope $^{59}$Fe was monitored following implantation into Si single crystals at fluences from $1.4 \\times 10^{12}$ cm$^{-2}$ to $1 \\times 10^{14}$ cm$^{-2}$. We identified Fe on three distinct sites: ideal substitutional, displaced substitutional and displaced tetrahedral interstitial. Whereas displaced substitutional Fe was dominating for annealing temperatures below 500 °C, annealing between 500-700 °C caused the majority of Fe to occupy displaced tetrahedral interstitial sites. Ideal substitutional positions were increasingly populated following annealing at 800 °C and above. A comparison of the emission channeling results to Mössbauer and electron paramagnetic resonance experiments is given.

  8. Modification of culture conditions for production of the anti-tubercular hirsutellones by the insect pathogenic fungus Hirsutella nivea BCC 2594.

    Science.gov (United States)

    Madla, S; Isaka, M; Wongsa, P

    2008-08-01

    This work aimed to improve the production of anti-tubercular hirsutellones by the insect pathogenic fungus Hirsutella nivea BCC 2594. The fungus was cultivated under different carbon/nitrogen sources and aerations (shake vs static flasks) to improve the production of the anti-tubercular alkaloids, hirsutellones A-D. Under the basal conditions, static cultivation at 25 degrees C in minimum salt medium, only hirsutellone B and C were detected with maximum concentrations of 139.00 and 18.27 mg l(-1). Substitution of fructose for glucose and peptone for yeast extract increased the titres of hirsutellones A, B and C about two- to threefold. However, hirsutellone D was not detected in this medium. Culture agitation induced the production of hirsutellone D. As a result, the significant amounts of hirsutellones A-D were obtained with the concentration of 29.93, 169.63, 22.65 and 15.71 mg l(-1) within 15 days. Improved titres of hirsutellones in H. nivea BCC 2549 were achieved with an agitated (200 rev min(-1)) fructose-peptone medium at 25 degrees C. Improved yields of hirsutellones B-D will enable medicinal chemistry modifications leading to a development of a potential candidate for tuberculosis therapy.

  9. Neutron powder thermo-diffraction in mechanically alloyed Fe{sub 64}Ni{sub 36} invar alloy

    Energy Technology Data Exchange (ETDEWEB)

    Gorria, Pedro, E-mail: pgorria@uniovi.e [Departamento de Fisica, Universidad de Oviedo, Avda. Calvo Sotelo s/n, Oviedo 33007, Asturias (Spain); Martinez-Blanco, David [Unidad de Magnetometria, SCT' s, Universidad de Oviedo, Julian Claveria 8, 33006 Oviedo (Spain); Blanco, Jesus A. [Departamento de Fisica, Universidad de Oviedo, Avda. Calvo Sotelo s/n, Oviedo 33007, Asturias (Spain); Smith, Ronald I. [ISIS Facility, RAL, Chilton, Didcot, Oxon OX11 0QX (United Kingdom)

    2010-04-16

    Nanostructured Fe{sub 64}Ni{sub 36} alloy has been obtained using high-energy ball milling for 35 h of milling time, Fe{sub 64}Ni{sub 36} MA-35 h. The initial as-milled Fe{sub 64}Ni{sub 36} MA-35 h powders are inhomogeneous, showing a majority phase with a face-centred cubic (fcc) crystal structure [88(2)%] and a minority phase with body-centred cubic (bcc) crystal structure [7(2)%]. The evolution of the microstructure with temperature between 300 K and 1100 K has been followed by means of in situ neutron powder thermo-diffraction experiments. The room temperature values for the mean crystalline size and the mechanical-induced microstrain of the fcc phase in the as-milled sample are {approx}10 nm and {approx}0.7%, respectively. Moreover, after heating the Fe{sub 64}Ni{sub 36} MA-35 h powders up to 1100 K, an increase of around 65 K in the Curie temperature respect to that of the commercial coarse-grained alloy of the same composition is observed. The latter together with the observed temperature dependence of the lattice parameter suggests that the Fe{sub 64}Ni{sub 36} MA-35 h sample subjected to the heating process exhibits invar behaviour. On heating up to 1100 K thermal relaxation of the microstructure occurs giving rise to grain growth above 100 nm, nearly vanishing values for the maximum strain, and the transformation of the bcc phase into the fcc one above 800 K, being the latter stable in subsequent heating-cooling processes.

  10. Tracking the Magnetization Evolution in γ-Fe2O3 / Metallic Fe Core-Shell Nanoparticle Variants

    Science.gov (United States)

    Kons, C.; Nemati, Z.; Srikanth, H.; Phan, M.-H.; Krycka, K.; Borchers, J.; Keavney, D.; Arena, D. A.

    Iron-core magnetic nanoparticles (MNPs) with oxide shells exhibit varying magnetic properties due to the different ordering temperatures of the core and shell spins, as well as the coupling across the metal/oxide interface. While spin coupling across two dimensional interfaces has been well explored, less is known about three dimensional interfaces such as those presented in the MNPs. In this work, MNPs were synthesized with a bcc Fe core and γ-Fe2O3 shell and placed in an oxygen rich environment to encourage the transition from cores shell (CS) to core void shell (CVS) to hollow (H) structures. Static magnetic measurements (MvT) and AC magnetometry were performed to explore the magnetic behavior of the various synthesized structures. To further understand the nature of the spin coupling in the MNPs, TEM and conventional magnetometry as well as variable-temperature small angle neutron scattering (SANS), x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) spectroscopy were performed. Modeling of the x-ray spectra and SANS data will enable us to develop a cohesive picture of spin coupling, freezing and frustration along the three-dimensional metal / oxide interface. Supported by Department of Energy award #DE-FG02-07ER46438; NSF Award #DMR-1508249.

  11. 57Fe Mössbauer study of new multiferroic AgFeO2

    Science.gov (United States)

    Presniakov, I.; Rusakov, V.; Sobolev, A.; Gapochka, A.; Matsnev, M.; Belik, A. A.

    2014-04-01

    The present work reports results of the 57Fe Mössbauer measurements on AgFeO2 powder sample recorded at various temperatures including the points of both magnetic phase transitions. The 57Fe Mössbauer spectra of AgFeO2 measured in the paramagnetic range ( T > T N1) consist of one quadrupole doublet with rather high quadrupole splitting of Δ300 K = 0.66 ± 0.01 mm/s for Fe3+ ions. In order to predict the sign of electric field gradient (EFG) at 57Fe nuclei, we calculated the lattice contribution to the electric field gradient (EFG) at 57Fe nuclei, which emphasized the importance of the dipolar contributions, with resultant oxygen polarizabilities in the range of α O = 0.83 Å3, in agreement with the results obtained previously for other delafossite-like oxides. In the temperature range of T N2 AgFeO2 at T < T N2. The obtained data were analysed in comparison with published data on Mössbauer studies of oxide multiferroics.

  12. A comparative structural and magnetic study of Fe{sub 100−x}Pd{sub x}(x=15, 20 and 36) thin films deposited on Si (100) and glass substrates

    Energy Technology Data Exchange (ETDEWEB)

    Bahamida, S. [Research unit UR-MPE, University of Boumerdes, 1 Avenue de l’Independance, Boumerdes 35000 (Algeria); Groupe de Physique des Matériaux, Université et INSA de Rouen - UMR CNRS 6634 - Normandie Université, F-76801 Saint Etienne du Rouvray (France); Fnidiki, A., E-mail: abdeslem.fnidiki@univ-rouen.fr [Groupe de Physique des Matériaux, Université et INSA de Rouen - UMR CNRS 6634 - Normandie Université, F-76801 Saint Etienne du Rouvray (France); Laggoun, A. [Research unit UR-MPE, University of Boumerdes, 1 Avenue de l’Independance, Boumerdes 35000 (Algeria); Guittoum, A. [Nuclear Research Centre of Algiers, 2 Bd Frantz Fanon, BP 399, Algiers (Algeria)

    2015-10-15

    Various structural and magnetic characterization techniques have been used to investigate Fe{sub 100−x}Pd{sub x} (x=15, 20 and 36) thin films deposited onto silicon and glass substrates, by thermal evaporation technique. X-ray diffraction analysis shows the presence of supersaturated solid solution with bcc structure for Pd concentrations of 15% and 20%. However, for 36% of Pd, in addition to the supersaturated α-FePd (bcc) phase, another disordered FePd{sub 3} phase with fcc structure is present. At 20 at% Pd, the magnetic characterization shows a saturation of the bcc (α-FePd) phase and the appearance of the fcc phase. The correlation between the structure and magnetic properties allows us to compare the two substrates effects on deposited thin films. As results, the measurements indicate that the grain size D, the thin film thickness and the d{sub (110)} spacing significantly affect the magnetic coercivity H{sub C}. The Fe–Pd alloys deposited on a monocrystalline Si (100) and glass substrate show that the coercivity H{sub C} is given by the random anisotropy model. - Highlights: • Comparative study of Fe{sub 100−x}Pd{sub x} thin films deposited on the Si (100) and glass substrates. • The films grown on Si (100) substrate shown that the coercivity is proportional to D{sup 6}. • Films grown on glass substrate shown that the coercivity is linearly proportional to 1/D. • For Si substrate, a linear variation is obtained between the coercitivity and the d{sub (110)} spacing. • For glass substrate, a linear variation is obtained between coercitivity and 1/d{sub (110)} spacing.

  13. X-ray Absorption Spectroscopy and Density Functional Theory Studies of [(H3buea)FeIII-X]n1 (X= S2-, O2-,OH-): Comparison of Bonding and Hydrogen Bonding in Oxo and Sulfido Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Dey, Abhishek; Hocking, Rosalie K.; /Stanford U., Chem. Dept.; Larsen, Peter; Borovik, Andrew S.; /Kansas U.; Hodgson, Keith O.; Hedman, Britt; Solomon, Edward I.; /SLAC,

    2006-09-27

    Iron L-edge, iron K-edge, and sulfur K-edge X-ray absorption spectroscopy was performed on a series of compounds [Fe{sup III}H{sub 3}buea(X)]{sup n-} (X = S{sup 2-}, O{sup 2-}, OH{sup -}). The experimentally determined electronic structures were used to correlate to density functional theory calculations. Calculations supported by the data were then used to compare the metal-ligand bonding and to evaluate the effects of H-bonding in Fe{sup III}-O vs Fe{sup III-}S complexes. It was found that the Fe{sup III-}O bond, while less covalent, is stronger than the FeIII-S bond. This dominantly reflects the larger ionic contribution to the Fe{sup III-}O bond. The H-bonding energy (for three H-bonds) was estimated to be -25 kcal/mol for the oxo as compared to -12 kcal/mol for the sulfide ligand. This difference is attributed to the larger charge density on the oxo ligand resulting from the lower covalency of the Fe-O bond. These results were extended to consider an Fe{sup IV-}O complex with the same ligand environment. It was found that hydrogen bonding to Fe{sup IV-}O is less energetically favorable than that to Fe{sup III-}O, which reflects the highly covalent nature of the Fe{sup IV-}O bond.

  14. Effects of helium concentration and radiation temperature on interaction of helium atoms with displacement cascades in bcc iron

    Science.gov (United States)

    Gao, Chan; Tian, Dongfeng; Li, Maosheng; Qian, Dazhi

    2018-03-01

    In fusion applications, helium, implanted or created by transmutation, plays an important role in the response of reduced-activation ferritic/martensitic steels to neutron radiation damage. The effects of helium concentration and radiation temperature on interaction of interstitial helium atoms with displacement cascades have been studied in Fe-He system using molecular dynamics with recently developed Fe-He potential. Results indicate that interstitial helium atoms produce no additional defects at peak time and promote recombination of Frenkel pairs at lower helium concentrations, but suppress recombination of Frenkel pairs at larger helium concentrations. Moreover, large helium concentrations promote the production of defects at the end of cascades. The number of substitutional helium atoms increases with helium concentration at peak time and the end of cascades, but the number of substitutional helium atoms at peak time is smaller than that at the end of displacement cascades. High radiation temperatures promote the production at peak time and the recombination of defects at the end of cascades. The number of substitutional helium atoms increases with radiation temperature, but that at peak time is smaller than that at the end of cascades.

  15. First-principle study of the structural, electronic, and magnetic properties of amorphous Fe-B alloys

    Energy Technology Data Exchange (ETDEWEB)

    Tian Hua; Zhang Chong [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024 (China); Zhao Jijun, E-mail: zhaojj@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024 (China); Dong Chuang [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Wen Bin [School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Wang Qing [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China)

    2012-01-15

    The structural, electronic, and magnetic properties of amorphous Fe{sub 100-x}B{sub x} alloys (x=9, 17, 25, 27.3, 33.3, 36.3) are investigated using first-principles calculations. In these amorphous alloys, the short-range order is manifested as a series of Fe- or B-centered polyhedra such as tricapped trigonal prism, icosahedron, and bcc-like structural unit. The electron densities of states of the amorphous alloys resemble those of crystalline Fe borides, which further confirm the similarity of the local order in the amorphous and crystalline phases. All B atoms carry small negative moments of about -0.1{mu}{sub B}, while small negative moments are also found on very few Fe sites for the Fe-rich compositions (x=9, 17). The average magnetic moment per Fe atom decreases nonlinearly with increasing B composition, which can be associated with the nonlinear relationship between mass density and composition.

  16. M = Mn, Fe, Co

    Indian Academy of Sciences (India)

    ment as a result of incomplete combustion of fossil fuels can lead to harmful health effects by reducing oxygen delivery to ... fuel cells, and oxygen sensors. The oxygen storage and release in ceria is favoured by its ...... tion of Fe2O3 → Fe3O4, the consumption of surface. CeO2 and overlapping of the reduction of Fe3O4 →.

  17. A defect density-based constitutive crystal plasticity framework for modeling the plastic deformation of Fe-Cr-Al cladding alloys subsequent to irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Patra, Anirban [Los Alamos National Laboratory; Wen, Wei [Los Alamos National Laboratory; Martinez Saez, Enrique [Los Alamos National Laboratory; Tome, Carlos [Los Alamos National Laboratory

    2016-02-05

    It is essential to understand the deformation behavior of these Fe-Cr-Al alloys, in order to be able to develop models for predicting their mechanical response under varied loading conditions. Interaction of dislocations with the radiation-induced defects governs the crystallographic deformation mechanisms. A crystal plasticity framework is employed to model these mechanisms in Fe-Cr-Al alloys. This work builds on a previously developed defect density-based crystal plasticity model for bcc metals and alloys, with necessary modifications made to account for the defect substructure observed in Fe-Cr-Al alloys. The model is implemented in a Visco-Plastic Self Consistent (VPSC) framework, to predict the mechanical behavior under quasi-static loading.

  18. Chemical synthesis, characterizations and magnetic properties of nanocrystalline Fe{sub 50}Co{sub 50} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Dalavi, Shankar B.; Panda, Rabi Narayan, E-mail: rnp@goa.bits-pilani.ac.in [Department of Chemistry, BITS-Pilani, K. K. Birla Goa Campus, Zuarinagar, Goa-403726 (India); Raja, M. Manivel [Defence Metallurgical Research Laboratory, Hyderabad-500058 (India)

    2014-04-24

    Nanocrystalline Fe{sub 50}Co{sub 50} alloy has been synthesized successfully by chemical reduction route using superhydride as reducing agent and oleic acid and oleylamine as capping agents. Phase purity, crystallite size and lattice parameters of the synthesized NPs are determined by X-ray powder diffraction method. FeCo alloy crystallizes in body centered cubic (bcc) structure having crystallite size equal to 29 nm and lattice parameters equal to 2.8546 Å. The size and shape morphologies of the material were studied by SEM analysis. SEM micrograph study shows the average particle size to be 60 nm and indicates the appearance of agglomerates of the nano-particles consisting of several crystallites. The room temperature magnetic hysteresis studies indicate ferromagnetic behavior of the materials. The values of saturation magnetization and coercivity were 65 emu/g and 460 Oe, respectively. Magnetic properties of the material were interpreted on the basis of fine particle magnetism.

  19. Effect of thermal cycling on the microstructure of a directionally solidified Fe, Cr, Al-TaC eutectic alloy

    Science.gov (United States)

    Harf, F. H.; Tewari, S. N.

    1977-01-01

    Cylindrical bars (1.2 cm diameter) of Fe-13.6Cr-3.7Al-9TaC (wt %) eutectic alloy were directionally solidified in a modified Bridgman type furnace at 1 cm/h. The alloy microstructure consisted of aligned TaC fibers imbedded in a bcc Fe-Cr-Al matrix. Specimens of the alloy were thermally cycled from 1100 to 425 C in a burner rig. The effects of 1800 thermal cycles on the microstructure was examined by scanning electron microscopy, revealing a zig-zag shape of TaC fibers aligned parallel to the growth direction. The mechanism of carbide solution and reprecipitation on the (111) easy growth planes, suggested previously to account for the development of irregular serrations in Co-Cr-Ni matrix alloys, is believed to be responsible for these zig-zag surfaces.

  20. Morphology, magnetic and resonance properties of Fe/MgO multilayers

    International Nuclear Information System (INIS)

    Garcia-Garcia, A; Algarabel, P A; Ibarra, M R; Vovk, A; Strichovanec, P; Pardo, J A; Magen, C; Golub, V; Salyuk, O

    2011-01-01

    Magnetic, resonance and transport properties of Fe(t nm)/MgO(3.0 nm) multilayers prepared by pulsed laser deposition were investigated. Comparison of the data allows conclusions on Fe layers morphology. For t 1.25 nm a continuous coverage of MgO by Fe takes place. However, the morphology of Fe layers is rough. This causes the appearance of magnetostatic resonance modes analogous to those observed for continuous films deposited on embossed surfaces.

  1. Electronic Properties of LiFePO4 and Li doped LiFePO4

    International Nuclear Information System (INIS)

    Zhuang, G.V.; Allen, J.L.; Ross, P.N.; Guo, J.-H.; Jow, T.R.

    2005-01-01

    The potential use of different iron phosphates as cathode materials in lithium-ion batteries has recently been investigated.1 One of the promising candidates is LiFePO4. This compound has several advantages in comparison to the state-of-the-art cathode material in commercial rechargeable lithium batteries. Firstly, it has a high theoretical capacity (170 mAh/g). Secondly, it occurs as mineral triphylite in nature and is inexpensive, thermally stable, non-toxic and non-hygroscopic. However, its low electronic conductivity (∼10-9 S/cm) results in low power capability. There has been intense worldwide research activity to find methods to increase the electronic conductivity of LiFePO4, including supervalent ion doping,2 introducing non-carbonaceous network conduction3 and carbon coating, and the optimization of the carbon coating on LiFePO4 particle surfaces.4 Recently, the Li doped LiFePO4 (Li1+xFe1-xPO4) synthesized at ARL has yield electronic conductivity increase up to 106.5 We studied electronic structure of LiFePO4 and Li doped LiFePO4 by synchrotron based soft X-ray emission (XES) and X-ray absorption (XAS) spectroscopies. XAS probes the unoccupied partial density of states, while XES the occupied partial density of states. By combining XAS and XES measurements, we obtained information on band gap and orbital character of both LiFePO4 and Li doped LiFePO4. The occupied and unoccupied oxygen partial density of states (DOS) of LiFePO4 and 5 percent Li doped LiFePO4 are presented in Fig. 1. Our experimental results clearly indicate that LiFePO4 has wideband gap (∼ 4 eV). This value is much larger than what is predicted by DFT calculation. For 5 percent Li doped LiFePO4, a new doping state was created closer to the Fermi level, imparting p-type conductivity, consistent with thermopower measurement. Such observation substantiates the suggestion that high electronic conductivity in Li1.05Fe0.95 PO4 is due to available number of charge carriers in the material

  2. Valence electron structure analysis of the cubic silicide intermetallics in rapidly solidified Al-Fe-V-Si alloy

    International Nuclear Information System (INIS)

    Wang, J.Q.; Qian, C.F.; Zhang, B.J.; Tseng, M.K.; Xiong, S.W.

    1996-01-01

    The application of rapid solidification for the development of elevated temperature aluminum alloys has resulted in the emergence of several alloys based on the Al-Fe alloy system. Of particular interest are Al-Fe-V-Si alloys which have excellent room temperature and high temperature mechanical properties. In a pioneering study, Skinner et al. showed the stabilization of the cubic phase in ternary Al-Fe-Si alloy by the addition of a quaternary element, vanadium. The evolution of the microstructure in these alloys both during rapid solidification and subsequent processing is of crucial importance. Kim has demonstrated that the composition of the silicide phase in rapidly solidified Al-Fe-V-Si alloy is very close to Al 12 (Fe,V) 3 Si with the body centered cubic (bcc) structure. The structure is closely related to that of quasicrystals.In view of the structural features and the relationship between the α 12 and α 13 phases, the researching emphasis should firstly be put on the α 12 phase. In this paper the authors analyzed the α -(AlFeSi)(α 12 -type) phase from the angle of atomic valence electron structure other than the traditional methods of obtaining the diffraction spots of the phase. Several pieces of information were obtained about the hybrid levels and bond natures of every kind of atom in the α -(AlFeSi) phase. Finally the authors explained the phenomenon which V atom can substitute for Fe atom in the α 12 phase and improve the thermal stability of the phase in Al-Fe-V-Si alloy

  3. Properties of Fe{sub 8−N}Co{sub N} nanoribbons and nanowires: A DFT approach

    Energy Technology Data Exchange (ETDEWEB)

    Muñoz, Francisco [Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Germany); Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago 7800024 (Chile); Centro para el Desarrollo de la Nanociencia y la Nanotecnología, CEDENNA, Avda. Ecuador 3493, Santiago 9170124 (Chile); Altbir, D. [Centro para el Desarrollo de la Nanociencia y la Nanotecnología, CEDENNA, Avda. Ecuador 3493, Santiago 9170124 (Chile); Departamento de Física, Universidad de Santiago (Chile); Kiwi, Miguel, E-mail: m.kiwi.t@gmail.com [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago 7800024 (Chile); Centro para el Desarrollo de la Nanociencia y la Nanotecnología, CEDENNA, Avda. Ecuador 3493, Santiago 9170124 (Chile); Morán-López, J.L. [Departamento de Física, Laboratorio Interdisciplinario, Facultad de Ciencias, Universidad Nacional Autónoma de México, México, D.F. (Mexico)

    2013-08-15

    The structural configurations and magnetic properties of zig-zag nanoribbons and nanowires of Fe{sub 8−N}Co{sub N}, for 0≤N≤8, are calculated within the density functional theory. Both, for the zig-zag nanoribbons and the nanowires, there is a tendency towards forming Fe–Co bonds, while segregation of the Fe and Co is energetically unfavorable. For the nanowire structures a transition from bcc Fe to hcp Co spatial arrangements is observed when N is increased from 4 to 6, in spite of the small size of the systems under investigation. The energy minimization was performed taking into consideration the electronic and magnetic structures, since for each crystalline structure, chemical composition, and short range order, particular magnetic properties of these systems do correspond. The magnetocrystalline anisotropy energy is calculated, and it is found that the easy axis changes from a transverse direction in Fe-rich systems, to the axial direction as the Co concentration increases. It is also found that although there are important variations of the local magnetic moment of the components, and their particular location in the system, the average magnetic moment is an almost linear function of N. - Highlights: ► Properties of Fe{sub 8−N}Co{sub N} nanoribbons and nanowires are calculated ab initio. ► Structural and magnetic properties of nanoribbons and nanowires are calculated. ► Shape and crystalline anisotropies of nanoribbons and nanowires are contrasted.

  4. Fe atom exchange between aqueous Fe2+ and magnetite.

    Science.gov (United States)

    Gorski, Christopher A; Handler, Robert M; Beard, Brian L; Pasakarnis, Timothy; Johnson, Clark M; Scherer, Michelle M

    2012-11-20

    The reaction between magnetite and aqueous Fe(2+) has been extensively studied due to its role in contaminant reduction, trace-metal sequestration, and microbial respiration. Previous work has demonstrated that the reaction of Fe(2+) with magnetite (Fe(3)O(4)) results in the structural incorporation of Fe(2+) and an increase in the bulk Fe(2+) content of magnetite. It is unclear, however, whether significant Fe atom exchange occurs between magnetite and aqueous Fe(2+), as has been observed for other Fe oxides. Here, we measured the extent of Fe atom exchange between aqueous Fe(2+) and magnetite by reacting isotopically "normal" magnetite with (57)Fe-enriched aqueous Fe(2+). The extent of Fe atom exchange between magnetite and aqueous Fe(2+) was significant (54-71%), and went well beyond the amount of Fe atoms found at the near surface. Mössbauer spectroscopy of magnetite reacted with (56)Fe(2+) indicate that no preferential exchange of octahedral or tetrahedral sites occurred. Exchange experiments conducted with Co-ferrite (Co(2+)Fe(2)(3+)O(4)) showed little impact of Co substitution on the rate or extent of atom exchange. Bulk electron conduction, as previously invoked to explain Fe atom exchange in goethite, is a possible mechanism, but if it is occurring, conduction does not appear to be the rate-limiting step. The lack of significant impact of Co substitution on the kinetics of Fe atom exchange, and the relatively high diffusion coefficients reported for magnetite suggest that for magnetite, unlike goethite, Fe atom diffusion is a plausible mechanism to explain the rapid rates of Fe atom exchange in magnetite.

  5. An iron complex with an unsupported Fe-Fe bond.

    Science.gov (United States)

    Murillo, Carlos A

    2009-01-01

    Full metal bonding: The reduction of a six-coordinate, mononuclear Werner-type iron(II) complex (see scheme) resulted in the isolation of a compound with an extraordinarily rare, unsupported Fe-Fe bond having an experimental Fe-Fe distance of 2.6869(6) A and a calculated bond order of 0.5.

  6. The Phase Evolution and Property of FeCoCrNiAlTix High-Entropy Alloying Coatings on Q253 via Laser Cladding

    Directory of Open Access Journals (Sweden)

    Bin He

    2017-09-01

    Full Text Available High-entropy alloys (HEAs are emerging as a hot research frontier in the metallic materials field. The study on the effect of alloying elements on the structure and properties of HEAs may contribute to the progress of the research and accelerate the application in actual production. FeCoCrNiAlTix (x = 0, 0.25, 0.5, 0.75, and 1 in at.%, respectively HEA coatings with different Ti concentrations were produced on Q235 steel via laser cladding. The constituent phases, microstructure, hardness, and wear resistance of the coatings were investigated by XRD, SEM, microhardness tester and friction-wear tester, respectively. The results show that the structure of the coating is a eutectic microstructure of FCC and BCC1 at x = 0. The structure of coatings consists of both proeutectic FCC phase and the eutectic structure of BCC1 and BCC2. With the continuous addition of Ti, the amount of eutectic structure decreases. The average hardness of the FeCoCrNiAlTix HEA coatings at x = 0, 0.25, 0.5, 0.75, and 1 are 432.73 HV, 548.81 HV, 651.03 HV, 769.20 HV, and 966.29 HV, respectively. The hardness of coatings increases with the addition of Ti, where the maximum hardness is achieved for the HEA at x = 1. The wear resistance of the HEA coatings is enhanced with the addition of Ti, and the main worn mechanism is abrasive wear.

  7. Microstrucural characterization of gas atomized Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} and Fe{sub 97}Si{sub 3} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Escorial, A., E-mail: age@cenim.csic.es [CENIM-CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Lieblich, M. [CENIM-CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Lopez, M.; Marin, P. [Instituto de Magnetismo Aplicado, P.O. Box 155, 28230 Madrid (Spain)

    2011-06-15

    Research highlights: > Two FeSi-base alloys as precursors for small dimension soft magnets. > Small particles rapidly solidified by gas atomisation. > Increase effective magnetic anisotropy constant by alloying segregation. > Magnetic hardenning due to volume decrease. - Abstract: Powder particles of Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} and Fe{sub 97}Si{sub 3} soft magnetic alloys have been prepared by gas atomization. The gas atomized powder was microstructurally characterized and the dependence of coercivity with the composition and powder particle size investigated. As-atomized powder particles of both compositions were constituted by a bcc {alpha}-Fe (Si) solid solution. The Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} powder particles presented a grain microstructure with dendrite structure, which dendrite arms were enriched in Nb. The coercivity increased as the particle size decreased, with a minimum coercivity, of 5 Oe, measured in the Fe{sub 97}Si{sub 3} alloy in the range of 50-100 {mu}m powder particle size. The coercive fields were quite higher in the Fe{sub 73.5}Si{sub 13.5}B{sub 9}Nb{sub 3}Cu{sub 1} than in the Fe{sub 97}Si{sub 3} powder, due to the Nb addition, which produced a phase segregation that leads to a noticeable magnetic hardening.

  8. Photoelectron diffraction of magnetic ultrathin films: Fe/Cu(001)

    Energy Technology Data Exchange (ETDEWEB)

    Tobin, J.G. (Lawrence Livermore National Lab., CA (USA)); Wagner, M.K. (Wisconsin Univ., Madison, WI (USA). Dept. of Chemistry); Guo, X.Q.; Tong, S.Y. (Wisconsin Univ., Milwaukee, WI (USA). Dept. of Physics)

    1991-01-03

    The preliminary results of an ongoing investigation of Fe/Cu(001) are presented here. Energy dependent photoelectron diffraction, including the spin-dependent variant using the multiplet split Fe3s state, is being used to investigate the nanoscale structures formed by near-monolayer deposits of Fe onto Cu(001). Core-level photoemission from the Fe3p and Fe3s states has been generated using synchrotron radiation as the tunable excitation source. Tentatively, a comparison of the experimental Fe3p cross section measurements with multiple scattering calculations indicates that the Fe is in a fourfold hollow site with a spacing of 3.6{Angstrom} between it and the atom directly beneath it, in the third layer. This is consistent with an FCC structure. The possibility of utilizing spin-dependent photoelectron diffraction to investigate magnetic ultrathin films will be demonstrated, using our preliminary spectra of the multiplet-split Fe3s os near-monolayer Fe/Cu(001). 18 refs., 10 figs.

  9. Formation and migration of oxygen vacancies in La(1-x)Sr(x)Co(1-y)Fe(y)O(3-δ) perovskites: insight from ab initio calculations and comparison with Ba(1-x)Sr(x)Co(1-y)Fe(y)O(3-δ).

    Science.gov (United States)

    Mastrikov, Yuri A; Merkle, Rotraut; Kotomin, Eugene A; Kuklja, Maija M; Maier, Joachim

    2013-01-21

    The formation and migration of oxygen vacancies in the series of (La,Sr)(Co,Fe)O(3-δ) perovskites, which can be used as mixed conducting SOFC cathode materials and oxygen permeation membranes, are explored in detail by means of first principles density functional calculations. Structure distortions, charge redistributions and transition state energies during the oxygen ion migration are obtained and analyzed. Both the overall chemical composition and vacancy formation energy are found to have only a small impact on the migration barrier; it is rather the local cation configuration which affects the barrier. The electron charge transfer from the migrating O ion towards the transition metal ion in the transition state is much smaller in (La,Sr)(Co,Fe)O(3-δ) compared to (Ba,Sr)(Co,Fe)O(3-δ) perovskites where such a charge transfer makes a significant contribution to the low migration barriers observed (in particular for high Ba and Co content).

  10. Laser MBE-grown CoFeB epitaxial layers on MgO: Surface morphology, crystal structure, and magnetic properties

    Science.gov (United States)

    Kaveev, Andrey K.; Bursian, Viktor E.; Krichevtsov, Boris B.; Mashkov, Konstantin V.; Suturin, Sergey M.; Volkov, Mikhail P.; Tabuchi, Masao; Sokolov, Nikolai S.

    2018-01-01

    Epitaxial layers of CoFeB were grown on MgO by means of laser molecular beam epitaxy using C o40F e40B20 target. The growth was combined with in situ structural characterization by three-dimensional reciprocal space mapping obtained from reflection high energy electron diffraction (RHEED) data. High-temperature single stage growth regime was adopted to fabricate CoFeB layers. As confirmed by the atomic force microscopy, the surface of CoFeB layers consists of closely spaced nanometer sized islands with dimensions dependent on the growth temperature. As shown by RHEED and XRD analysis, the CoFeB layers grown at high-temperature on MgO(001) possess body centered cubic (bcc) crystal structure with the lattice constant a =2.87 Å close to that of the C o75F e25 alloy. It was further shown that following the same high-temperature growth technique the MgO/CoFeB/MgO(001) heterostructures can be fabricated with top and bottom MgO layers of the same crystallographic orientation. The CoFeB layers were also grown on the GaN(0001) substrates using MgO(111) as a buffer layer. In this case, the CoFeB layers crystallize in bcc crystal structure with the (111) axis perpendicular to the substrate surface. The magnetic properties of the CoFeB/MgO (001) heterostructures have been investigated by measuring magnetization curves with a vibrating sample magnetometer as well as by performing magneto-optical Kerr effect (MOKE) and ferromagnetic resonance (FMR) studies. FMR spectra were obtained for the variety of the magnetic field directions and typically consisted of a single relatively narrow resonance line. The magnetization orientations and the resonance conditions were calculated in the framework of a standard magnetic energy minimization procedure involving a single K1 c cubic term for the magnetocrystalline anisotropy. This allows a fairly accurate description of the angular dependences of the resonance fields—both in-plane and out-of-plane. It was shown that CoFeB layers exhibit

  11. The comparison of micro elements (Mn, Fe and Zn and heavy metals (Co, Cr and Cd in the soil of perennial farms of saffron (Crocus sativus L. in southern Khorasan Province

    Directory of Open Access Journals (Sweden)

    Mohammad Ali Behdani

    2016-05-01

    Full Text Available In order to study concentrations of soil micro and heavy metal elements in some saffron planting regions of Birjand Province, an experiment was performed as factorial layout based on a completely randomized block design with three replications at year 2013. Treatments were three field ages (annual, triennial and quinquennial and five saffron regions including Aryan shahr, Hosseinabad, Khosef, Golferiz and Mahmoei. Soil microelement and hevey methal concentrations such as Fe, Zn, Mn, Co, Cr and Cd of soil were measured. The results showed that the concentrations of Fe, Zn, Mn and Cr in soil were significantly affected by field age (p≤0.05. Effect of planting region was significant on soil Fe, Zn, Mn, Co and Cr concentrations (p≤0.01. Interaction effects between field age and planting region were significant on Fe, Zn and Co concentrations (p≤0.01. By increasing in field age soil Zn concentration was declined and heavy metal concentrations such as Co, Cr and Cd of soil were enhanced. Mn concentration in the quinquennial fields was 29 and 34% higher than annual and triennial first fields, respectively. Co content in the quinquennial fields was 53 and 46% higher than annual and triennial first fields, respectively. The maximum and minimum Fe concentrations were observed with 1.65 and 0.77 ppm for the fields of Khosef and Hosseinabad, respectively. The highest and lowest Fe concentrations were obtained with 2.436 and 0.77 ppm for the annual fields of Khosef and Hosseinabad, respectively. The highest Co concentrations were recorded in Hosseinabad and Khosef fields with 8.7 and 4.31 ppm, respectively. Thus, it is recommended to use ecological managemens such as reducing the application of chemical fertilizers and improving the organic fertilizers to decline the concentrations of these elements in saffron fields.

  12. Fe Core–Carbon Shell Nanoparticles as Advanced MRI Contrast Enhancer

    Directory of Open Access Journals (Sweden)

    Rakesh P. Chaudhary

    2017-10-01

    Full Text Available The aim of this study is to fabricate a hybrid composite of iron (Fe core–carbon (C shell nanoparticles with enhanced magnetic properties for contrast enhancement in magnetic resonance imaging (MRI. These new classes of magnetic core–shell nanoparticles are synthesized using a one-step top–down approach through the electric plasma discharge generated in the cavitation field in organic solvents by an ultrasonic horn. Transmission electron microscopy (TEM observations revealed the core–shell nanoparticles with 10–85 nm in diameter with excellent dispersibility in water without any agglomeration. TEM showed the structural confirmation of Fe nanoparticles with body centered cubic (bcc crystal structure. Magnetic multi-functional hybrid composites of Fe core–C shell nanoparticles were then evaluated as negative MRI contrast agents, displaying remarkably high transverse relaxivity (r2 of 70 mM−1·S−1 at 7 T. This simple one-step synthesis procedure is highly versatile and produces desired nanoparticles with high efficacy as MRI contrast agents and potential utility in other biomedical applications.

  13. Soft magnetic properties and damping parameter of (FeCo-Al alloy thin films

    Directory of Open Access Journals (Sweden)

    Isao Kanada

    2017-05-01

    Full Text Available For high frequency device applications, a systematic study of the soft magnetic properties and magnetization dynamics of (FeCo-Al alloy thin films has been carried out. A low effective damping parameter αeff of 0.002 and a high saturation magnetization of about 1,800 emu/cc are obtained at y=0.2∼0.3 for (Fe1-yCoy98Al2 alloy thin films deposited onto fused silica and MgO(100 at an ambient temperature during deposition. Those films are of the bcc structure with the orientation normal to the film plane. They possess a columnar structure, grown along the film normal. The column width is found to be about 20 nm for y=0.25. It is concluded that the (FeCo-Al thin films with a damping parameter as low as 0.002 and high saturation magnetization of about 1,800 emu/cc have been successfully fabricated, and that they are potential for future high frequency device applications.

  14. Spatially modulated magnetic structure of AgFeO2: Mössbauer study on 57Fe nuclei

    Science.gov (United States)

    Rusakov, V. S.; Presnyakov, I. A.; Sobolev, A. V.; Gapochka, A. M.; Matsnev, M. E.; Belik, A. A.

    2014-01-01

    The results of the Mössbauer study of ferrite AgFeO2 manifesting multiferroic properties (at T ≤ T N2) have been presented. The hyperfine interaction parameters of 57Fe nuclei have been analyzed in a wide temperature range including the points of two magnetic phase transitions ( T N2 ≈ 7-9 K and T N1 ≈ 15-16 K). It has been shown that the Mössbauer spectra of the 57Fe nuclei are sensitive to the variations of the character of the magnetic ordering of Fe3+ ions in the studied ferrite. The results of the model identification of a series of spectra (4.7 K ≤ T ≤ T N2) under the assumption of the cycloid magnetic structure of ferrite AgFeO2 have been presented. The analysis of the results has been performed in comparison with the literature data for other oxide multiferroics.

  15. Nature of magnetic domains in an exchange coupled BiFeO3/CoFe heterostructure

    Science.gov (United States)

    Qiu, D. Y.; Ashraf, K.; Salahuddin, S.

    2013-03-01

    We use the micromagnetic model to simulate magnetization in a multidomain BiFeO3(BFO)/CoFe bilayer. We show that CoFe couples to weak ferromagnetism on the BFO surface and breaks into domains that correspond exactly with BFO domains. Switching the direction of the BFO spins switches the corresponding CoFe domains and reverses the net magnetization. Since magnetization is coupled to polarization in BFO, this demonstrates a mechanism for controlling magnetization reversal with an electric field. Comparison with experimental values of BFO surface moment and hysteresis allows us to extract BFO/CoFe exchange and spin canting energies and predict behavior for domains of varying sizes.

  16. Na7 [Fe2S6 ] , Na2 [FeS2 ] and Na2 [FeSe2 ] : New 'reduced' sodium chalcogenido ferrates

    Science.gov (United States)

    Stüble, Pirmin; Peschke, Simon; Johrendt, Dirk; Röhr, Caroline

    2018-02-01

    Three new 'reduced' FeII containing sodium chalcogenido ferrates were obtained applying a reductive synthetic route. The mixed-valent sulfido ferrate Na7 [Fe2S6 ] , which forms bar-shaped crystals with metallic greenish luster, was synthesized in pure phase from natural pyrite and elemental sodium at a maximum temperature of 800 °C. Its centrosymmetric triclinic structure (SG P 1 bar , a = 764.15(2), b = 1153.70(2), c = 1272.58(3) pm, α = 62.3325 (7) , β = 72.8345 (8) , γ = 84.6394 (8) ° , Z = 3, R1 = 0.0185) exhibits two crystallographically different [Fe2S6 ] 7 - dimers of edge-sharing [FeS4 ] tetrahedra, with somewhat larger Fe-S distances than in the fully oxidized FeIII dimers of e.g. Na6 [Fe2III S6 ] . In contrast to the localized AFM ordered pure di-ferrates(III), the Curie-Weiss behavior of the magnetic susceptibility proves the rarely observed valence-delocalized S = 9/2 state of the mixed-valent FeIII /FeII dimer. The nearly spin-only value of the magnetic moment combined with the chemical bonding not generally differing from that in pure ferrates(II) and (III), provides a striking argument, that the reduction of the local Fe spin moments observed in all condensed sulfido ferrate moieties is connected with the AFM spin ordering. The two isotypic ferrates(II) Na2 [FeS2 ] and Na2 [FeSe2 ] with chain-like structural units (SG Ibam, a = 643.54(8)/ 660.81(1), b = 1140.2(2)/1190.30(2) c = 562.90(6)/585.59(1) pm, Z = 4, R1 = 0.0372/0.0466) crystallize in the K2 [ZnO2 ] -type structure. Although representing merely further members of the common series of chalcogenido metallates(II) Na2 [MIIQ2 ] , these two new phases, together with Na6 [FeS4 ] and Li2 [FeS2 ] , are the only examples of pure FeII alkali chalcogenido ferrates. The new compounds allow for a general comparison of di- and chain ferrates(II) and (III) and mixed-valent analogs concerning the electronic and magnetic properties (including Heisenberg super-exchange and double-exchange interactions

  17. Electronic, magnetic and ferroelectric properties of rhombohedral AgFeO2: an ab initio study

    OpenAIRE

    Chakraborty, Jayita; Dasgupta, Indra

    2017-01-01

    Using first principle calculations under the framework of density functional theory we have investigated the electronic structure, magnetism and ferroelectric polarization in the triangular lattice antiferromagnet AgFeO2, and its comparison to the isostructural system CuFeO2. Our calculations reveal that spin orbit interaction plays an important role in determining the magnetic property of AgFeO2 and is possibly responsible for its different magnetic ground state in comparison to CuFeO2. Calc...

  18. Atomistic modeling of an impurity element and a metal-impurity system: pure P and Fe-P system

    International Nuclear Information System (INIS)

    Ko, Won-Seok; Lee, Byeong-Joo; Kim, Nack J

    2012-01-01

    An interatomic potential for pure phosphorus, an element that has van der Waals, covalent and metallic bonding character, simultaneously, has been developed for the purpose of application to metal-phosphorus systems. As a simplification, the van der Waals interaction, which is less important in metal-phosphorus systems, was omitted in the parameterization process and potential formulation. On the basis of the second-nearest-neighbor modified embedded-atom method (2NN MEAM) interatomic potential formalism applicable to both covalent and metallic materials, a potential that can describe various fundamental physical properties of a wide range of allotropic or transformed crystalline structures of pure phosphorus could be developed. The potential was then extended to the Fe-P binary system describing various physical properties of intermetallic compounds, bcc and liquid alloys, and also the segregation tendency of phosphorus on grain boundaries of bcc iron, in good agreement with experimental information. The suitability of the present potential and the parameterization process for atomic scale investigations about the effects of various non-metallic impurity elements on metal properties is demonstrated. (paper)

  19. Comparison of the FE/FE and FV/FE treatment of fluid-structure interaction

    OpenAIRE

    R. El Maani; B. Radi

    2015-01-01

    International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computa...

  20. Small-angle neutron scattering in F.C.C. Fe-Ni and Fe-Ni-C alloys

    Energy Technology Data Exchange (ETDEWEB)

    Nadutov, V.M.; Svystunov, Y.O. [G.V. Kurdyumov Inst. for Metal Physics of the N.A.S. of Ukraine, Kyiv (Ukraine); Garamus, V.M.; Willumeit, R. [GKSS Research Centre, Geesthacht (Germany)

    2004-07-01

    Small-angle neutron scattering was studied in Invar Fe-Ni-C alloys in comparison with the Fe-Ni alloy. Moessbauer measurement was carried out to indicate magnetic structure. The nonlinear SANS curves were analysed using a power law function and the Porod approximation and interpreted in terms of aggregates characterized by smooth surfaces or fractal properties. The size and shape of the inhomogeneities were estimated by using the Indirect Fourier Transformation analysis. (orig.)

  1. A comparison of Cu, Pb, As, Cd, Zn, Fe, Ni and Mn determined by acid extraction/ICP-OES and ex situ field portable X-ray fluorescence analyses.

    Science.gov (United States)

    Kilbride, C; Poole, J; Hutchings, T R

    2006-09-01

    Total concentrations of Cu, Pb, As, Cd, Zn, Fe, Ni and Mn were determined for 81 soil samples using two types of field portable X-ray fluorescence (FPXRF) system; dual isotope and X-ray tube. FPXRF metal concentrations were statistically compared with analytical results from aqua regia extractions followed by Inductively Coupled Plasma-Optical Emission Spectrometry (ICP-OES) analysis. The ability of each FPXRF instrument to produce analytical results comparable to the reference method was assessed by linear regression. A high degree of linearity was found for Fe and Pb with the X-ray tube instrument and for Fe, Cu, Pb, Zn, Cd and Mn with the dual source instrument. FPXRF analyser performance improved with increased analysis time for Cu, Mn and Pb, whilst Fe, Zn, Cd, Ni and As showed no significant improvement. Particle size did not influence FPXRF analyser performance. Both the dual isotope and the X-ray tube FPXRF instruments are effective tools for rapid, quantitative assessment of soil metal contamination and for monitoring the efficacy of remediation strategies.

  2. Structural characterization and Mössbauer studies of nanocrystalline Fe{sub 60}Ni{sub 20}Cr{sub 10}B{sub 10} alloy prepared by high energy ball milling

    Energy Technology Data Exchange (ETDEWEB)

    Slimi, M., E-mail: msrammeh@yahoo.fr [Laboratoire de Chimie Inorganique, UR-11-ES-73, université de Sfax, B.P. 1171, 3000 Sfax (Tunisia); Azabou, M. [Laboratoire de Chimie Inorganique, UR-11-ES-73, université de Sfax, B.P. 1171, 3000 Sfax (Tunisia); Suñol, J.J. [Departament de Fisica, Universitat de Girona, Campus Montilivi, Girona 17071 (Spain); Khitouni, M. [Laboratoire de Chimie Inorganique, UR-11-ES-73, université de Sfax, B.P. 1171, 3000 Sfax (Tunisia); Greneche, J.M. [LUNAM, Institut des Molécules et Matériaux du Mans, IMMM UMR CNRS 6283, Université du Maine, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9 (France)

    2015-11-01

    Nanostructured Fe(Ni,Cr) and NiFe solid state powders were elaborated from elemental powders of Fe, Ni, Cr and B using planetary high-energy ball mill. Scanning electron microscopy (SEM) was employed to examine the morphology of the powdered samples as a function of milling time. The transformations occurring in the material during milling were studied at the atomic scale with the use of X-ray diffraction and {sup 57}Fe Mössbauer spectrometry. The thermal behavior of the milled powders was examined by differential scanning calorimetry (DSC). The results, as well as dissimilarity between calorimetric curves of the powders after 10 and 50 h of milling, indicated the formation of a nanostructured Fe(Ni,Cr) and NiFe solid solutions. - Highlights: • It is a complete study about the alloying process of a nanostructured alloy. • We establish the relation between microstructure and structure defects. • Mössbauer analysis confirms the coexistence of the bcc-Fe(Ni,Cr) and fcc-Ni(Fe) solid solutions.

  3. Comparison of classical fenton, nitrilotriacetic acid (NTA)-Fenton, UV-Fenton, UV photolysis of Fe-NTA, UV-NTA-Fenton, and UV-H2O2for the degradation of cyclohexanoic acid.

    Science.gov (United States)

    Zhang, Ying; Klamerth, Nikolaus; Chelme-Ayala, Pamela; Gamal El-Din, Mohamed

    2017-05-01

    The treatment of a naphthenic acid model compound, cyclohexanoic acid, with classical Fenton, UV-H 2 O 2 , UV-Fenton, nitrilotriacetic acid (NTA)-Fenton, UV-NTA-Fenton, and UV photolysis of Fe-NTA processes at pHs 3 and 8 was investigated. At 1.47 mM H 2 O 2 , 0.089 mM Fe, and 0.18 mM NTA, the UV-NTA-Fenton process at pH 3 exhibited the highest H 2 O 2 decomposition (100% in 25 min), CHA removal (100% in 12 min) with a rate constant of 0.27 ± 0.025 min -1 , and NTA degradation (100% in 6 min). Due to the formation of H 2 O 2 -Fe(III)NTA adduct, the total Fe concentration in the UV-NTA-Fenton system (0.063 mM at the end of the reaction) at pH 8 was much higher than that in the UV photolysis of Fe(III)NTA process (0.024 mM). The co-complexing effect of borate buffer helped to keep iron soluble; however, it imposed a negative influence on the CHA degradation in the UV-NTA-Fenton process (68% CHA removal in 60 min in the borate buffer compared to 92% in MilliQ water). The results demonstrated that the most efficient process for the CHA degradation under the experimental conditions was the UV-NTA-Fenton process at pH 3. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Effects of local structure on helium bubble growth in bulk and at grain boundaries of bcc iron: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Li [Univ. of Electronic Science and Technology of China, Chengdu (China); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gao, Fei [Univ. of Michigan, Ann Arbor, MI (United States); Kurtz, Richard J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zu, Xiaotao [Univ. of Electronic Science and Technology of China, Chengdu (China); Peng, S. M. [China Academy of Engineering Physics, Mianyang (China); Long, X. G. [China Academy of Engineering Physics, Mianyang (China); Zhou, X. S. [China Academy of Engineering Physics, Mianyang (China)

    2015-07-15

    The nucleation and growth of helium (He) bubbles in the bulk and at Σ3 <110> {112} and Σ73b <110> {661} grain boundaries (GBs) in bcc iron have been investigated using molecular dynamics simulations. The results show that a 1/2 <111> {111} dislocation loop is formed with the sequential collection of <111> interstitial crowdions at the periphery of the He cluster and is eventually emitted from the He cluster. Insertion of 45 He atoms into a He cluster leads to the formation of a 1/2 <111> dislocation loop in Σ3 GB. It is of interest to notice that the transition of a dislocation segment through the GB leads to the formation of a step at the GB plane following the loop formation, accounting for the formation of a residual GB defect. A 1/2 <111> loop, with a {110} habit plane, is emitted with further increase of the He bubble size in the Σ3 GB. In contrast, the sequential insertion of He atoms in Σ73b GB continuously emits self-interstitial atoms (SIAs), but these SIAs rearrange at the core of the inherent GB dislocation, instead of forming a dislocation loop, which leads the GB dislocation to propagate along the [1¯1¯ 1 2] direction. In the bulk and Σ3 GB, the He bubble exhibits three-dimensionally spherical shape, but it forms longitudinal shape along the dislocation line in the Σ73 GB, a shape commonly observed at GBs in experiments.

  5. A thermodynamic model for predicting surface melting and overheating of different crystal planes in BCC, FCC and HCP pure metallic thin films

    International Nuclear Information System (INIS)

    Jahangir, Vafa; Riahifar, Reza; Sahba Yaghmaee, Maziar

    2016-01-01

    In order to predict as well as study the surface melting phenomena in contradiction to surface overheating, a generalized thermodynamics model including the surface free energy of solid and the melt state along with the interfacial energy of solid–liquid (melt on substrate) has been introduced. In addition, the effect of different crystal structures of surfaces in fcc, bcc and hcp metals was included in surface energies as well as in the atomistic model. These considerations lead us to predict surface melting and overheating as two contradictory melting phenomena. The results of the calculation are demonstrated on the example of Pb and Al thin films in three groups of (100), (110) and (111) surface planes. Our conclusions show good agreement with experimental results and other theoretical investigations. Moreover, a computational algorithm has been developed which enables users to investigate the surface melt or overheating of single component metallic thin film with variable crystal structures and different crystalline planes. This model and developed software can be used for studying all related surface phenomena. - Highlights: • Investigating the surface melting and overheating phenomena • Effect of crystal orientations, surface energies, geometry and different atomic surface layers • Developing a computational algorithm and its related code (free-software SMSO-Ver1) • Thickness and orientation of surface plane dominate the surface melting or overheating. • Total excess surface energy as a function of thickness and temperature explains melting.

  6. Effect of Zr Addition on Microstructure and Corrosion Properties of AlFeCrCoCuZrx High-entropy Alloys

    Directory of Open Access Journals (Sweden)

    XIE Hong-bo

    2016-06-01

    Full Text Available The microstructure, hardness and the corrosion resistance in 3.5% NaCl solution of the as-cast AlFeCrCoCuZrx(x=0, 0.5, 1 high-entropy alloys were investigated. The results show that typically cast dendrite structure is formed in the alloys. With the increase of Zr addition, phases in the dendrite region change from single BCC structure to two phases, while phase in the interdendrite region is Cu-rich FCC structure and kept unchanged. The hardness of the alloys increases with the increase of Zr addition and hardness AlFeCrCoCuZr alloy reaches the maximum of HV 698. The corrosion resistance of these alloys in 3.5% NaCl solution is better than that of 304L stainless steel, however as the Zr content increases, the corrosion resistance of alloys is degenerated.

  7. Local moments and magnetic correlations above the Curie temperature in thin films on and embedded in nonmagnetic substrates: Fe/Cu(100), Co/Cu(100), and Fe/W(100)

    Science.gov (United States)

    Razee, S. S.; Staunton, J. B.; Szunyogh, L.; Györffy, B. L.

    2002-09-01

    We describe a mean-field theory of magnetic fluctuations in layered metallic materials at finite temperatures. It has a first-principles electronic structure basis and uses the spin-polarized screened Korringa-Kohn-Rostoker method and the coherent-potential approximation to describe the effects of the fluctuating ``local moments'' upon the electronic structure. At no stage is there a fitting to an effective classical Heisenberg model. From this disordered local moment picture we find the layer dependent paramagnetic spin susceptibility of films and multilayers above the Curie temperature Tc which describes how the type of magnetic correlations varies layer by layer. We study thin films of Fe and Co (1-8 layers) on and embedded in nonmagnetic substrates, specifically bcc-Fe/W(100), fcc-Fe/Cu(100), and fcc-Co/Cu(100). In uncapped Fe/W(100) we find intralayer ferromagnetic correlations in all thicknesses of the iron film except in the layer nearest the W substrate in agreement with experiment. The interlayer couplings are also ferromagnetic and short ranged. There are also ferromagnetic intralayer and interlayer couplings throughout the Co films in fcc-Co/Cu(100). In the Fe/Cu(100) system the top two layers are coupled ferromagnetically and the rest antiferromagnetically. Cu capping has a profound effect upon the magnetic coupling in both Fe/Cu(100) and Co/Cu(100) with Tc showing an oscillating behavior as a function of the cap layer thickness. In contrast there is no dramatic effect when Fe films are embedded in W(100).

  8. Spectroscopic study of synthetic hydrothermal Fe3+-bearing beryl

    Science.gov (United States)

    Taran, Michail N.; Dyar, M. Darby; Khomenko, Vladimir M.

    2017-12-01

    A synthetic hydrothermal beryl Fe-4-51, investigated previously by Taran and Rossman (Am Miner 86:973-980, 2001), was additionally studied by microprobe, Mössbauer, optical absorption, Raman and IR spectroscopy. For comparison, polarized spectra of natural blue aquamarine and Cr3+, Fe3+-bearing alexandrite, both from Brazil, are also presented. Fe-4-51 is a nearly pure Fe3+-bearing beryl, with a homogeneous composition as shown by electron microprobe. Averaging over 22 points gives a formula of Be3.07(Al1.94,{Fe}_{{{0.07}}}^{{{3}+}} )Σ=2.01Si5.95O18, with Fe3+ replacing Al3+ in the octahedral site of the structure. The Mössbauer spectrum is dominated by a broad disordered pattern with beryl-suitable parameters; for Fe2+, IS = 1.21 mm/s, QS = 2.71 mm/s, area ≈ 5% and for Fe3+, IS = 0.34 mm/s, QS = 0.71 mm/s, and area ≈ 67%—are distinguished overlying a broad disordered continuum. The optical absorption spectrum is typical of octahedral Fe3+. From it, the crystal field strength Dq is derived as 1520 cm-1 and the values of Racah parameters of interelectronic repulsion B and C are found to be 665 and 3415 cm-1, respectively. This rather low B value, compared with that of a free Fe3+ ion, 814 cm-1, suggests a comparatively high degree of covalency in the octahedral Fe3+-O bond. Infrared spectra show the presence of channel H2O of both I and II structural type in comparable quantities, about 0.5 and 1 mass%, respectively. Raman data show the expected five bands in the energy range from 300 to 1200 cm-1.

  9. Structural, microstructural and Mössbauer studies of nanocrystalline Fe100-x Alx powders elaborated by mechanical alloying

    Directory of Open Access Journals (Sweden)

    Akkouche K.

    2012-06-01

    Full Text Available Nanocrystalline Fe100-xAlx powders (x= 25, 30, 34 and 40 at % were prepared by the mechanical alloying process using a vario-planetary high-energy ball mill for a milling time of 35 h. The formation and physical properties of the alloys were investigated as a function of Al content by means of X-ray diffraction, scanning electron microscopy (SEM, energy dispersive X-ray and Mössbauer spectroscopy. For all Fe100-xAlx samples, the complete formation of bcc phase was observed after 35 h of milling. As Al content increases, the lattice parameter increases, whereas the grain size decreases from 106 to 12 nm. The powder particle morphology for different compositions was observed by SEM. The Mössbauer spectra were adjusted with a singlet line and a sextet containing two components. The singlet was attributed to the formation of paramagnetic A2 disordered structure rich with Al. About the sextet, the first component indicated the formation of Fe clusters/ Fe-rich phases; however, the second component is characteristic of disordered ferromagnetic phase.

  10. Processing and characterization of AlCoFeNiXTi0,5 (X = Mn, V) high entropy alloys

    International Nuclear Information System (INIS)

    Triveno Rios, C.; Kiminami, C.S.

    2014-01-01

    The microstructure of high entropy alloys consists of solid solution phases with FC and BCC simple structures, contrary to classical metallurgy where they form complex structures of intermetallic compounds. Because of this they have several attractive properties for engineering applications. In this work the AlCoFeNiMnTi 0,5 and AlCoFeNiVTi 0,5 alloys were processed by melting arc. Since the main objective was the microstructural and mechanical characterization of ingots as-cast. The alloys were characterized by scanning electron microscopy, X-ray diffraction, microhardness and cold compression test. The results showed that the microstructure consists mainly of dendrites and interdendritic regions consisting of metastable crystalline phases. It was also observed that the AlCoFeNiVTi 0,5 alloy showed better mechanical properties than the AlCoFeNiMnTi 0,5 alloy. This may be associated with differences in the parameters of formation of simple solid solution phases between the two alloys. (author)

  11. Magnetic properties of ball-milled Fe0.6Mn0.1Al0.3 alloys

    International Nuclear Information System (INIS)

    Rebolledo, A.F.; Romero, J.J.; Cuadrado, R.; Gonzalez, J.M.; Pigazo, F.; Palomares, F.J.; Medina, M.H.; Perez Alcazar, G.A.

    2007-01-01

    The FeMnAl-disordered alloy system exhibits, depending on the composition and the temperature, a rich variety of magnetic phases including the occurrence of ferromagnetism, antiferromagnetism, paramagnetism and spin-glass and reentrant spin glass behaviors. These latter phases result from the presence of atomic disorder and magnetic dilution and from the competing exchange interactions taking place between an Fe atom and its Mn and Fe first neighbors. The use of mechanical alloying in order to prepare these alloys is specially interesting since it allows to introduce in a progressive way large amounts of disorder. In this work, we describe the evolution with the milling time of the temperature dependence of the magnetic properties of mechanically alloyed Fe 0.6 Mn 0.1 Al 0.3 samples. The materials were prepared in a planetary ball mill using a balls-to-powder mass ratio of 15:1 and pure (99.95 at%) Fe, Mn and Al powders for times up to 19 h. The X-rays diffraction (XRD) spectra show the coexistence of three phases at short milling times. For milling times over 6 h, only the FeMnAl ternary alloy BCC phase is observed. Moesbauer spectroscopy reveals the complete formation of the FeMnAl alloy after 9 h milling time. The magnetic characterization showed that all the samples were ferromagnetic at room temperature with coercivities decreasing from 105 Oe (3 h milled sample) down to 5 Oe in the case of the sample milled for 19 h

  12. Local structure of Fe in Fe-doped misfit-layered calcium cobaltite: An X-ray absorption spectroscopy study

    International Nuclear Information System (INIS)

    Prasoetsopha, Natkrita; Pinitsoontorn, Supree; Bootchanont, Atipong; Kidkhunthod, Pinit; Srepusharawoot, Pornjuk; Kamwanna, Teerasak; Amornkitbamrung, Vittaya; Kurosaki, Ken; Yamanaka, Shinsuke

    2013-01-01

    Polycrystalline Ca 3 Co 4−x Fe x O 9+δ ceramics (x=0, 0.01, 0.03, 0.05) were fabricated using a simple thermal hydro-decomposition method and a spark plasma sintering technique. Thermoelectric property measurements showed that increasing Fe concentration resulted in a decrease in electrical resistivity, thermopower and thermal conductivity, leading to an improvement in the dimensionless figure-of-merit, >35% for x=0.05 at 1073 K. An X-ray absorption spectroscopy technique was used to investigate the local structure of Fe ions in the Ca 3 Co 4−x Fe x O 9+δ structure for the first time. By fitting data from the extended X-ray absorption fine structure (EXAFS) spectra and analyzing the X-ray absorption near-edge structure (XANES) spectra incorporated with first principle simulation, it was shown that Fe was substituted for Co in the the Ca 2 CoO 3 (rocksalt, RS) layer rather than in the CoO 2 layer. Variation in the thermoelectric properties as a function of Fe concentration was attributed to charge transfer between the CoO 2 and the RS layers. The origin of the preferential Fe substitution site was investigated considering the ionic radii of Co and Fe and the total energy of the system. - Graphical abstract: The Fe K-edge XANES spectra of: (a) experimental result in comparison to the simulated spectra when Fe atoms were substituted in the RS layer; (b) with magnetic moment; (c) without magnetic moment, and in the CoO 2 layer; (d) with magnetic moment and (e) without magnetic moment. Highlights: • Synthesis, structural studies, and thermoelectric properties of Ca 3 Co 4−x Fe x O 9+δ . • Direct evidence for the local structure of the Fe ions in the Ca 3 Co 4−x Fe x O 9+δ using XAS analysis. • EXAFS and XANES analysis showed that Fe was likely to be situated in the RS layer structure. • Changes in TE property with Fe content was due to charge transfer between the CoO 2 and the RS layers. • Total energy calculation showed energetically favorable Fe

  13. Dose-Exposure Proportionality of a Novel Recombinant Follicle-Stimulating Hormone (rFSH), FE 999049, Derived from a Human Cell Line, with Comparison Between Caucasian and Japanese Women After Subcutaneous Administration

    OpenAIRE

    Olsson, H?kan; Sandstr?m, Rikard; Bagger, Yu

    2015-01-01

    Background and Objectives FE 999049 is a novel recombinant follicle-stimulating hormone (rFSH) preparation expressed by a human cell line (PER.C6?), in contrast to existing rFSH preparations expressed by Chinese hamster ovary (CHO) cell lines. Since the individual dose of rFSH may be altered depending on the response in women undergoing assisted reproductive technologies, knowledge on the dose-exposure linearity and proportionality is important. The purpose of these studies was to investigate...

  14. Comparison of catalytic activities for photocatalytic and sonocatalytic degradation of organic dye in the presence of ternary Fe{sub 3}O{sub 4}/ZnO/CuO magnetic heteregenous nanocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Taufik, Ardiansyah; Saleh, Rosari, E-mail: rosari.saleh@gmail.com, E-mail: rosari.saleh@ui.ac.id [Departemen Fisika, Fakultas MIPA-Universitas Indonesia, 16424 Depok (Indonesia); Integrated Laboratory of Energy and Environment, Fakultas MIPA-Universitas Indonesia, 16424 Depok (Indonesia)

    2016-04-19

    The Fe{sub 3}O{sub 4}/ZnO/CuO nanocatalyst with various CuO loading were synthesized by sol-gel method and were characterized by powder X-ray diffraction, field emission scanning electron microscopy, energy-dispersive X-ray spectroscopy, UV-Vis spectroscopy, and vibrating sample magnetometry. The findings demonstrate that all samples exhibit ferromagnetic behavior at room temperatureand containa well-crystalline ternary oxide nanocatalyst. Methylene blue was taken as the model of organic dye to evaluate its photocatalytic and sonocatalytic degradation in the presence of Fe{sub 3}O{sub 4}/ZnO/CuO nanocatalyst. The observed degradation activity indicate that the order of degradation of methylene blue issonocatalysis> photocatalysis. Fe{sub 3}O{sub 4}/ZnO/CuO nanocatalyst with the lowest CuO loading exhibit the highest rate of degradation of methylene blue during the sono- and photocatalytic processes. The experimental data shows that holes are the predominant oxidative species involved in the sono- and photodegradation of methylene blue.

  15. Fe-based magnetic nanomaterials: Wet chemical synthesis, magnetic properties and exploration on applications

    Science.gov (United States)

    Xiaoliang, Hong

    Fe3O4, different ferrite compounds have been successfully fabricated, including Co-ferrite with high coercivity and perpendicular anisotropy, and Ni-ferrite with high resistivity and enhanced magnetization. (3) A typical Fe-3d alloy, FeCo, was studied in our work. Monodispersed FeCo nanoparticles were synthesized by a safe and ecofriendly facile chemical process. The FeCo nanoparticles have saturation magnetization up to 187 emu/g and shows excellent chemical stability. In addition, the control Fe/Co ratio could be achieved by change of precursor ratio and tuning of particle size could be realized through change of surfactant amount used. The cytotoxicity of as-synthesized nanoparticles was investigated after transferring the nanoparticle to water phase by the emulsion process and the results demonstrated high biocompatibility. The results showed that this method could also fabricate spherical Fe 3O4 particles and self-assembly Co nanoneedles. With the similar method that was applied to deposit Fe3O4, bcc-FeCo film could be fabricated through thermal decomposition with the saturation magnetization around 1300 emu/cc. (4) Fe-5d alloy, FePt, was investigated in both nanoparticle and film form. fcc-Fe76Pt24 nanoparticles were synthesized by thermal decomposition. TEM image showed the particle size was around 15 nm. From in-plane hysteresis loop, the coercivity of samples was about 150 Oe. The presence of nonzero value for the coercivity suggests that some amount of ordering should be present in fcc- Fe76Pt24 nanoparticles. In addition, fcc and L10-FePt films had been deposited on Pt substrate via a combination of chemical deposition and post-annealing process. Pt-doped Fe films were deposited on Pt substrate using thermal deposition and the as-deposited films were subsequently annealed from 300°C to 800°C, FePt films were achieved through diffusion and rearrangement of Fe and Pt atoms in post-annealing process. The transformation from disordering fcc to ordering L10

  16. Santa Fe Linac Conference

    International Nuclear Information System (INIS)

    Anon.

    1982-01-01

    The 1981 Linear Accelerator Conference, organized by Los Alamos National Laboratory, was held from 19-23 October in Santa Fe, New Mexico. The surroundings were superb and helped to ensure a successful meeting. There were more than two hundred and twenty participants, with good representation from Japan and Western Europe

  17. Santa Fe Accelerator Conference

    International Nuclear Information System (INIS)

    Anon.

    1983-01-01

    The 10th USA National Particle Accelerator Conference was hosted this year by the Los Alamos National Laboratory in Santa Fe from 21-23 March. It was a resounding success in emphasizing the ferment of activity in the accelerator field. About 900 people registered and about 500 papers were presented in invited and contributed talks and poster sessions

  18. Austenite–martensite transformation in electrodeposited Fe70Pd30 NWs: a step towards making bio-nano-actuators tested on in vivo systems

    Science.gov (United States)

    Zuzek Rozman, K.; Pecko, D.; Trafela, S.; Samardzija, Z.; Spreitzer, M.; Jaglicic, Z.; Nadrah, P.; Zorko, M.; Bele, M.; Tisler, T.; Pintar, A.; Sturm, S.; Kostevsek, N.

    2018-03-01

    Fe69±3Pd31±3 nanowires (NWs) with lengths of a few microns and diameters of 200 nm were synthesized via template-assisted pulsed electrodeposition into alumina-based templates. The as-deposited Fe69±3Pd31±3 NWs exhibited α-Fe (bcc-solid solution of Fe, Pd) nanocrystalline structure as seen from the x-ray diffraction (XRD), that got confirmed by transmission electron microscopy (TEM) with some larger grains up 50 nm observed. Annealing of the as-deposited Fe69±3Pd31±3 NWs at 1173 K/45 min was followed by quenching in ice water and resulted in a transformation to the fcc crystal structure (XRD) with grain sizes up to 200 nm (TEM). To induce the austenite-to-martensite, i.e., fcc-to-fct phase transformation the fcc Fe69±3Pd31±3 NWs were cooled to 73 K. The XRD showed the disappearance of the (200) fcc reflection (at room temperature) and the appearance of the (200) fct reflection (at 73 K), confirming the fcc-to-fct transformation took place. The magnetic measurements revealed that the fcc Fe69±3Pd31±3 NWs measured at low temperatures (50 K) had a larger coercivity than at room temperature, which suggests the fct phase was present in the undercooled state, exhibiting a larger magnetocrystalline anisotropy than the fcc phase present at room temperature. As part of our interest in magnetic-shape-memory actuators, the as-deposited Fe69±3Pd31±3 NWs were tested for toxicity on zebrafish. In vivo tests showed no acute lethal or sub-lethal effects, which implies that the Fe69±3Pd31±3 NWs have the potential to be used as nano-actuators in biomedical applications.

  19. Size dependent structural, vibrational and magnetic properties of BiFeO3 and core-shell structured BiFeO3@SiO2 nanoparticles

    International Nuclear Information System (INIS)

    Chauhan, Sunil; Kumar, Manoj; Chhoker, Sandeep; Katyal, S. C.

    2014-01-01

    Bulk BiFeO 3 , BiFeO 3 nanoparticles and core-shell structured BiFeO 3 @SiO 2 nanoparticles were synthesized by solid state reaction method, sol-gel and Stöber process (SiO 2 shell) respectively. Transmission electron microscopy image confirmed the core-shell structure of BiFeO 3 @SiO 2 nanoparticles with BiFeO3 core ∼50-90 nm and SiO 2 shell ∼16 nm. X-ray diffraction and FTIR spectroscopy results showed the presence of distorted rhombohedral structure with R3c space group in all three samples. The magnetic measurement indicated the existence of room-temperature weak ferromagnetism in core-shell BiFeO 3 @SiO 2 nanoparticles and BiFeO3 nanoparticles, whereas bulk BiFeO 3 showed antiferromagnteic nature. Electron Spin Resonance results confirmed the enhancement in magnetic properties of coreshell structured BiFeO 3 @SiO 2 nanoparticles in comparison with BiFeO 3 nanoparticles and bulk BiFeO 3

  20. Rapid preparation of α-FeOOH and α-Fe2O3 nanostructures by microwave heating and their application in electrochemical sensors

    International Nuclear Information System (INIS)

    Marinho, J.Z.; Montes, R.H.O.; Moura, A.P. de; Longo, E.; Varela, J.A.; Munoz, R.A.A.; Lima, R.C.

    2014-01-01

    Graphical abstract: - Highlights: • Simple microwave method leads to the rapid formation of the goethite and hematite. • Homogenous nucleation and growth of particles are controlled by synthesis time. • Modified electrode with α-FeOOH nanoplates improved the electrochemical response. • The sample is directly heated by microwaves and its crystallization is accelerated. • Fe 3+ nanostructures are promising for development of electrochemical sensors. - Abstract: α-FeOOH (goethite) and α-Fe 2 O 3 (hematite) nanostructures have been successfully synthesized using the microwave-assisted hydrothermal (MAH) method and by the rapid burning in a microwave oven of the as-prepared goethite, respectively. The orthorhombic α-FeOOH to rhombohedralα-Fe 2 O 3 structural transformation was observed by X-ray diffraction (XRD) and Raman spectroscopy results. Plates-like α-FeOOH prepared in 2 min and rounded and quasi-octahedral shaped α-Fe 2 O 3 particles obtained in 10 min were observed using field emission gun scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM). The use of microwave heating allowed iron oxides to be prepared with shorter reaction times when compared to other synthesis methods. α-FeOOH nanoplates were incorporated into graphite-composite electrodes, which presented electrocatalytic properties towards the electrochemical oxidation of ascorbic acid in comparison with unmodified electrodes. This result demonstrates that such α-FeOOH nanostructures are very promising chemical modifiers for the development of improved electrochemical sensors

  1. Comparison of two fabricated aptasensors based on modified carbon paste/oleic acid and magnetic bar carbon paste/Fe3O4@oleic acid nanoparticle electrodes for tetracycline detection.

    Science.gov (United States)

    Jahanbani, Shahriar; Benvidi, Ali

    2016-11-15

    In this research, we have improved two aptasensors based on a modified carbon paste electrode (CPE) with oleic acid (OA), and a magnetic bar carbon paste electrode (MBCPE) with Fe3O4 magnetic nanoparticles and oleic acid (OA). After the immobilization process of anti-TET at the electrode surfaces, the aptasensors were named CPE/OA/anti-TET and MBCPE/Fe3O4NPs/OA/anti-TET respectively. In this paper, the detection of tetracycline is compared using CPE/OA/anti-TET and MBCPE/Fe3O4NPs/OA/anti-TET aptasensors. These modified electrodes were characterized by infrared spectroscopy (IR), scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS), UV-vis spectroscopy, and voltammetric methods. The linear range and the detection limit for TET with the CPE/OA/anti-TET aptasensor were found to be 1.0×10(-12)-1.0×10(-7)M and 3.0×10(-13)M respectively by EIS method. The linear range and the detection limit for TET with the CPE/OA/anti-TET aptasensor were found to be 1.0×10(-10)-1.0×10(-7)M with a limit of detection of 2.9×10(-11)M using differential pulse voltammetry (DPV) technique. The MBCPE/Fe3O4NPs/OA/anti-TET aptasensor was used for determination of TET, and a liner range of 1.0×10(-14)-1.0×10(-6)M with a detection limit of 3.8×10(-15)M was obtained by EIS method. Also, the linear range and detection limit of 1.0×10(-12)-1.0×10(-6)M and 3.1×10(-13)M respectively, were obtained for MBCPE/Fe3O4NPs/OA/anti-TET aptasensor using DPV. The proposed aptasensors were applied for determination of tetracycline in some real samples such as drug, milk, honey and blood serum samples. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Thermodynamical properties of 56Fe

    International Nuclear Information System (INIS)

    Tavukcu, E.; Becker, J. A.; Bernstein, L. A.; Garrett, P. E.; Younes, W.; Guttormsen, M.; Rekstad, J.; Siem, S.; Mitchell, G. E.; Schiller, A.; Voinov, A.

    2003-01-01

    Average nuclear level densities close to the nuclear binding energy in 56Fe and 57Fe are extracted from primary γ-ray spectra. A step structure is observed in the level density for both isotopes, and is interpreted as breaking of Cooper pairs. Thermal properties of 56Fe are studied within the statistical canonical ensemble. The experimental heat capacity in 56Fe is compared with the theoretical heat capacity calculated within the shell model Monte Carlo approach

  3. On the angular dependence of the coercivity of NdFeB hard magnets

    International Nuclear Information System (INIS)

    Jahn, L.; Christoph, V.; Pastuschenko, J.S.

    1989-01-01

    In order to test the model assumptions on hard magnetic properties of sintered NdFeB magnets, a comparison of the measured and calculated values of the magnetization and remanence coercivities H C and H R , respectively, as a function of the angle between texture axis and external field θ in Nd 16 Fe 76 B 8 and (Nd 0.9 Tb 0.1 ) 16 Fe 76 B 8 is given and explained qualitatively

  4. Diffusion of Nb in Fe and in some Fe alloys

    International Nuclear Information System (INIS)

    Kurokawa, S.; Ruzzante, J.E.; Hey, A.M.; Dyment, F.

    1981-01-01

    Diffusion data of microalloying elements such as Nb, V, Ti, are required when analysing the transformation and recrystallization behaviour of HSLA steels in order to optimize grain refinement and precipitation hardening. The diffusion behaviour of Nb in pure Fe, Fe 1.5 Mn, Fe 0.6 Si and Fe 1.5 Mn 0.6 Si has been measured between 1080 and 1200 0 C. Results indicate that Si increases Nb diffusivity while Mn decreases it. The sequence of diffusion coeficients values is: D sup(Nb) sub(Fe 1.5 Mn) [pt

  5. Thermodynamical Properties of 56Fe

    International Nuclear Information System (INIS)

    Tavukcu, E.; Becker, J.A.; Bernstein, L.A.; Garrett, P.E.; Guttormsen, M.; Mitchell, G.E.; Rekstad, J.; Schiller, A.; Siem, S.; Voinov, A.; Younes, W.

    2002-01-01

    Average nuclear level densities close to the nuclear binding energy in 56 Fe and 57 Fe are extracted from primary γ-ray spectra. Thermal properties of 56 Fe are studied within the statistical canonical ensemble. The experimental heat capacity is compared with the theoretical heat capacity calculated within the shell model Monte Carlo approach

  6. Preparation of FeS2 nanotube arrays based on layer-by-layer assembly and their photoelectrochemical properties

    International Nuclear Information System (INIS)

    Wang, Mudan; Xue, Dongpeng; Qin, Haiying; Zhang, Lei; Ling, Guoping; Liu, Jiabin; Fang, Youtong; Meng, Liang

    2016-01-01

    Graphical abstract: - Highlights: • Amorphous Fe 2 O 3 nanotube arrays are prepared via layer-by-layer assembly. • Pyrite FeS 2 nanotube arrays are obtained by sulfurizing Fe 2 O 3 nanotube arrays. • Various electrochemical properties are characterized. • A comparison between FeS 2 nanotube and nanoparticle films is conducted. • Nanotube arrays show enhanced corrosion resistance and photoresponse. - Abstract: Well-aligned one-dimensional iron pyrite FeS 2 nanotube arrays have been fabricated via layer-by-layer assembly technique on ZnO nanorod arrays in combination with subsequent sulfurization. The as-prepared products were confirmed to be pure phase pyrite FeS 2 with Fe/S ratio approaching 1/2. Typical nanotube structure was observed for the FeS 2 with average outer diameter of 150 ± 20 nm and wall thickness of 50 ± 5 nm. Comparisons of photoelectrochemical properties between FeS 2 nanotubes and FeS 2 nanoparticles were conducted. Tafel polarization curves and electrochemical impedance spectroscopy indicate that FeS 2 nanotubes possess high corrosion resistance and electrochemical stability. The J–V curves show that the photocurrent at 1.0 V for FeS 2 nanotubes is more than five times larger than that of FeS 2 nanoparticles, indicating enhanced photoresponse and rapid charge transfer performances of 1-D nanotube structure. The enhanced photoelectrochemical properties mainly benefit from the unique architecture features of nanotube array structure.

  7. On the advantages of spring magnets compared to pure FePt: Strategy for rare-earth free permanent magnets following a bottom-up approach

    Energy Technology Data Exchange (ETDEWEB)

    Pousthomis, M.; Garnero, C. [Université de Toulouse, UMR 5215 INSA, CNRS, UPS, Laboratoire de Physique et Chimie des Nano-Objets, 135 avenue de Rangueil, F-31077 Toulouse Cedex 4 (France); Marcelot, C.G. [Université de Toulouse, UMR 5215 INSA, CNRS, UPS, Laboratoire de Physique et Chimie des Nano-Objets, 135 avenue de Rangueil, F-31077 Toulouse Cedex 4 (France); Centre d’Elaboration de Matériaux et d’Etudes Structurales, CEMES-CNRS, 29 rue Jeanne Marvig, B.P. 94347, 31055 Toulouse (France); Blon, T.; Cayez, S. [Université de Toulouse, UMR 5215 INSA, CNRS, UPS, Laboratoire de Physique et Chimie des Nano-Objets, 135 avenue de Rangueil, F-31077 Toulouse Cedex 4 (France); Cassignol, C.; Du, V.A.; Krispin, M. [Siemens AG, Corporate Technology, Munich (Germany); Arenal, R. [Transpyrenean Advanced Laboratory for Electron Microscopy (TALEM), INSA - INA, CNRS - Universidad de Zaragoza, 30155 Toulouse (France); Laboratorio de Microscopias Avanzadas (LMA), Instituto de Nanociencia de Aragon (INA), U. Zaragoza, C/Mariano Esquillor s/n, 50018 Zaragoza (Spain); Fundacion ARAID, 50018 Zaragoza (Spain); Soulantica, K.; Viau, G. [Université de Toulouse, UMR 5215 INSA, CNRS, UPS, Laboratoire de Physique et Chimie des Nano-Objets, 135 avenue de Rangueil, F-31077 Toulouse Cedex 4 (France); Lacroix, L.-M., E-mail: lmlacroi@insa-toulouse.fr [Université de Toulouse, UMR 5215 INSA, CNRS, UPS, Laboratoire de Physique et Chimie des Nano-Objets, 135 avenue de Rangueil, F-31077 Toulouse Cedex 4 (France); Transpyrenean Advanced Laboratory for Electron Microscopy (TALEM), INSA - INA, CNRS - Universidad de Zaragoza, 30155 Toulouse (France)

    2017-02-15

    Nanostructured magnets benefiting from efficient exchange-coupling between hard and soft grains represent an appealing approach for integrated miniaturized magnetic power sources. Using a bottom-up approach, nanostructured materials were prepared from binary assemblies of bcc FeCo and fcc FePt nanoparticles and compared with pure L1{sub 0}-FePt materials. The use of a bifunctional mercapto benzoic acid yields homogeneous assemblies of the two types of particles while reducing the organic matter amount. The 650 °C thermal annealing, mandatory to allow the L1{sub 0}-FePt phase transition, led to an important interdiffusion and thus decreased drastically the amount of soft phase present in the final composites. The analysis of recoil curves however evidenced the presence of an efficient interphase exchange coupling, which allows obtaining better magnetic performances than pure L1{sub 0} FePt materials, energy product above 100 kJ m{sup −3} being estimated for a Pt content of only 33%. These results clearly evidenced the interest of chemically grown nanoparticles for the preparation of performant spring-magnets, opening promising perspective for integrated subcentimetric magnets with optimized properties.

  8. Iron 1s X-ray photoemission of Fe2O3

    NARCIS (Netherlands)

    Miedema, P. S.; Borgatti, F.; Offi, F.; Panaccione, G.; de Groot, F. M. F.

    We present the Is X-ray photoemission spectrum of alpha-Fe2O3 in comparison with its 2p photoemission spectrum. We show that in case of transition metal oxides, because the 1s core hole is not affected by core hole spin-orbit coupling and almost not affected by core-valence multiplet effects, the Fe

  9. MFM study of NdFeB and NdFeB/Fe/NdFeB thin films

    International Nuclear Information System (INIS)

    Gouteff, P.C.; Folks, L.; Street, R.

    1998-01-01

    Domain structures of NdFeB thin films, ranging in thickness between 1500 and 29 nm, have been studied qualitatively by magnetic force microscopy (MFM). Samples were prepared using a range of sputtering conditions resulting in differences in properties such as texture, coercivity and magnetic saturation. MFM images of all the films showed extensive interaction domain structures, similar to those observed in nanocrystalline bulk NdFeB. An exchange-coupled NdFeB/Fe/NdFeB trilayer with layer thicknesses 18 nm/15 nm/18 nm, respectively, was also examined using MFM. (orig.)

  10. First principles analysis of lattice dynamics for Fe-based superconductors and entropically-stabilized phases

    Energy Technology Data Exchange (ETDEWEB)

    Hahn, Steven [Iowa State Univ., Ames, IA (United States)

    2012-01-01

    Modern calculations are becoming an essential, complementary tool to inelastic x-ray scattering studies, where x-rays are scattered inelastically to resolve meV phonons. Calculations of the inelastic structure factor for any value of Q assist in both planning the experiment and analyzing the results. Moreover, differences between the measured data and theoretical calculations help identify important new physics driving the properties of novel correlated systems. We have used such calculations to better and more e ciently measure the phonon dispersion and elastic constants of several iron pnictide superconductors. This dissertation describes calculations and measurements at room temperature in the tetragonal phase of CaFe{sub 2}As{sub 2} and LaFeAsO. In both cases, spin-polarized calculations imposing the antiferromagnetic order present in the low-temperature orthorhombic phase dramatically improves the agreement between theory and experiment. This is discussed in terms of the strong antiferromagnetic correlations that are known to persist in the tetragonal phase. In addition, we discuss a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD), which goes beyond the harmonic approximation to include phonon-phonon interactions and produce a temperature-dependent phonon dispersion. We used this technique to study the HCP to BCC transition in beryllium.

  11. Magnetic nanostructures in FeNbB studied by small-angle neutron scattering

    International Nuclear Information System (INIS)

    Marcin, J.; Skorvanek, I.

    1999-01-01

    Complete text of publication follows. The evolution of nuclear and magnetic microstructure during crystallization of amorphous FeNbB alloys has been investigated by a small-angle neutron scattering in external magnetic field. Thermal annealing of the homogeneous as-quenched state of the melt-spun ribbons between 450 deg C and 650 deg C gives rise to a size distribution of bcc-Fe nanocrystals embedded in an amorphous remaining matrix. From nuclear and magnetic scattering at room temperature the size distributions of nanocrystals were determined as function of annealing temperature. An increase in the diameter of nanocrystalline particles was observed with increasing of annealing temperature. The magnetic and nuclear scattering contributions have been measured as function of external magnetic field and temperature. This allowed us to determine the Curie temperature value that corresponds to the residual amorphous matrix. The increase of T C (am) was observed with an increase of the annealing temperature. The observed behaviour is discussed in terms of model which take into account the magnetic interaction between constituent phases in investigated material. (author)

  12. Phase selection during pulsed laser annealing of Fe-V alloys

    International Nuclear Information System (INIS)

    Perepezko, J.H.; Follstaedt, D.M.; Peercy, P.S.

    1987-01-01

    Pulsed laser melting of the low-temperature σ (tetragonal, D8/sub b/) phase has been used to generate a liquid undercooled with respect to the melting point of the higher-temperature, equilibrium α (bcc) solid solution in equiatomic Fe-V alloys. From calculations based on reported thermodynamic data and equilibrium transformation temperatures, the metastable melting point of the σ phase is about 1720 K for an Fe-50 at.% V alloy, which is 54 K below the melting temperature of the α phase. During rapid heating of well-annealed σ-phase material with a 30 ns laser pulse to above melt threshold, the σ → α reaction is suppressed, so that the melt zone is undercooled by -- 54 K with respect to the equilibrium α phase. The α phase nucleates from the undercooled molten surface layer and is retained during the subsequent rapid cooling (-- 10/sup 10/ K/s) because of the relatively sluggish α → σ transformation. X-ray diffraction (Read camera) and TEM identified the σ phase in the near-surface after melting σ with incident laser energies (1.0-1.41 J/cm/sup 2/) which are well above the melt threshold as determined by changes in reflectivity (-- 0.7 J/cm/sup 2/). The α phase nucleated from the undercooled liquid within -- 20 ns

  13. Development of magnetic moments in Fe{sub 1-x}Ni{sub x} - alloys

    Energy Technology Data Exchange (ETDEWEB)

    Glaubitz, Benjamin; Buschhorn, Stefan; Bruessing, Frank; Zabel, Hartmut [Festkoerperphysik, Ruhr-Universitaet Bochum, 44780 Bochum (Germany)

    2011-07-01

    Fe{sub 1-x}Ni{sub x} alloys have been studied intensively in the past because of their unique properties, such as the soft magnetic properties at x=0.8 and the martensitic bcc-fcc transition at x=0.35. The total magnetic moment as a function of alloy concentration follows by and large the Slater Pauling curve, but not in the region of the martensitic transition, where a strong drop is observed, which has been taken as a sign for strong magneto-volume fluctuations, also known as the invar effect. Using XMCD methods, we have analyzed the individual magnetic moments of Fe and Ni across the alloy concentration range, including their spin and orbital contributions, and we have compared those with the average moments determined by VSM measurements. We find a very good agreement between both methods, with the individual moments showing some fluctuations at the invar concentration but no anomaly. We will discuss the results in the light of recent theoretical predictions.

  14. Shape of growing crystals of primary phases in autectic alloys of Fe - Fe2B and Ni - Ni3B systems

    International Nuclear Information System (INIS)

    Tavadze, F.N.; Garibashvili, V.I.; Nakaidze, Sh.G.

    1983-01-01

    Shapes of Fe 2 B and Ni 3 B crystal growth in eutectic Fe-B and Ni-B system alloys are considered. Iron hemiboride primary crystals take the form of a plane-face phase boundary and inherit a tetragonal prismatic lattice. After the crystal attains the critical size the dendritic branching occurs resulting in formation of a typical sceleton dendrite. Comparison of data obtained with entropy of melting for Fe 2 B and Ni 3 B borides shows that FeB crystals during the growth should take the spherical form. It is stated that the shape of growing crystals in Fe-Fe 2 B and Ni-Ni 2 B eutectic colonies is determined by the shape of borides

  15. Solar light-driven photocatalysis using mixed-phase bismuth ferrite (BiFeO3/Bi25FeO40) nanoparticles for remediation of dye-contaminated water: kinetics and comparison with artificial UV and visible light-mediated photocatalysis.

    Science.gov (United States)

    Kalikeri, Shankramma; Shetty Kodialbail, Vidya

    2018-03-06

    Mixed-phase bismuth ferrite (BFO) nanoparticles were prepared by co-precipitation method using potassium hydroxide as the precipitant. X-ray diffractogram (XRD) of the particles showed the formation of mixed-phase BFO nanoparticles containing BiFeO 3 /Bi 25 FeO 40 phases with the crystallite size of 70 nm. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed the formation of quasi-spherical particles. The BFO nanoparticles were uniform sized with narrow size range and with the average hydrodynamic diameter of 76 nm. The band gap energy of 2.2 eV showed its ability to absorb light even in the visible range. Water contaminated with Acid Yellow (AY-17) and Reactive Blue (RB-19) dye was treated by photocatalysis under UV, visible, and solar light irradiation using the BFO nanoparticles. The BFO nanoparticles showed maximum photocatalytical activity under solar light as compared to UV and visible irradiations, and photocatalysis was favored under acidic pH. Complete degradation of AY-17 dyes and around 95% degradation of RB-19 could be achieved under solar light at pH 5. The kinetics of degradation followed the Langmuir-Hinshelhood kinetic model showing that the heterogeneous photocatalysis is adsorption controlled. The findings of this work prove the synthesized BFO nanoparticles as promising photocatalysts for the treatment of dye-contaminated industrial wastewater.

  16. Blue light versus red light for photodynamic therapy of basal cell carcinoma in patients with Gorlin syndrome: A bilaterally controlled comparison study.

    Science.gov (United States)

    Maytin, Edward V; Kaw, Urvashi; Ilyas, Muneeb; Mack, Judith A; Hu, Bo

    2018-02-19

    Photodynamic therapy (PDT) is a non-scarring alternative for treating basal cell carcinoma (BCC) in patients with Basal Cell Nevus Syndrome (BCNS), also known as Gorlin syndrome. In Europe, red light (635 nm) is the predominant source for PDT, whereas in the United States blue light (400 nm) is more widely available. The objective of this study was to conduct a head-to-head comparison of blue light and red light PDT in the same BCNS patients. In a pilot study of three patients with 141 BCC lesions, 5-aminolevulinate (20% solution) was applied to all tumors. After 4 hours, half of the tumors were illuminated with blue light and the remainder with red light. To ensure safety while treating this many tumors simultaneously, light doses were escalated gradually. Six treatments were administered in three biweekly sessions over 4 months, with a final evaluation at 6 months. Tumor status was documented with high-resolution photographs. Persistent lesions were biopsied at 6 months. Clearance rates after blue light (98%) were slightly better than after red light (93%), with blue light shown to be statistically non-inferior to red light. Eight suspicious lesions were biopsied, 5 after red light (5/5 were BCC) and 3 after blue light (1 was BCC). Blue light PDT was reportedly less painful. Blue light and red light PDT appear to be equally safe and perhaps equally effective for treating BCC tumors in BCNS patients. Further studies to evaluate long-term clearance after blue light PDT are needed. Copyright © 2018 Elsevier B.V. All rights reserved.

  17. Determination of the Fe-Cr-Ni and Fe-Cr-Mo Phase Diagrams at Intermediate Temperatures using a Novel Dual-Anneal Diffusion-Multiple Approach

    Science.gov (United States)

    Cao, Siwei

    describe the phase equilibria of this system. For the Fe-Cr-Mo system, the current study clearly defined the 1200 °C isothermal section with results in general agreement with the majority of prior experimental results, but deviating significantly from results computed using the TCFE5 thermodynamic database; indicating that significant improvement of the thermodynamic assessment for this system is required. Large amounts of phase equilibrium data were obtained from DADMs at 900 °C, 800 °C, and 700 °C for the Fe-rich (> 50 at.% Fe) corner of the Fe-Cr-Mo system, but results of Cr and Mo rich compositions at these temperatures may be questionable due to the slow diffusion kinetics in those high-melting regions. The results from the 600 °C -- 4500 hr annealed DADM was not reported due to the complexity and immature nature of the analysis at the time of this dissertation defense. In addition to the phase equilibrium information for both ternary systems, an amazing diversity of precipitation microstructures was observed in DADMs, showing rich information on phase transformations. For instance, the bcc to sigma massive transformation region for the Fe-Cr-Ni ternary system can be well defined from DADMs.

  18. Structural characterization of a new vacancy ordered perovskite modification found for Ba3Fe3O7F (BaFeO2.333F0.333): Towards understanding of vacancy ordering for different perovskite-type ferrites

    International Nuclear Information System (INIS)

    Clemens, Oliver

    2015-01-01

    The new vacancy ordered perovskite-type compound Ba 3 Fe 3 O 7 F (BaFeO 2.33 F 0.33 ) was prepared by topochemical low-temperature fluorination of Ba 2 Fe 2 O 5 (BaFeO 2.5 ) using stoichiometric amounts of polyvinylidene difluoride (PVDF). The vacancy order was found to be unique so far for perovskite compounds, and the connectivity pattern can be explained by the formula Ba 3 (FeX 6/2 ) (FeX 5/2 ) (FeX 3/2 X 1/1 ), with X=O/F. Mössbauer measurements were used to confirm the structural analysis and agree with the presence of Fe 3+ in the above mentioned coordination environments. Group–subgroup relationships were used to build a starting model for the structure solution and to understand the relationship to the cubic perovskite structure. Furthermore, a comparison of a variety of vacancy-ordered iron-containing perovskite-type structures is given, highlighting the factors which favour one structure type over the other depending on the composition. - Graphical abstract: The crystal structure of Ba 3 Fe 3 O 7 F in comparison to other perovskite type ferrites. - Highlights: • The crystal structure of Ba 3 Fe 3 O 7 F in comparison to other perovskite type ferrites. • Ba 3 Fe 3 O 7 F was synthesized by low temperature fluorination of Ba 2 Fe 2 O 5 . • Ba 3 Fe 3 O 7 F shows a unique vacancy order not found for other perovskite type compounds. • The structure of Ba 3 Fe 3 O 7 F was solved using group–subgroup relationships. • A systematic comparison to other ferrite type compounds reveals structural similarities and differences. • The A-site coordination of the cation is shown to play an important role for the type of vacancy order found

  19. Effect of Si/Fe ratio on the boron and phosphorus doping efficiency of β-FeSi2 by magnetron sputtering

    International Nuclear Information System (INIS)

    Xu Jiaxiong; Yao Ruohe

    2011-01-01

    Boron-doped or phosphorus-doped β-FeSi 2 thin films have been prepared on silicon substrate by magnetron sputtering. Effects of Si/Fe ratio on the boron and phosphorus doping efficiencies have been studied from the resistivities of doped β-FeSi 2 thin films and current-voltage characteristics of doped β-FeSi 2 /Si heterojunctions. The experimental results reveal that the carrier concentration and doping efficiency of boron or phosphorus dopants at the Fe-rich side are higher than that at the Si-rich side. The effect of Si/Fe ratio can be deduced from the comparison of the formation energies under two extreme conditions. At the Fe-rich limit condition, the formation energy of boron or phosphorous doping is lower than that at the Si-rich condition. Therefore, the activation of impurities is more effective at the Fe-rich side. These results demonstrate that the boron-doped and phosphorous-doped β-FeSi 2 thin films should be kept at the Fe-rich side to avoid the unexpected doping sites and low doping efficiency.

  20. Study of the oxidation of Fe-Cr alloys at high temperatures; Estudo da oxidacao de ligas Fe-Cr a altas temperaturas

    Energy Technology Data Exchange (ETDEWEB)

    Carneiro, J.F.; Sabioni, A.C.S. [Universidade Federal de Ouro Preto (LDM/DF/UFOP), MG (Brazil). Dept. de Fisica. Lab. de Difusao em Materiais; Trindade, V.B. [Universidade Federal de Ouro Preto (DEMM/UFOP), MG (Brazil). Dept. de Engenharia Metalurgica e de Materiais; Ji, V. [Laboratoire d' Etude des Materiaux Hors-Equilibre (LEMHE), Orsay (France)

    2010-07-01

    The high temperature oxidation behavior of Fe-1.5%Cr, Fe-5.0%Cr, Fe-10%Cr and Fe- 15%Cr model alloys were investigated from 700 to 850 deg C, in air atmosphere. The oxidation treatments were performed in a thermobalance with a sensitivity of 1{mu}g. The oxide films grown by oxidation of the alloys were characterized by scanning electronic microscopy (SEM), energy dispersive X-ray spectroscopy (EDS) and X-ray diffraction (XRD). The oxide films are Fe-Cr spinels with variable composition depending on the alloy composition. For all conditions studied, the oxidation kinetics of these alloys follow a parabolic law. The comparison of the oxidation rates of the four alloys, at 700 deg C, shows that the parabolic oxidation constants decrease from 1.96x10{sup -9}g{sup 2}.cm{sup -4}.s{sup -1}, for the alloy Fe-1.5% Cr, to 1.18 x 10-14g{sup 2}.cm{sup -4}.s{sup -1} for the alloy Fe-15% Cr. Comparative analysis of the oxidation behavior of the Fe-10%Cr and Fe-15%Cr alloys, between 700 and 850 deg C, shows that the oxidation rates of these alloys are comparable to 800 deg C, above this temperature the Fe-10%Cr alloy shows lower resistance to oxidation. (author)

  1. Microstructure, thermodynamics and compressive properties of AlCoCrCuMn-x (x=Fe, Ti) high-entropy alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhaoqin, E-mail: wzqpapers@126.com [School of Railway Technology, Lanzhou Jiaotong University, Lanzhou 730010 (China); Wang, Xiaorong [School of Mechatronic Engineering, Lanzhou Jiaotong University, Lanzhou 730010 (China); Yue, Hui [School of Railway Technology, Lanzhou Jiaotong University, Lanzhou 730010 (China); Shi, Guangtian; Wang, Shunhua [School of Mechatronic Engineering, Lanzhou Jiaotong University, Lanzhou 730010 (China)

    2015-03-11

    Two equiatomic high-entropy alloys (HEAs), AlCoCrCuMnFe and AlCoCrCuMnTi, were produced by vacuum arc melting. Their microstructure, thermodynamics and mechanical properties were investigated in as-cast condition. The AlCoCrCuMnFe alloy is comprised of a face centered cubic (FCC) phase and two body centered cubic (BCC) phases, while the AlCoCrCuMnTi alloy consists of the intermetallics-base solid solution (AlCu{sub 2}Mn-like phase) besides a FCC phase and two BCC phases. Through analyzing the thermodynamics of equiatomic multicomponent alloys, two parameters, k{sub n} and φ, were proposed. The parameter k{sub n} is a function of n (n – the number of the components in an alloy system), while φ is defined as a parameter of T{sub sum} over |H{sub sum}| (T{sub sum} – the sum of every elemental melting point in an alloy system, |H{sub sum}| – the sum of mixing enthalpies of different pairs of alloying elements). φ≥1.1/k{sub n} is equivalent to Ω≥1.1 proposed by Yang to predict high entropy stabilized solid solution in equiatomic multicomponent alloys and more convenient to calculate. Compressive properties of the two HEAs together with their hardness have been investigated. Comparing to AlCoCrCuMnFe alloy, AlCoCrCuMnTi alloy has higher Vickers hardness, yield strength and compressive strength, but lower ultimate strain.

  2. Morphologic, magnetic, and Moessbauer spectral properties of Fe75Co25 nanoparticles prepared by ultrasound-assisted electrochemistry

    International Nuclear Information System (INIS)

    Mancier, Valerie; Delplancke, J.-L.; Delwiche, Jacques; Hubin-Franskin, M.-J.; Piquer, Cristina; Rebbouh, Leila; Grandjean, Fernande

    2004-01-01

    Nanopowders of Fe 75 Co 25 alloys have been prepared by ultrasound-assisted electrochemistry. Their composition, crystallographic structure, morphology, have been studied by X-ray diffraction, transmission electron microscopy, X-ray fluorescence, and high-energy electron diffraction. The nanopowders are found to present a composition well determined by the electrolyte bath composition, they show a bcc structure. The iron and cobalt atoms exhibit a very homogeneous distribution in the particles. The magnetic properties of the nanopowders have been measured between 5 and 295 K with a vibrating sample magnetometer and their Moessbauer spectra have been obtained at 295 K. The saturation magnetization is characteristic of FeCo alloys. The magnetic behavior and transmission electron microscopy observations of the particles indicate strongly interacting particles with a radius of ca. 2-4 nm, particles which may form agglomerates of larger size. The measured average hyperfine field is situated at the maximum of the Slater-Pauling curve for the FeCo alloys

  3. Bottom and top AF/FM interfaces of NiFe/FeMn/NiFe trilayers

    Energy Technology Data Exchange (ETDEWEB)

    Nascimento, V.P. [Universidade Federal Rural do Rio de Janeiro, Instituto Multidisciplinar, Rua Professor Paris, s/n Centro, 26221-150 Nova Iguacu, RJ (Brazil)], E-mail: valberto@cbpf.br; Passamani, E.C. [Universidade Federal do Espirito Santo, Depto. Fisica, Avenida Fernando Ferrari, 514 Goiabeiras, 29075-910 Vitoria, ES (Brazil); Alvarenga, A.D. [Instituto Nacional de Metrologia, Normalizacao e Qualidade Industrial, Avenida Nossa Senhora das Gracas, 50 Duque de Caxias, 25250-020 Rio de Janeiro, RJ (Brazil); Biondo, A. [Universidade Federal do Espirito Santo, Depto. Fisica, Avenida Fernando Ferrari, 514 Goiabeiras, 29075-910 Vitoria, ES (Brazil); Pelegrini, F. [Universidade Federal de Goias, Instituto de Fisica, Campus Samambaia, 74001-970 Goiania, GO (Brazil); Saitovitch, E. Baggio [Centro Brasileiro de Pesquisas Fisicas, Rua Dr. Xavier Sigaud, 150 Urca, 22290-180 Rio de Janeiro, RJ (Brazil)

    2008-01-30

    X-ray reflectivity analyses were performed in the Si/WTi (7 nm)/NiFe (30 nm)/FeMn (13 nm)/NiFe (10 nm)/WTi (7 nm) exchange-biased system prepared by magnetron sputtering under three different argon working pressures. Layer-by-layer analyses were realized in order to obtain the interfacial roughness parameters quantitatively. For a fixed argon pressure, the root-mean-square roughness (including the atomic grading) of the upper (FeMn/NiFe) interface are greater than that for the lower one in all studied samples. Argon working pressure also has severe influence over the NiFe/FeMn interfaces, being more pronounced at the upper interfaces.

  4. Effect of nickel monolayer deposition on the structural and electronic properties of the low miller indices of (bcc) iron: A DFT study

    International Nuclear Information System (INIS)

    Kwawu, Caroline R.; Tia, Richard; Adei, Evans; Dzade, Nelson Y.; Catlow, C. Richard A.; Leeuw, Nora H. de

    2017-01-01

    Highlights: • Thermodynamically, mono-layer deposition is exothermic on Fe (111) and (100) but endothermic on the Fe (110) facet. • The preferred adsorption site is the hollow site on all surface coverages except the 1 ML covered (110) surface, where the top site is most preferred. • Deposition leads to surface relaxation and no reconstruction, most profound on the stepped (111) surface, with the highest Ni-Fe interactions. • Work function of the bare (100), (110) and (111) surfaces were found to be 3.80 eV, 4.76 eV and 3.84 eV respectively. • Nickel monolayer deposition increases the work function on the (100) and (111) surfaces implying reduced corrosion tendencies. - Abstract: Metal clusters of both iron (Fe) and nickel (Ni) have been found in nature as active electro-catalytic sites, for example in the enzyme carbon mono-oxide dehydrogenase found in autotrophic organisms. Thus, surface modification of iron with nickel could improve the surface work function to enhance catalytic applications. The effects of surface modifications of iron by nickel on the structural and electronic properties have been studied using spin-polarised density functional theory calculations within the generalised gradient approximation. The thermodynamically preferred sites for Ni adsorption on the Fe (100), (110) and (111) surfaces have been studied at varying monolayer coverages (including 0.25 ML and 1 ML). The work function of the bare Fe surfaces is found to be of the order (100) ∼ (111) < (110) i.e. 3.80 eV ∼ 3.84 eV < 4.76 eV, which is consistent with earlier studies. The adsorption energies show that monolayer Ni deposition is thermodynamically favoured on the (100) and (111) surfaces, but not on the (110) surface. Expansion of the first interlayer spacing (d 12 ) of all three Fe surfaces is observed upon Ni deposition with the extent of expansion decreasing in the order (111) > (110) > (100), i.e. 6.78% > 5.76% > 1.99%. The extent of relaxation is magnified on the

  5. Effect of nickel monolayer deposition on the structural and electronic properties of the low miller indices of (bcc) iron: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Kwawu, Caroline R., E-mail: kwawucaroline@gmail.com [Department of Chemistry, Kwame Nkrumah University of Science and Technology, Kumasi (Ghana); Tia, Richard, E-mail: richtiagh@yahoo.com [Department of Chemistry, Kwame Nkrumah University of Science and Technology, Kumasi (Ghana); Adei, Evans [Department of Chemistry, Kwame Nkrumah University of Science and Technology, Kumasi (Ghana); Dzade, Nelson Y., E-mail: N.Y.Dzade@uu.nl [Department of Earth Sciences, Utrecht University, Princetonplein 9, 3584 CC, Utrecht (Netherlands); Catlow, C. Richard A. [Department of Chemistry, University College London, 20 Gordon Street, WC1H 0AJ, London (United Kingdom); School of Chemistry, Cardiff University, Main Building, Park PI, Cardiff CF10 3AT (United Kingdom); Leeuw, Nora H. de, E-mail: DeLeeuwN@cardiff.ac.uk [Department of Earth Sciences, Utrecht University, Princetonplein 9, 3584 CC, Utrecht (Netherlands); Department of Chemistry, University College London, 20 Gordon Street, WC1H 0AJ, London (United Kingdom); School of Chemistry, Cardiff University, Main Building, Park PI, Cardiff CF10 3AT (United Kingdom)

    2017-04-01

    Highlights: • Thermodynamically, mono-layer deposition is exothermic on Fe (111) and (100) but endothermic on the Fe (110) facet. • The preferred adsorption site is the hollow site on all surface coverages except the 1 ML covered (110) surface, where the top site is most preferred. • Deposition leads to surface relaxation and no reconstruction, most profound on the stepped (111) surface, with the highest Ni-Fe interactions. • Work function of the bare (100), (110) and (111) surfaces were found to be 3.80 eV, 4.76 eV and 3.84 eV respectively. • Nickel monolayer deposition increases the work function on the (100) and (111) surfaces implying reduced corrosion tendencies. - Abstract: Metal clusters of both iron (Fe) and nickel (Ni) have been found in nature as active electro-catalytic sites, for example in the enzyme carbon mono-oxide dehydrogenase found in autotrophic organisms. Thus, surface modification of iron with nickel could improve the surface work function to enhance catalytic applications. The effects of surface modifications of iron by nickel on the structural and electronic properties have been studied using spin-polarised density functional theory calculations within the generalised gradient approximation. The thermodynamically preferred sites for Ni adsorption on the Fe (100), (110) and (111) surfaces have been studied at varying monolayer coverages (including 0.25 ML and 1 ML). The work function of the bare Fe surfaces is found to be of the order (100) ∼ (111) < (110) i.e. 3.80 eV ∼ 3.84 eV < 4.76 eV, which is consistent with earlier studies. The adsorption energies show that monolayer Ni deposition is thermodynamically favoured on the (100) and (111) surfaces, but not on the (110) surface. Expansion of the first interlayer spacing (d{sub 12}) of all three Fe surfaces is observed upon Ni deposition with the extent of expansion decreasing in the order (111) > (110) > (100), i.e. 6.78% > 5.76% > 1.99%. The extent of relaxation is magnified on

  6. PENGARUH PEMBERIAN FeCl3 TERHADAP PERTUMBUHAN Chaetoceros calcitrans

    Directory of Open Access Journals (Sweden)

    Cahya Laila Oktaviana Putri

    2009-04-01

    Full Text Available Besi termasuk unsur yang esensial bagi makhluk hidup. Pada tumbuhan termasuk algae, besi berperan sebagai penyusun sitokrom dan klorofil. Selain itu, besi juga berperan dalam sistem enzim dan transfer elektron pada proses fotosintesis. Namun, belum diketahui konsentrasi yang tepat untuk pengunaannya oleh algae sehingga diperlukan penelitian yang dapat mengetahui konsentrasi pemakaian FeCl3 untuk perkembangan algae terutama untuk C. calcitrans. Tujuan dari penelitian ini adalah untuk mengetahui pengaruh pemberian FeCl3 terhadap kepadatan C. calcitran sehingga dapat mengetahui konsentrasi FeCl3 yang paling baik terhadap kepadatan C. calcitran. Serta untuk Mengetahui kepadatan C. calcitran berdasarkan hari. Penelitian ini diawali dengan menyetock C. calcitran hingga kepadatan 400 ribu sel/ml kemudian dilanjutkan dengan mengkultur C. calcitran pada toples yang telah dibuat sama parameternya kecuali pemberian FeCl3 sesuai dengan perlakuan. Untuk menganalisa pengaruh pemberian FeCl3 pada konsentrasi yang bebeda terhadap kepadatan C. calcitrans digunakan analisa sidik ragam (ANOVA dua langkah dengan bantuan software SPSS 12 dan dilakukan uji lanjut Tukey (Multiple Comparisons untuk melihat perlakuan yang berbeda dengan membandingkan berbagai hasil perlakuan. Pada konsentrasi FeCl3 0 mg/l berbeda nyata (P<0,05 sedangkan konsentrai FeCl3 0,02 mg/l, 0,2  mg/l, 2 mg/l berbeda signifikan terhadap kepadatan C. calcitrans sehingga hanya konsentrasi FeCl3 0 mg/l yang mempengaruhi kepadatan C. calcitrans. Ini disebabkan karena pemberian konsentrasi terlalu sedikit dan selisih konsentrasi yang kecil sehingga tidak mempengaruhi kepadatan C. calcitrans. Sedangkan untuk hari  diperoleh hari ke-1 dan ke-7 merupakan hari yang signifikan terhadap kepadatan C. calcitrans.  Kata Kunci : Chaetoceros calcitrans, FeCl3 dan kepadatan

  7. Effect of some factors on foliar absorption and mobility of Fe59 in plant

    International Nuclear Information System (INIS)

    Mohamed, F.A.

    1990-01-01

    Three experiments were conducted under greenhouse conditions using Fe 59 and seedlings of guava and orange to study the effect of PH value (3-8), Fe SO 4 concentrations in combination with three values of PH on foliar absorption and mobility of Fe. In addition, a comparative study to evaluate some compounds of iron for foliar spray was achieved. Foliar absorption of Fe 59 by guava leaves and its mobility were considerably influenced by PH value of spray solution. Maximum absorption and translocation were observed at PH 6. However, most of the absorbed iron 'about 90%' was retained in the treated leaves and the portion 'about 10%' acropetally and basipetally translocated. Upward transport of iron was more pronounced than downward one. Total iron in plant derived from applied FeSO 4 was greatly increased, whereas utilization percent of it was reduced by increasing the rate of Fe in spray solution. Generally, FeSO 4 had a good efficiency which ranged from about 25-43%. Specific absorption of iron by orange leaves was higher than that of guava leaves. From plant nutritional point of view, efficiency of FeSo 4 , Fe-metalosate and multi mineral-metalosate as different sources of Fe through foliar application remarkably varied and FeSO 4 was highly efficient one in comparison with metalosate compounds

  8. How oxygen attacks [FeFe] hydrogenases from photosynthetic organisms

    Science.gov (United States)

    Stripp, Sven T.; Goldet, Gabrielle; Brandmayr, Caterina; Sanganas, Oliver; Vincent, Kylie A.; Haumann, Michael; Armstrong, Fraser A.; Happe, Thomas

    2009-01-01

    Green algae such as Chlamydomonas reinhardtii synthesize an [FeFe] hydrogenase that is highly active in hydrogen evolution. However, the extreme sensitivity of [FeFe] hydrogenases to oxygen presents a major challenge for exploiting these organisms to achieve sustainable photosynthetic hydrogen production. In this study, the mechanism of oxygen inactivation of the [FeFe] hydrogenase CrHydA1 from C. reinhardtii has been investigated. X-ray absorption spectroscopy shows that reaction with oxygen results in destruction of the [4Fe-4S] domain of the active site H-cluster while leaving the di-iron domain (2FeH) essentially intact. By protein film electrochemistry we were able to determine the order of events leading up to this destruction. Carbon monoxide, a competitive inhibitor of CrHydA1 which binds to an Fe atom of the 2FeH domain and is otherwise not known to attack FeS clusters in proteins, reacts nearly two orders of magnitude faster than oxygen and protects the enzyme against oxygen damage. These results therefore show that destruction of the [4Fe-4S] cluster is initiated by binding and reduction of oxygen at the di-iron domain—a key step that is blocked by carbon monoxide. The relatively slow attack by oxygen compared to carbon monoxide suggests that a very high level of discrimination can be achieved by subtle factors such as electronic effects (specific orbital overlap requirements) and steric constraints at the active site. PMID:19805068

  9. CHARACTERIZATION OF COMMERCIALLY AVAILABLE ALKALI RESISTANT GLASS FIBER FOR CONCRETE REINFORCEMENT AND CHEMICAL DURABILITY COMPARISON WITH SrO-Mn2O3-Fe2O3-MgO-ZrO2-SiO2 (SMFMZS SYSTEM GLASSES

    Directory of Open Access Journals (Sweden)

    Göktuğ GÜNKAYA

    2012-12-01

    Full Text Available According to the relevant literature, the utilization of different kind of glass fibers in concrete introduces positive effect on the mechanical behavior, especially toughness. There are many glassfibers available to reinforce concretes. Glass fiber composition is so important because it may change the properties such as strength, elastic modulus and alkali resistance. Its most important property to be used in concrete is the alkali resistance. Some glasses of SrO–MgO–ZrO2–SiO2 (SMZS quaternary system, such as 26SrO, 20MgO, 14ZrO2, 40SiO2 (Zrn glass, have been found to be highly alkali resistant thanks to their high ZrO2 and MgO contents. Previous researches on these glasses with MnO and/or Fe2O3 partially replacing SrO have been made with the aim of improving the chemical resistance and decreasing the production cost.The main target of the present study, first of all, was to characterize commercially available alkali resistant glass fiber for concrete reinforcement and then to compare its alkali durability with those of the SrO-Mn2O3-Fe2O3-MgO-ZrO2-SiO2 (SMFMZS system glasses. For such purposes, XRF, Tg-DTA, alkali resistance tests and SEM analysis conducted with EDX were employed. According tothe alkali endurance test results it was revealed that some of the SMFMZS system glass powders are 10 times resistant to alkali environments than the commercial glass fibers used in this study.Therefore, they can be considered as alternative filling materials on the evolution of chemically resistant concrete structures.

  10. Influence of size effect and electron correlation to the energy band gap of CuFeO2 and AgFeO2

    Science.gov (United States)

    Ong, Khuong; Bai, Kewu; Blaha, Peter; Wu, Ping

    2007-03-01

    We have calculated the electronic structure of delafossite type oxides CuFeO2 and AgFeO2 using the Full Potential Linearlized Augmented Plane Wave (FP-LAPW) method within Perdew-Burke-Ernzerhof Generalized-Gradient Approximation (PBE-GGA). A metallic state instead of true insulating state is obtained for CuFeO2 and AgFeO2. The insulating state is reproduced when electron correlations have been taken into account. An effective Hubbard parameter for Fe, Ueff=7.86eV, has been derived based on an ab initio constraint calculation. This value is an over estimation for the optical band gaps of CuFeO2 and most probably for AgFeO2 as well. One reasonable Ueff has been derived by comparing between computational and experimental X-Ray emission spectra. The energy band gap of CuFeO2 and AgFeO2 within the PBE-GGA+U is found as charge transfer gap. Theoretical optical band gaps δ0=1.30eV, δ1=2.06eV, and δ2=3.20eV for CuFeO2 are quite compatible with experimental data. For AgFeO2 an optical band gap δ0=1.90eV has been predicted. The size effect is considered as the origin of the increase in optical and energy band gaps of AgFeO2 in comparison with CuFeO2.

  11. Fe de Erratas

    Directory of Open Access Journals (Sweden)

    Perspectiva Geográfica

    2014-01-01

    Full Text Available La Magíster Sonia Jimena Murillo Munar, autora del artículo titulado “Transporte urbano sostenible: medidas desde la administración y transporte público como alternativa en Bogotá”, publicado en el Volumen No. 13 correspondiente al año 2008, solicita la inclusión de la siguiente FE DE ERRATAS con la enmienda de un error de exclusiva responsabilidad del Equipo Editorial de la Revista.

  12. Trends in the magnetic properties of Fe, Co, and Ni clusters and monolayers on Ir(111), Pt(111), and Au(111)

    Science.gov (United States)

    Bornemann, S.; Šipr, O.; Mankovsky, S.; Polesya, S.; Staunton, J. B.; Wurth, W.; Ebert, H.; Minár, J.

    2012-09-01

    We present a detailed theoretical investigation on the magnetic properties of small single-layered Fe, Co, and Ni clusters deposited on Ir(111), Pt(111), and Au(111). For this, a fully relativistic ab initio scheme based on density functional theory has been used. We analyze the element, size, and geometry specific variations of the atomic magnetic moments and their mutual exchange interactions as well as the magnetic anisotropy energy in these systems. Our results show that the atomic spin magnetic moments in the Fe and Co clusters decrease almost linearly with increasing coordination number on all three substrates, while the corresponding orbital magnetic moments appear to be much more sensitive to the local atomic environment. The isotropic exchange interaction among the cluster atoms is always very strong for Fe and Co exceeding the values for bulk bcc Fe and hcp Co, whereas the anisotropic Dzyaloshinski-Moriya interaction is, in general, one or two orders of magnitude smaller when compared to the isotropic one. For the magnetic properties of Ni clusters, the magnetic properties can show quite a different behavior, and we find in this case a strong tendency towards noncollinear magnetism.

  13. Microstructure evolution and thermal stability of nanostructured Fe50Al30(Ni70Zr30)10B10 powders produced by mechanical alloying

    Science.gov (United States)

    Sekri, A.; Khitouni, M.; Escoda, L.; Suñol, J. J.; Dammak, M.; Greneche, J. M.

    2014-10-01

    The mixtures of Fe, Al, Ni, Zr and B elemental powders with nominal composition Fe50Al30(Ni70Zr30)10B10 were mechanically alloyed in a planetary ball mill. The structural and morphological changes during high energy mechanical alloying were investigated by X-ray diffraction and scanning electron microscopy. The final product of the mechanical alloying process was nanocrystalline iron reach bcc-Fe(Al, Ni, Zr, B) solid solution with a mean crystallite size in the range of a few nanometers. From the Mössbauer spectrometry results, the magnetic hyperfine field was found to decrease with the progressive mixing of the elemental powders at the atomic scale. This decrease emanates mainly from the presence of Al, Zr, Ni and B atomic species as first nearest neighbors of Fe probe. The thermal stability of the as-milled powders was analyzed by differential scanning calorimetry. At early stages of milling, the exothermic peaks observed at higher temperatures correspond to the reaction between the mixed powder elements, while at intermediate stages they are related to the structural transformation associated with the crystallite growth.

  14. Magnetic structure of molecular magnet Fe[Fe(CN) 6

    Indian Academy of Sciences (India)

    We have studied the magnetic structure of Fe[Fe(CN)6]·4H2O, prepared by precipitation method, using neutron diffraction technique. Temperature dependent DC magnetization study down to 4.2 K shows that the compound undergoes from a high temperature disordered (paramagnetic) to an ordered magnetic phase ...

  15. Fe65-PTB2 Dimerization Mimics Fe65-APP Interaction

    Directory of Open Access Journals (Sweden)

    Lukas P. Feilen

    2017-05-01

    Full Text Available Physiological function and pathology of the Alzheimer’s disease causing amyloid precursor protein (APP are correlated with its cytosolic adaptor Fe65 encompassing a WW and two phosphotyrosine-binding domains (PTBs. The C-terminal Fe65-PTB2 binds a large portion of the APP intracellular domain (AICD including the GYENPTY internalization sequence fingerprint. AICD binding to Fe65-PTB2 opens an intra-molecular interaction causing a structural change and altering Fe65 activity. Here we show that in the absence of the AICD, Fe65-PTB2 forms a homodimer in solution and determine its crystal structure at 2.6 Å resolution. Dimerization involves the unwinding of a C-terminal α-helix that mimics binding of the AICD internalization sequence, thus shielding the hydrophobic binding pocket. Specific dimer formation is validated by nuclear magnetic resonance (NMR techniques and cell-based analyses reveal that Fe65-PTB2 together with the WW domain are necessary and sufficient for dimerization. Together, our data demonstrate that Fe65 dimerizes via its APP interaction site, suggesting that besides intra- also intermolecular interactions between Fe65 molecules contribute to homeostatic regulation of APP mediated signaling.

  16. Tunnel Magneto Resistance of Fe/Insulator/Fe

    Science.gov (United States)

    Aryee, Dennis; Seifu, Dereje

    Tri-layer thin films of Fe/Insulator/Fe were synthesized using magnetron DC/ RF sputtering with MgO insulator and Bi2Te3 topological insulators as middle buffer layer. The multi-layered samples thus produced were studied using in-house built magneto-optic Kerr effect (MOKE) instrument, vibrating sample magnetometer (VSM), torque magnetometer (TMM), AFM, MFM, and magneto-resistance (MR). This system, that is Fe/Insulator/Fe on MgO(100) substrate, is a well-known tunnel magneto resistance (TMR) structure often used in magnetic tunnel junction (MTJ) devices. TMR effect is a method by which MTJs are used in developing magneto-resistive random access memory (MRAM), magnetic sensors, and novel logic devices. The main purpose behind this research is to measure the magnetic anisotropy of Fe/Insulator /Fe structure and correlate it to magneto-resistance. In this presentation, we will present results from MOKE, VSM, TMM, AFM, MFM, and MR studies of Fe/Insulator/Fe on MgO(100). We would like to acknowledge support by NSF-MRI-DMR-1337339.

  17. Magnetic properties of Fe1-xMnx/Fe nanocomposites

    DEFF Research Database (Denmark)

    Anhøj, Thomas Aarøe; Jacobsen, Claus Schelde; Mørup, Steen

    2004-01-01

    We have prepared nanocomposites of mixtures of ferromagnetic alpha-Fe and antiferromagnetic gamma-Fe50Mn50 nanoparticles, and studied their magnetic and structural properties by magnetization measurements, Mössbauer spectroscopy, and x-ray diffraction. A sample consisting of a 1:1 mixture...

  18. TEM Studies of B2 Ordered Fe45at%Al Deformed by High Pressure Torsion

    International Nuclear Information System (INIS)

    Mangler, C.; Rentenberger, C.; Karnthaler, H.P.

    2005-01-01

    Full text: It is known that B2 ordered FeAl is very brittle in a wide range of compositions. Therefore strong plastic deformation as cold rolling is usually leading to severe cracking. In order to achieve a high grade of deformation high pressure torsion (HPT) was used to carry out severe plastic deformation while avoiding fracture. During the HPT procedure a sample of polycrystalline Fe45at%Al (diameter ∼ 8 mm and thickness of ∼ 0.8 mm) was rotated 1.25 turns between two anvils under a pressure of 8 GPa at RT. From different areas of the sample (with shear strains up to 4000 %) thin foils were prepared by grinding and electro polishing. Transmission electron microscopic (TEM) investigations were carried out using a Philips CM 200 operating at an acceleration voltage of 200 kV. B2 structured FeAl deforms by the glide of superdislocations. In TEM bright field images elongated areas showing a high density of dislocations were found that lead to small, alternating misorientations between neighbouring bands. Because of the high density of dislocations individual ones can only be resolved in weakbeam dark-field images. The bands have an average width of about 300 nm and lie parallel to a {123} plane, that is one of the liKEXly slip-planes in bcc crystals. No indication of deformation induced disordering was found, which is contrary to L1 2 ordered Cu 3 Au where local complete disordering is observed after HPT deformation. (author)

  19. Electronic structure and magnetic properties of Pd sub(3)Fe

    International Nuclear Information System (INIS)

    Kuhnen, C.A.

    1988-01-01

    In this work we study the electronic and magnetic properties of the Pd sub(3)Fe alloy. For the ordered phase of Pd sub(3)Fe we employed the Linear Muffin-Tin Orbitals Method, with the atomic sphere approximation, which is a first principles method and includes spin polarization. The theoretical results for the thermal and magnetic properties show good agreement with experience. Here we explain the formation of the localized magnetic moments from completely itinerant electrons. We investigate the influence of the hydrogen in the physical properties of the compound Pd sub(3)Fe, where we obtain a drastic reduction in the magnetic moments at the Pd and Fe sites. This reduction is confirmed by experience. The self consistent potentials of the Pd sub(3)Fe compound were used for an analysis of the influence of the disorder in the electronic structure of Pd sub(3)Fe alloy. To this end, we employ a spin polarized version of the Green's Function Method with the Coherent Potential Approximation (or KKR-CPA). The results obtained show that in random ferromagnetic alloys different degrees of disorder occurs for the different spin directions. The formation of the magnetic moments in these alloys were explained from the existence of 'virtual crystal' states for spin up electrons and 'split band' states for spin down electrons. Finally we employ the muffin-tin orbitals to calculate the X-ray photoemission spectra of the Pd sub(3)Fe and Pd sub(3)FeH compounds, which allows us a direct comparison between theory and experiment. (author)

  20. State of art in FE-based fuel performance codes

    International Nuclear Information System (INIS)

    Kim, Hyo Chan; Yang, Yong Sik; Kim, Dae Ho; Bang, Je Geon; Kim, Sun Ki; Koo, Yang Hyun

    2013-01-01

    Fuel performance codes approximate this complex behavior using an axisymmetric, axially-stacked, one-dimensional radial representation to save computation cost. However, the need for improved modeling of PCMI and, particularly, the importance of multidimensional capability for accurate fuel performance simulation has been identified as safety margin decreases. Finite element (FE) method that is reliable and proven solution in mechanical field has been introduced into fuel performance codes for multidimensional analysis. The present state of the art in numerical simulation of FE-based fuel performance predominantly involves 2-D axisymmetric model and 3-D volumetric model. The FRAPCON and FRAPTRAN own 1.5-D and 2-D FE model to simulate PCMI and cladding ballooning. In 2-D simulation, the FALCON code, developed by EPRI, is a 2-D (R-Z and R-θ) fully thermal-mechanically coupled steady-state and transient FE-based fuel behavior code. The French codes TOUTATIS and ALCYONE which are 3-D, and typically used to investigate localized behavior. In 2008, the Idaho National Laboratory (INL) has been developing multidimensional (2-D and 3-D) nuclear fuel performance code called BISON. In this paper, the current state of FE-based fuel performance code and their models are presented. Based on investigation into the codes, requirements and direction of development for new FE-based fuel performance code can be discussed. Based on comparison of models in FE-based fuel performance code, status of art in the codes can be discussed. A new FE-based fuel performance code should include typical pellet and cladding models which all codes own. In particular, specified pellet and cladding model such as gaseous swelling and high burnup structure (HBS) model should be developed to improve accuracy of code as well as consider AC condition. To reduce computation cost, the approximated gap and the optimized contact model should be also developed

  1. Optimized Expression and Purification for High-Activity Preparations of Algal [FeFe]-Hydrogenase

    Energy Technology Data Exchange (ETDEWEB)

    Yacoby, I.; Tegler, L. T.; Pochekailov, S.; Zhang, S.; King, P. W.

    2012-04-01

    Recombinant expression and purification of metallo-enzymes, including hydrogenases, at high-yields is challenging due to complex, and enzyme specific, post-translational maturation processes. Low fidelities of maturation result in preparations containing a significant fraction of inactive, apo-protein that are not suitable for biophysical or crystallographic studies. We describe the construction, overexpression and high-yield purification of a fusion protein consisting of the algal [2Fe2S]-ferredoxin PetF (Fd) and [FeFe]-hydrogenase HydA1. The maturation of Fd-HydA1 was optimized through improvements in culture conditions and media components used for expression. We also demonstrated that fusion of Fd to the N-terminus of HydA1, in comparison to the C-terminus, led to increased expression levels that were 4-fold higher. Together, these improvements led to enhanced HydA1 activity and improved yield after purification. The strong binding-affinity of Fd for DEAE allowed for two-step purification by ion exchange and StrepTactin affinity chromatography. In addition, the incorporation of a TEV protease site in the Fd-HydA1 linker allowed for the proteolytic removal of Fd after DEAE step, and purification of HydA1 alone by StrepTactin. In combination, this process resulted in HydA1 purification yields of 5 mg L{sup -1} of culture from E. coli with specific activities of 1000 U (U = 1 {micro}mol hydrogen evolved mg{sup -1} min{sup -1}). The [FeFe]-hydrogenases are highly efficient enzymes and their catalytic sites provide model structures for synthetic efforts to develop robust hydrogen activation catalysts. In order to characterize their structure-function properties in greater detail, and to use hydrogenases for biotechnological applications, reliable methods for rapid, high-yield expression and purification are required.

  2. Study of (La, Ce)(Pd, Mn, Fe, Co) O3-Perovskite catalysts characterization with nanoparticles produced by compressor and vacuum until 20/000 km and comparison with imported catalyst of Iran Khodro

    International Nuclear Information System (INIS)

    Khanfekr, A.; Arzani, K.; Nemati, A.; Hossaini, M.

    2009-01-01

    (La,Ce)(Pd,Mn,Fe,Co)O 3 - Perovskite catalyst was prepared by the citrate route and deposited on ceramic monoliths via dip coating procedure by compressor and vacuum method. The catalyst was applied on Rd car with XU7 motors model and the amount of emission was monitored with vehicle emission test systems in Sapco Company after 10000 and 20/000 Km. The results indicate low emission in catalyst with vacuum method and were compared with the imported catalyst with noble metals such as Palladium, Platinum and Rhodium by Iran Khodro Company b ased on the Euro III standards . The catalysts were characterized by specific surface area measurements, scanning electron microscopy, X-ray diffraction, line scan and map. In the results indicated in the home made sample, the amount of carbon monoxide, nitrogen oxides and hydrocarbons were lower than imported catalyst with Iran Khodro company with nobel metals. The illustration shows Nano Particles size on coat. The microstructure evaluation showed that the improved properties can he related to the existence of nano particles on coating.

  3. Comparison of two different synthesis methods of perovskites, SrCo0.5FeO3 type, aiming at evaluating their use as membranes for partial oxidation of methane

    Directory of Open Access Journals (Sweden)

    Noronha F.B.

    2004-01-01

    Full Text Available In this work two different synthesis methods of perovskites, SrCo0.5FeO3, were compared: combustion synthesis and oxides mixture aiming at evaluating their use as membranes for partial oxidation of methane. The combustion synthesis method explores an exothermic, generally very fast and self-sustaining chemical reaction between the desired metal salts and a suitable organic fuel, which is ignited at a temperature much lower than the actual phase formation temperature. The oxides mixture are based on a physical mixture of the powder oxides followed by calcination to obtain the desired phase. In order to obtain the membranes, we studied the conformation of bodies and the temperatures of sintering in the two powders synthesized. The powders were analyzed by density and grain size distribution and characterized by X-ray diffraction (XRD and scanning electron microscopy (SEM. After conformation, in cylindrical form, the green bodies were analyzed by density. After sintering at 1150 °C, the membranes were analyzed by density and they were characterized by XRD and SEM. The powder obtained by combustion synthesis shows lower density and fine grains than the other obtained by oxides mixture. The membranes obtained present very different morphology depending on the precursor powder synthesis. The sintered membranes obtained by combustion method also present a very uniform morphology without segregation.

  4. Dolo y mala fe

    Directory of Open Access Journals (Sweden)

    Carlos Arturo Gómez Pavajeau

    2010-12-01

    Full Text Available Se ha dicho por grandes penalistas que las tesis en nuestra disciplina son una eterna vuelta al pasado. Empero, debe constatarse, que ello se ha dicho en un sentido de lo clásico: una vuelta a lo que resulta digno de admirar en cualquier época, toda vez que las experiencias históricas negativas nos previenen de repetir el pasado, razón fundamental por la cual debemos conocerlo. En este escrito pretendemos mostrar cómo algunas tendencias actuales nos indican que épocas nefastas ya superadas pueden repetirse, lo cual particularmente sucede tanto con la noción de dolo como con la de mala fe, concepto que de imponerse destruiría, a la manera como se derrumba un castillo de naipes, el sólido edificio dogmático construido por el Derecho penal liberal.

  5. Powder metallurgy and mechanical alloying effects on the formation of thermally induced martensite in an FeMnSiCrNi SMA

    Directory of Open Access Journals (Sweden)

    Pricop Bogdan

    2015-01-01

    Full Text Available By ingot metallurgy (IM, melting, alloying and casting, powder metallurgy (PM, using as-blended elemental powders and mechanical alloying (MA of 50 % of particle volume, three types of FeMnSiCrNi shape memory alloy (SMA specimens were fabricated, respectively. After specimen thickness reduction by hot rolling, solution treatments were applied, at 973 and 1273 K, to thermally induce martensite. The resulting specimens were analysed by X-ray diffraction (XRD and scanning electron microscopy (SEM, in order to reveal the presence of ε (hexagonal close-packed, hcp and α’ (body centred cubic, bcc thermally induced martensites. The reversion of thermally induced martensites, to γ (face centred cubic, fcc austenite, during heating, was confirmed by dynamic mechanical analysis (DMA, which emphasized marked increases of storage modulus and obvious internal friction maxima on DMA thermograms. The results proved that the increase of porosity degree, after PM processing, increased internal friction, while MA enhanced crystallinity degree.

  6. First-principles investigation of the stability of MN and CrMN precipitates under coherency strains in α-Fe (M = V, Nb, Ta)

    Science.gov (United States)

    Fors, Dan H. R.; Wahnström, Göran

    2011-06-01

    We perform a systematic ab initio study of the interface energetics of thin coherent rocksalt (nacl) structured MN and tetragonal CrMN films in bcc Fe (M = V, Nb, Ta), motivated by the vital role of MN and CrMN precipitates for the long-term creep resistance in 9%-12%Cr steels. The similarities and differences in the work of separations and the elastic costs for the coherency strains are identified, and the possibility for formation of coherent films are discussed. Our findings provide valuable information of the interface energetics, which in continuation can be combined with thermodynamical modeling to obtain a better understanding of the initial nucleation stage of the MN and CrMN precipitates, and their influence on the long-term microstructural evolution in 9%-12%Cr steels.

  7. A density functional theory study on the active center of Fe-only hydrogenase: characterization and electronic structure of the redox states.

    Science.gov (United States)

    Liu, Zhi-Pan; Hu, P

    2002-05-08

    We have carried out extensive density functional theory (DFT) calculations for possible redox states of the active center in Fe-only hydrogenases. The active center is modeled by [(H(CH(3))S)(CO)(CN(-))Fe(p)(mu-DTN)(mu-CO)Fe(d)(CO)(CN(-))(L)](z)() (z is the net charge in the complex; Fe(p)= the proximal Fe, Fe(d) = the distal Fe, DTN = (-SCH(2)NHCH(2)S-), L is the ligand that bonds with the Fe(d) at the trans position to the bridging CO). Structures of possible redox states are optimized, and CO stretching frequencies are calculated. By a detailed comparison of all the calculated structures and the vibrational frequencies with the available experimental data, we find that (i) the fully oxidized, inactive state is an Fe(II)-Fe(II) state with a hydroxyl (OH(-)) group bonded at the Fe(d), (ii) the oxidized, active state is an Fe(II)-Fe(I) complex which is consistent with the assignment of Cao and Hall (J. Am. Chem. Soc. 2001, 123, 3734), and (iii) the fully reduced state is a mixture with the major component being a protonated Fe(I)-Fe(I) complex and the other component being its self-arranged form, Fe(II)-Fe(II) hydride. Our calculations also show that the exogenous CO can strongly bond with the Fe(II)-Fe(I) species, but cannot bond with the Fe(I)-Fe(I) complex. This result is consistent with experiments that CO tends to inhibit the oxidized, active state, but not the fully reduced state. The electronic structures of all the redox states have been analyzed. It is found that a frontier orbital which is a mixing state between the e(g) of Fe and the 2 pi of the bridging CO plays a key role concerning the reactivity of Fe-only hydrogenases: (i) it is unoccupied in the fully oxidized, inactive state, half-occupied in the oxidized, active state, and fully occupied in the fully reduced state; (ii) the e(g)-2 pi orbital is a bonding state, and this is the key reason for stability of the low oxidation states, such as Fe(I)-Fe(I) complexes; and (iii) in the e(g)-2 pi orbital

  8. Micro-X-ray fluorescence-based comparison of skeletal structure and P, Mg, Sr, O and Fe in a fossil of the cold-water coral Desmophyllum sp., NW Pacific

    Science.gov (United States)

    Yoshimura, Toshihiro; Suzuki, Atsushi; Tamenori, Yusuke; Kawahata, Hodaka

    2014-02-01

    Micro-scale distributions of trace and minor elements in, for example, coral skeletons are crucial as geochemical tracers of past environmental conditions, because they have the inherent advantage of accounting for confounding diagenetic and physiological effects. To extract reproducible paleoceanographic records from coral skeletons, a selective measurement of specific ultrastructures at high spatial resolution is required. Compared to warm-water reef-building corals, such data are limited in cold-water corals and, to the best of the authors' knowledge, the latter have to date not been examined by means of micro-X-ray fluorescence. This technique was used for micrometer-scale imaging of P, Mg, Sr, O, and Fe intensities (counts per unit time) in a fossil specimen (as yet unknown age) of the cold-water coral Desmophyllum sp. from surface sediments of the NW Pacific. Cross plots confirmed that the micro-XRF signals were associated with corresponding trends in elemental concentration (ppm). Two major structural components of the septum—centers of calcification (COCs) and the surrounding fibrous aragonite portion—differed in composition. The COCs were characterized by higher intensities of P and Mg (650 and 220 counts per 5 s, respectively), and lower intensities of Sr (2,800) and O (580; corresponding values for the fibrous aragonite are 370, 180, 3,300 and 620 counts per 5 s, respectively). Oxygen intensity values were mostly homogeneous, but slightly lower in COCs and substantially higher in a well-defined patch in the fibrous aragonite. The mostly homogeneous P signals in the fibrous aragonite confirm the utility of this structural component and of coral septa in general for tracer studies of oceanic P. Nevertheless, spot occurrences of elevated P (>950 counts per 5 s) spanning tens of micrometers in specific parts of the fibrous region of the septum would cause overestimates of oceanic P, and should evidently not be overlooked in future research. The

  9. Preparation and Mechanical Properties of TiC-Fe Cermets and TiC-Fe/Fe Bilayer Composites

    Science.gov (United States)

    Zheng, Yong; Zhou, Yang; Li, Runfeng; Wang, Jiaqi; Chen, Lulu; Li, Shibo

    2017-10-01

    TiC-Fe cermets and TiC-Fe/Fe bilayer composites consisting of a pure Fe layer and a TiC-Fe cermets layer were fabricated by hot-pressing sintering. The pure Fe layer contributes to the toughness of composites, and the TiC-Fe cermets layer endows the composites with an improved tensile strength and hardness. The effect of TiC contents (30-60 vol.%) on the mechanical properties of TiC-Fe cermets and TiC-Fe/Fe bilayer composites was investigated. Among the TiC-Fe cermets, the 40 vol.% TiC-Fe cermets possessed the highest tensile strength of 581 MPa and Vickers hardness of 5.1 GPa. The maximum fracture toughness of 17.0 MPa m1/2 was achieved for the TiC-Fe cermets with 30 vol.% TiC. For the TiC-Fe/Fe bilayer composites, the 40 vol.% TiC-Fe/Fe bilayer composite owns the maximum tensile strength of 588 MPa, which is higher than that of 40 vol.% TiC-Fe cermets. In addition, the 33.5% increment of tensile strength of 30 vol.% TiC-Fe/Fe bilayer composite comparing with the 30 vol.% TiC-Fe cermets, which is attributed to the 30 vol.% TiC-Fe/Fe bilayer composite exhibited the largest interlaminar shear strength of 335 MPa. The bilayer composites are expected to be used as wear resistance components in some heavy wear conditions.

  10. First-principles calculation of the structure and electronic properties of Fe-substituted Bi2Ti2O7

    Science.gov (United States)

    Huang, Jin-Dou; Zhang, Zhenyi; Lin, Feng; Dong, Bin

    2017-12-01

    We performed first-principles calculations to investigate the formation energy, geometry structure, and electronic property of Fe-doped Bi2Ti2O7 systems with different Fe doping content. The calculated formation energies indicate that the substitutional configurations of Fe-doping Bi2Ti2O7 are easy to obtain under O-rich growth condition, but their thermodynamic stability decreases with the increase of Fe content. The calculated spin-resolved density of states and band structures indicate that the introduction of Fe into Bi2Ti2O7 brings high spin polarization. The spin-down impurity levels in Fe x Bi2-x Ti2O7 and spin-up impurity levels in Fe x Bi2Ti2-x O7 systems locate in the bottom of conduction band and narrow the band gap significantly, thus leading to the absorption of visible light. Interestingly, the impurity states in Fe x Bi2-x Ti2O7 are the efficient separation center of photogenerated electron and hole, and less affected by Fe doping content, in comparison, the levels of impurity band in Fe x Bi2Ti2-x O7 systems are largely effected by the Fe doping content, and high Fe doping content is the key factor to improve the separating rate of photogenerated electron and hole.

  11. Microstructural Evolution of AlCoCrFeNiSi High-Entropy Alloy Powder during Mechanical Alloying and Its Coating Performance.

    Science.gov (United States)

    Tian, Lihui; Fu, Ming; Xiong, Wei

    2018-02-23

    High-entropy alloys (HEAs) are promising structural materials due to their excellent comprehensive performances. The use of mechanically alloyed powders to deposit HEA coatings through atmospheric plasma spraying (APS) is an effective approach that can broaden the application areas of the HEAs. In this paper, a ductility-brittleness AlCoCrFeNiSi system was chosen as an object of study, and the detailed evolution of the surface morphology, particle size distribution, and microstructure of the powder during mechanical alloying was investigated. An AlCoCrFeNiSi HEA coating was deposited using powder milled for 10 h, which can be used as an ideal feedstock for APS. The surface morphology, microstructure, microhardness, and wear behavior of the coating at room temperature were investigated. The results showed that as the milling time increased, the particle size first increased, and then decreased. At the milling time of 10 h, simple body-centered cubic (BCC) and face-centered cubic (FCC) solid solution phases were formed. After spraying, the lamellar structure inside a single particle disappeared. An ordered BCC phase was detected, and the diffraction peaks of the Si element also disappeared, which indicates that phase transformation occurred during plasma spraying. A transmission electron microscopy analysis showed that nanometer crystalline grains with a grain size of about 30 nm existed in the APS coating. For the coating, an average microhardness of 612 ± 41 HV was obtained. Adhesive wear, tribo-oxidation wear, and slight abrasion wear took place during the wear test. The coating showed good wear resistance, with a volume wear rate of 0.38 ± 0.08 × 10 -4 mm³·N -1 ·m -1 , which makes it a promising coating for use in abrasive environments.

  12. Microstructural Evolution of AlCoCrFeNiSi High-Entropy Alloy Powder during Mechanical Alloying and Its Coating Performance

    Directory of Open Access Journals (Sweden)

    Lihui Tian

    2018-02-01

    Full Text Available High-entropy alloys (HEAs are promising structural materials due to their excellent comprehensive performances. The use of mechanically alloyed powders to deposit HEA coatings through atmospheric plasma spraying (APS is an effective approach that can broaden the application areas of the HEAs. In this paper, a ductility–brittleness AlCoCrFeNiSi system was chosen as an object of study, and the detailed evolution of the surface morphology, particle size distribution, and microstructure of the powder during mechanical alloying was investigated. An AlCoCrFeNiSi HEA coating was deposited using powder milled for 10 h, which can be used as an ideal feedstock for APS. The surface morphology, microstructure, microhardness, and wear behavior of the coating at room temperature were investigated. The results showed that as the milling time increased, the particle size first increased, and then decreased. At the milling time of 10 h, simple body-centered cubic (BCC and face-centered cubic (FCC solid solution phases were formed. After spraying, the lamellar structure inside a single particle disappeared. An ordered BCC phase was detected, and the diffraction peaks of the Si element also disappeared, which indicates that phase transformation occurred during plasma spraying. A transmission electron microscopy analysis showed that nanometer crystalline grains with a grain size of about 30 nm existed in the APS coating. For the coating, an average microhardness of 612 ± 41 HV was obtained. Adhesive wear, tribo-oxidation wear, and slight abrasion wear took place during the wear test. The coating showed good wear resistance, with a volume wear rate of 0.38 ± 0.08 × 10−4 mm3·N−1·m−1, which makes it a promising coating for use in abrasive environments.

  13. Thermal elastic properties of liquid Fe-C at high pressure

    Science.gov (United States)

    Shimoyama, Y.; Terasaki, H. G.; Urakawa, S.; Takubo, Y.; Watanuki, T.; Katayama, Y.; Kondo, T.

    2015-12-01

    Planetary outer core contains some light elements and these elements affect thermo-elastic parameters of pure iron. The effect of light elements on density and bulk modulus of liquid iron is necessary for estimating of these core compositions. Sound velocity of liquid iron alloys is also important for identifying light elements in the core by comparison with observed seismic data. We have measured sound velocity and density of liquid Fe-C simultaneously at high pressure. High pressure experiments were performed using a DIA-type cubic anvil press (SMAP-180) at BL22XU beamline, SPring-8 synchrotron in Japan. Sound velocity (VP) was measured using pulse-echo overlapping method (Higo et al., 2009). Density (ρ) was measured using X-ray absorption method (Katayama et al., 1993). We measured velocity and density of liquid Fe-C between 1.1-5.8 GPa and 1480-1700 K. Obtained density and velocity of Fe-C was found to increase with pressure. This study shows the VP of liquid Fe-C decreased with increasing temperature. Previous study of liquid Fe-S shows little change with increasing temperature at all pressure conditions (Nishida et al., 2013, Jing et al., 2014). We fit the relationship between VP and pressure using Murnaghan's equation of state. We obtained KS0 = 102.5(1.2) GPa, K'S = 5.2(0.4) at 1700 K. Comparison of the present data with previous study, KS is similar to liquid Fe but liquid Fe-S is small. We compared the relation between density and sound velocity of liquid Fe-C. We have found that the behavior of liquid Fe-C is similar to that of liquid Fe in the Birch's plot. The effect of carbon on liquid Fe is small on Birch's plot.

  14. Preparation and characterization of new cathodic materials for Li-ion battery based polypyrrole-FePO4

    International Nuclear Information System (INIS)

    Fedorkova, A.; Kaniansky, D.; Orinakova, R.; Orinak, A.

    2009-01-01

    To investigate the electrochemical properties and stability of our samples, we used cyclic voltammetry and electrochemical impedance spectroscopy. We found that PEG-PPy layer on the particles FePO 4 considerably increased material conductivity in comparison with a layer of pure PPy. It also improved the incorporation of Li + ions into FePO 4 structure during charging and discharging. (Authors)

  15. The ferromagnetic shape memory system Fe-Pd-Cu

    Energy Technology Data Exchange (ETDEWEB)

    Hamann, S. [Institute of Materials, Faculty of Mechanical Engineering, Ruhr-University Bochum, 44801 Bochum (Germany); Gruner, M.E. [Faculty of Physics and Center for Nanointegration, CeNIDE, University of Duisburg-Essen, 47048 Duisburg (Germany); Irsen, S. [Forschungszentrum caesar, Electron Microscopy, 53175 Bonn (Germany); Buschbeck, J. [IFW Dresden, P.O. Box: 270116, 01171 Dresden (Germany); Bechtold, C. [Inorganic Functional Materials, Christian-Albrechts-University, 24143 Kiel (Germany); Kock, I. [I. Physikalisches Institut, Georg-August-University Goettingen, 37077 Goettingen (Germany); Mayr, S.G. [I. Physikalisches Institut, Georg-August-University Goettingen, 37077 Goettingen (Germany)] [Leibniz-Institut fuer Oberflaechenmodifizierung eV, Translationszentrum fuer regenerative Medizin und Fakultaet fuer Physik und Geowissenschaften, University Leipzig, 04318 Leipzig (Germany); Savan, A.; Thienhaus, S. [Institute of Materials, Faculty of Mechanical Engineering, Ruhr-University Bochum, 44801 Bochum (Germany); Quandt, E. [Inorganic Functional Materials, Christian-Albrechts-University, 24143 Kiel (Germany); Faehler, S. [IFW Dresden, P.O. Box: 270116, 01171 Dresden (Germany); Entel, P. [Faculty of Physics and Center for Nanointegration, CeNIDE, University of Duisburg-Essen, 47048 Duisburg (Germany); Ludwig, A., E-mail: alfred.ludwig@rub.de [Institute of Materials, Faculty of Mechanical Engineering, Ruhr-University Bochum, 44801 Bochum (Germany)

    2010-10-15

    A new ferromagnetic shape memory thin film system, Fe-Pd-Cu, was developed using ab initio calculations, combinatorial fabrication and high-throughput experimentation methods. Reversible martensitic transformations are found in extended compositional regions, which have increased fcc-fct transformation temperatures in comparison to previously published results. High resolution transmission electron microscopy verified the existence of a homogeneous ternary phase without precipitates. Curie temperature, saturation polarization and orbital magnetism are only moderately decreased by alloying with nonmagnetic Cu. Compared to the binary system; enhanced Invar-type thermal expansion anomalies in terms of an increased volume magnetostriction are predicted. Complementary experiments on splat-fabricated bulk Fe-Pd-Cu samples showed an enhanced stability of the disordered transforming Fe{sub 70}Pd{sub 30} phase against decomposition. From the comparison of bulk and thin film results, it can be inferred that, for ternary systems, the Fe content, rather than the valence electron concentration, should be regarded as the decisive factor determining the fcc-fct transformation temperature.

  16. (FeCo)3Si-SiOx core-shell nanoparticles fabricated in the gas phase

    International Nuclear Information System (INIS)

    Bai Jianmin; Xu Yunhao; Thomas, John; Wang Jianping

    2007-01-01

    A method of fabricating core-shell nanoparticles by using an integrated nanoparticle deposition technique in the gas phase is reported. The principle of the method is based on nanoparticle growth from the vapour phase, during which elements showing lower surface energies prefer to form the shells and elements showing higher surface energies prefer to stay in the cores. This method was applied successfully to the Fe-Co-Si ternary system to fabricate core-shell-type nanoparticles. The nanoparticles were exposed in air after collection to achieve oxidation. The analysis results based on transmission electron microscopy (TEM), Auger electron spectroscopy (AES), x-ray diffraction (XRD), and a superconducting quantum interference device (SQUID) showed that the core parts are magnetic materials of body-centred cubic (bcc) structured (FeCo) 3 Si of 15 nm in diameter, and the shell parts are amorphous SiO x of 2 nm in thickness. These core-shell-type nanoparticles show a magnetic anisotropy constant of about 7 x 10 5 erg cm -3 and a saturation magnetization of around 1160 emu cm -3 , which is much higher than that of iron oxide. After annealing at 300 deg. C in air (FeCo) 3 Si-SiO x core-shell-type nanoparticles showed a little bit of a drop in magnetic moment, while pure FeCo nanopariticles totally lost their magnetic moment. This means that the shells of SiO x are dense enough to prevent the magnetic cores from oxidation

  17. Phase diagram for Zr-Fe(0-66,6 at.%Fe)

    International Nuclear Information System (INIS)

    Malakhova, T.O.; Kobylkin, A.N.

    1982-01-01

    The Zr-Fe alloy system is investigated by the methods of X-ray diffraction and microstructure analyses. The existence of Zr 3 Fe compound is confirmed which is resulted from a peritectic reaction β+Zr 2 Fe reversible Zr 3 Fe; the formation temperature (approximately 885 deg C) is determined for Zr 3 Fe. It is found that Zr 2 Fe compound (tetragonal structure, a=6.384 A, c=5.598 A, c/a=0.877) decomposes according to an eutectoid reaction Zr 2 Fe reversible Zr 3 Fe+ZrFe 3 at 775 deg C. Using differential thermal analysis α reversible β transformation temperatures are determined; temperatures of eutectic L reversible β+Zr 2 Fe and peritectic L+ZrFe 2 reversible Zr 2 Fe equilibria are found to be 928 and 974 deg C respectively. The Zr-Fe (0-66.6 at.%Fe) phase diagram is constructed [ru

  18. Observations of stress-strain curves of hcp-Fe at high pressures and temperatures

    Science.gov (United States)

    Nishiyama, N.; Wang, Y.; Rivers, M. L.; Sutton, S. R.

    2005-12-01

    We performed in-situ X-ray diffraction and radiography experiments of hcp-Fe within its stability field to observe some independent stress-strain curves of this material. Deformation experiments were carried out at the GSECARS 13-BM-D beamline (APS) using a deformation-DIA with a monochromatic X-ray diffraction and a radiographic imaging system. We used four tungsten carbide and two sintered diamond (SD) anvils with truncated edge length of 2 mm. Pressure medium was a mixture of boron and epoxy and a cylindrical graphite furnace was employed. The starting material is a fragment of pure bcc-Fe wire (0.5 mm in diameter and 0.5 mm long) and two deformation pistons made of alumina were situated above and below the sample. First, the cell assembly was compressed uniformly at room temperature up to about 13 GPa. After that, the sample was heated to about 700 K and we observed transformation of the sample to hcp-Fe. Several deformation cycles were repeated at high pressures and temperatures after the transformation. The incident beam was directed through an anvil-gap and impinged the sample. The diffracted X-rays went through the SD anvils, and thus we were able to observe diffraction Debye rings over the entire 360 degrees detector azimuth range. Two-dimensional diffraction patterns were collected using an X-ray CCD detector. Using distortion of the Debye rings from the true circle and single-crystal elastic moduli of hcp-Fe, differential stresses can be calculated. The sample length was measured by radiography using a wide X-ray beam. Using the radiographic data, axial strains of the sample can be determined. We observed ten independent stress-strain curves with pressures of about 12 GPa, axial strains in excess of 15 percent, three different temperatures, and some strain rates. These stress-strain curves indicate that hcp-Fe deforms elastically at the beginning of deformation. In some of these, we observed saturation of the sample stresses, which means that the

  19. Correlation of postabsorptive serum iron increase and erythrocyte-59Fe-incorporation with the whole body retention of absorbed 59Fe

    International Nuclear Information System (INIS)

    Heinrich, H.C.; Fischer, R.

    1982-01-01

    Following the oral application of 100 mg 59 Fe-equivalents in different ferrous iron preparations the whole body retention and erythrocyte incorporation of absorbed 59 Fe as well as the postabsorptive serum increase SII after 3 h were estimated by intraindividual and simultaneous comparison in healthy subjects with normal and depleted iron stores. A regression equation and a Spearman rank correlation coefficient r = 0.93 were found to describe the correlation between whole body- 59 Fe-retention R (mg Fe) and erythrocyte- 59 Fe-incorporation EI (mg Fe) after 2 weeks. The correlation between the postabsorptive serum iron increase SII (μmol/l) after 3 h and the whole body- 59 Fe-retention R after 2 weeks is characterized by a regression equation and a correlation coefficient r = 0.88. Whole body counting of absorbed 59 Fe represents the most sensitive, reliable and only quantitative method for measuring iron absorption or bioavailability in man. If however this method is not available postabsorptive serum increase and it's conversion into iron absorption using the described regression equation is a useful substitute for the at least semiquantitative estimation of iron bioavailability from oral iron preparations. (orig./MG)

  20. Magnetic and structural properties of high relative cooling power (Fe70Ni30)92Mn8 magnetocaloric nanoparticles

    Science.gov (United States)

    Chaudhary, V.; Ramanujan, R. V.

    2015-08-01

    Earth-abundant, low-cost, and rare earth free magnetocaloric nanomaterials have attracted considerable attention for affordable, ‘green’, energy-efficient thermal management applications. Hence, we investigated the magnetocaloric properties and critical behavior of (Fe70Ni30)92Mn8 alloy nanoparticles. A near room temperature magnetocaloric effect, with a high relative cooling power (RCP), was obtained by alloying FeNi with Mn and fcc (γ) phase stabilization. The Curie temperature (T C) of the γ- phase was 40 K less than that of the T C of the bcc (α) phase. For a field change of 5 T, the RCP for the α- and γ- phase was found to be 507 J kg-1 and 466 J kg-1, respectively; these values are higher than those for Gd nanoparticles. The RCP exhibited a power law relationship with magnetic field H. Critical exponents values of δ = 4.71, β = 0.319 and γ = 1.195 were obtained, close to those obtained from the short range order 3D-Heisenberg model. Our results demonstrate the feasibility of developing high RCP, low-cost, rare earth free magnetocaloric nanoparticles for near room temperature applications.

  1. Rapid preparation of α-FeOOH and α-Fe{sub 2}O{sub 3} nanostructures by microwave heating and their application in electrochemical sensors

    Energy Technology Data Exchange (ETDEWEB)

    Marinho, J.Z.; Montes, R.H.O. [Universidade Federal de Uberlândia, Instituto de Química, 38400-902 Uberlândia, MG (Brazil); Moura, A.P. de; Longo, E.; Varela, J.A. [Universidade Estadual Paulista, Instituto de Química, 14800-900 Araraquara, SP (Brazil); Munoz, R.A.A. [Universidade Federal de Uberlândia, Instituto de Química, 38400-902 Uberlândia, MG (Brazil); Lima, R.C., E-mail: rclima@iqufu.ufu.br [Universidade Federal de Uberlândia, Instituto de Química, 38400-902 Uberlândia, MG (Brazil)

    2014-01-01

    Graphical abstract: - Highlights: • Simple microwave method leads to the rapid formation of the goethite and hematite. • Homogenous nucleation and growth of particles are controlled by synthesis time. • Modified electrode with α-FeOOH nanoplates improved the electrochemical response. • The sample is directly heated by microwaves and its crystallization is accelerated. • Fe{sup 3+} nanostructures are promising for development of electrochemical sensors. - Abstract: α-FeOOH (goethite) and α-Fe{sub 2}O{sub 3} (hematite) nanostructures have been successfully synthesized using the microwave-assisted hydrothermal (MAH) method and by the rapid burning in a microwave oven of the as-prepared goethite, respectively. The orthorhombic α-FeOOH to rhombohedralα-Fe{sub 2}O{sub 3} structural transformation was observed by X-ray diffraction (XRD) and Raman spectroscopy results. Plates-like α-FeOOH prepared in 2 min and rounded and quasi-octahedral shaped α-Fe{sub 2}O{sub 3} particles obtained in 10 min were observed using field emission gun scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM). The use of microwave heating allowed iron oxides to be prepared with shorter reaction times when compared to other synthesis methods. α-FeOOH nanoplates were incorporated into graphite-composite electrodes, which presented electrocatalytic properties towards the electrochemical oxidation of ascorbic acid in comparison with unmodified electrodes. This result demonstrates that such α-FeOOH nanostructures are very promising chemical modifiers for the development of improved electrochemical sensors.

  2. Thermodynamic modeling of the Fe-Mg-Si system

    Directory of Open Access Journals (Sweden)

    Du Y.

    2007-01-01

    Full Text Available A thermo dynamic modeling for the Fe-Mg-Si system is conducted. All of the experimental phase diagram and thermodynamic data available from the literature are critically reviewed and assessed using thermo dynamic models for the Gibbs energies of individual phases. The thermodynamic parameters for ternary liquid as well as binary phases αFeSi, (high-temperature form of FeSi2 and FeSi showing noticeable solubilities for Mg are evaluated in the optimization. Comparisons between the calculated and measured phase diagrams show that the measured isothermal six-lions at 1600°, 1454°, 727° and 710°C, the observed regions of primary phases are satisfactorily accounted for by the thermodynamic description. The limited thermodynamic data concerning the activity of Mg in liquid at 1350°C are found to be inconsistent with the well established phase relations. The liquidus projection and reaction scheme for the entire Fe-Mg-Si system are also presented. .

  3. Nanostructure evolution in joining of Al and Fe nanoparticles with femtosecond laser irradiation

    International Nuclear Information System (INIS)

    Jiao, Z.; Huang, H.; Zhou, Y.; Liu, L.; Hu, A.; Duley, W.; He, P.

    2014-01-01

    The joining of Al-Fe nanoparticles (NPs) by femtosecond (fs) laser irradiation is reported in this paper. Fe and Al NPs were deposited on a carbon film in vacuum via fs laser ablation. Particles were then exposed to multiple fs laser pulses at fluences between 0.5 and 1.3 mJ/cm 2 . Transmission Electron Microscopy (TEM) and Electron Diffraction X-ray observations indicate that Al and Fe NPs bond to each other under these conditions. For comparison, bonding of Al to Al and Fe to Fe NPs was also investigated. The nanostructure, as observed using TEM, showed that individual Al NPs were monocrystalline while individual Fe NPs were polycrystalline prior to joining and that these structures are retained after the formation of Al-Al and Fe-Fe NPs. Al-Fe NPs produced by fs laser joining exhibited a mixed amorphous and crystalline phase at the interface. Bonding is suggested to originate from intermixing within a region of high field intensity between particles

  4. Porous α-Fe2O3 decorated by Au nanoparticles and their enhanced sensor performance

    Science.gov (United States)

    Liu, Xianghong; Zhang, Jun; Guo, Xianzhi; Wu, Shihua; Wang, Shurong

    2010-03-01

    Porous α-Fe2O3 was synthesized by simple calcination of a β-FeOOH precursor derived from a facile hydrothermal method. In the hydrothermal process, only FeCl3·6H2O was used as the source material and no templates or pore-directing agents were needed. The as-prepared porous α-Fe2O3 was further employed as a support for loading Au nanoparticles (AuNPs). Due to the advantages of porous nanostructures (large surface area and facile gas diffusion) and the catalytic capability of AuNPs, the derived AuNP-supported porous α-Fe2O3 was further investigated for gas sensor applications using ethanol as a probe molecule. Obtained results showed that the AuNP-supported porous α-Fe2O3 exhibited a much higher response in comparison to pure α-Fe2O3. The enhanced sensor properties are attributed to the unique porous structures of the α-Fe2O3 support and active AuNPs for promoting sensing reactions, as well as the synergic electronic interaction between Au and α-Fe2O3. It is expected that noble metals such as Ag, Pt and Pd can also be supported on other porous metal oxide semiconductors to explore superior properties of functional nanomaterials.

  5. Surfactant-induced layered growth in homoepitaxy of Fe on Fe(100)-c(2 x 2)O reconstruction surface

    International Nuclear Information System (INIS)

    Kamiko, Masao; Mizuno, Hiroyuki; Chihaya, Hiroaki; Xu, Junhua; Kojima, Isao; Yamamoto, Ryoichi

    2007-01-01

    In this study, the effects of several surfactants (Pb, Bi, and Ag) on the homoepitaxial growth of Fe(100) were studied and compared. The reflection high-energy electron diffraction measurements clearly reveal that these surfactants enhance the layer-by-layer growth of Fe on an Fe(100)-c(2 x 2)O reconstruction surface. The dependence of growth on the surfactant layer thickness suggests that there exists a suitable amount of surfactant layer that induces a smoother layer-by-layer growth. Comparisons between the atomic force microscopy images reveal that the root-mean-square surface roughness of Fe films mediated by Pb and Bi surfactants are considerably smaller than those of the films mediated by Ag surfactant. The Auger electron spectra show that Pb and Bi segregate at the top of the surface. It has been concluded that Pb and Bi are effective surfactants for enhancing layer-by-layer growth in Fe homoepitaxy. Ag has the same effect, but it is less efficient due to the weak surface segregation of Ag

  6. Martensitic transformation, fcc and hcp relative phase stability, and thermal cycling effects in Fe-Mn and Fe-Mn-X Alloys (X = Si, Co)

    International Nuclear Information System (INIS)

    Baruj, Alberto

    1999-01-01

    In this Thesis we present a study of the fcc and hcp relative phase stability in the Fe-Mn and Fe-Mn-Co systems. In particular, we have investigated the effect of two main factors affecting the relative phase stability: changes in the chemical composition of the alloys and changes in the density of crystalline defects in the microstructure.In order to analyse the effect of chemical composition, we have performed an experimental study of the fcc/hcp martensitic transformation temperatures in Fe-Mn-Co alloys in the composition range lying between 15% and 34% Mn, and between 1% and 16% Co.We have measured the martensitic transformation temperatures by means of dilatometry and electrical resistivity.We have combined this information with measurements of the fcc/hcp martensitic transformation temperatures in Co-rich alloys to perform a modelling of the Gibbs energy function for the hcp phase in the Fe-Mn-Co and Fe-Co systems.We found that, for alloys in the Mn range between 17% and 25%, Co additions tend to stabilise slightly the fcc phase.In the alloys with Mn contents below that range, increasing the amount of Co stabilise the bcc phase. In alloys with Mn contents above 25% the Neel temperature is depressed by the addition of Co, which stabilise the hcp phase.In order to investigate the effect of changes in the density of crystalline defects, we have performed thermal cycling experiments through the fcc/hcp martensitic transformation in Fe-Mn, Fe-Mn-Co and Fe-Mn-Si alloys.We have applied the thermodynamic description obtained before in order to analyse these experiments.We found in the thermal cycling experiments a first stage where the martensitic transformation is promoted.This stage occurs in all the studied alloys during the first cycle or the two first cycles.Increasing the number of thermal cycles, the promotion stage is replaced by an inhibition of the transformation stage.We propose a possible microstructural interpretation of these phenomena where the plastic

  7. Study on the keV neutron capture reaction in 56Fe and 57Fe

    Science.gov (United States)

    Wang, Taofeng; Lee, Manwoo; Kim, Guinyun; Ro, Tae-Ik; Kang, Yeong-Rok; Igashira, Masayuki; Katabuchi, Tatsuya

    2014-03-01

    The neutron capture cross-sections and the radiative capture gamma-ray spectra from the broad resonances of 56Fe and 57Fe in the neutron energy range from 10 to 90keV and 550keV have been measured with an anti-Compton NaI(Tl) detector. Pulsed keV neutrons were produced from the 7Li 7Be reaction by bombarding the lithium target with the 1.5ns bunched proton beam from the 3MV Pelletron accelerator. The incident neutron spectrum on a capture sample was measured by means of a time-of-flight (TOF) method with a 6Li -glass detector. The number of weighted capture counts of the iron or gold sample was obtained by applying a pulse height weighting technique to the corresponding capture gamma-ray pulse height spectrum. The neutron capture gamma-ray spectra were obtained by unfolding the observed capture gamma-ray pulse height spectra. To achieve further understanding on the mechanism of neutron radiative capture reaction and study on physics models, theoretical calculations of the -ray spectra for 56Fe and 57Fe with the POD program have been performed by applying the Hauser-Feshbach statistical model. The dominant ingredients to perform the statistical calculation were the Optical Model Potential (OMP), the level densities described by the Mengoni-Nakajima approach, and the -ray transmission coefficients described by -ray strength functions. The comparison of the theoretical calculations, performed only for the 550keV point, show a good agreement with the present experimental results.

  8. V-insertion in Li(Fe,Mn)FePO4

    Science.gov (United States)

    Wu, T.; Liu, J.; Sun, L.; Cong, L.; Xie, H.; Abdel-Ghany, A.; Mauger, A.; Julien, C. M.

    2018-04-01

    Insertion of 3% vanadium in LiMn1-yFeyPO4 has been investigated, with y = 0.2 corresponding to the highest manganese concentration before the stress/strain field degrades the electrochemical performance. V substitutes for Fe2+ in the trivalent state V3+. This substitution is accompanied with the formation of Fe vacancies while Mn remains in the Mn2+ valence state, leading to a composition LiMn0.8Fe0.2-0.045V0.03□0.015PO4 where □ is a Fe vacancy. The comparison between electrochemical properties of a pristine sample and a sample with 3 mol.% vanadium made of particles with the same morphology (spherical particles with the same dispersion 100-150 nm in size) and same carbon coating (same conductivity of the carbon layer) is reported. Although the vanadium is in the V3+ state at open circuit voltage (2.6 V) before cycling, a reversible V3+/V2+ is observed when the potential of the half-cell is lowered below the redox potential of 1.8 V vs Li+/Li, due to Li-vacancies. The V-insertion improves the electrochemical properties, due to a synergetic effect of an increase of the lithium diffusion coefficient by a factor two and an increase of the electric conductivity at any Li-concentration during the cycling process, in contradiction with prior claims that attributed the increase of conductivity to V-based impurities.

  9. CoFeRh alloys

    Energy Technology Data Exchange (ETDEWEB)

    Tabakovic, Ibro [Seagate Technology, Research and Development, Bloomington, MN 55435 (United States)], E-mail: ibro.m.tabakovic@seagate.com; Qiu Jiaoming; Riemer, Steve; Sun Ming; Vas' ko, Vlad; Kief, Mark [Seagate Technology, Research and Development, Bloomington, MN 55435 (United States)

    2008-01-01

    The electrochemical behavior of Rh(III) species in CoFe solution containing RhCl{sub 3}, NH{sub 4}Cl, H{sub 3}BO{sub 3}, CoSO{sub 4}, FeSO{sub 4}, saccharin, and NaLS (Na lauryl sulfate) has been investigated. The electrochemistry of Rh(III) species is influenced by each of the compounds present in CoFe plating solution, but especially by addition of saccharin and H{sub 3}BO{sub 3} to the RhCl{sub 3}-NH{sub 4}Cl solution. The nucleation and growth of Rh on GC (glassy carbon), Ru, and Cu electrodes from NH{sub 4}Cl solution was studied using the potentiostatic current-transient methods. The results support a predominantly progressive nucleation of Rh on all three-electrode surfaces. The nucleation kinetic parameters ANo (steady state nucleation rate) and Ns (saturation nuclear number density) were found to vary with potential and are electrode-dependent in order: GC > Ru{approx}Cu. The electrodeposited Rh films obtained from NH{sub 4}Cl solution and nonmagnetic CoFeRh film obtained from CoFe solution were characterized in terms of the following properties: morphology, surface roughness, crystal structure and chemical composition. The origin of light elements found in Rh and CoFeRh films (O, Cl, S, C, N) was discussed.

  10. CoFeRh alloys

    International Nuclear Information System (INIS)

    Tabakovic, Ibro; Qiu Jiaoming; Riemer, Steve; Sun Ming; Vas'ko, Vlad; Kief, Mark

    2008-01-01

    The electrochemical behavior of Rh(III) species in CoFe solution containing RhCl 3 , NH 4 Cl, H 3 BO 3 , CoSO 4 , FeSO 4 , saccharin, and NaLS (Na lauryl sulfate) has been investigated. The electrochemistry of Rh(III) species is influenced by each of the compounds present in CoFe plating solution, but especially by addition of saccharin and H 3 BO 3 to the RhCl 3 -NH 4 Cl solution. The nucleation and growth of Rh on GC (glassy carbon), Ru, and Cu electrodes from NH 4 Cl solution was studied using the potentiostatic current-transient methods. The results support a predominantly progressive nucleation of Rh on all three-electrode surfaces. The nucleation kinetic parameters ANo (steady state nucleation rate) and Ns (saturation nuclear number density) were found to vary with potential and are electrode-dependent in order: GC > Ru∼Cu. The electrodeposited Rh films obtained from NH 4 Cl solution and nonmagnetic CoFeRh film obtained from CoFe solution were characterized in terms of the following properties: morphology, surface roughness, crystal structure and chemical composition. The origin of light elements found in Rh and CoFeRh films (O, Cl, S, C, N) was discussed

  11. Size dependent structural, vibrational and magnetic properties of BiFeO{sub 3} and core-shell structured BiFeO{sub 3}@SiO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Chauhan, Sunil, E-mail: sunilchauhanjiit@gmail.com; Kumar, Manoj, E-mail: sunilchauhanjiit@gmail.com; Chhoker, Sandeep, E-mail: sunilchauhanjiit@gmail.com; Katyal, S. C., E-mail: sunilchauhanjiit@gmail.com [Department of Physics and Materials Science and Engineering, Jaypee Institute of Information Technology, Noida- 201307 (India)

    2014-04-24

    Bulk BiFeO{sub 3}, BiFeO{sub 3} nanoparticles and core-shell structured BiFeO{sub 3}@SiO{sub 2} nanoparticles were synthesized by solid state reaction method, sol-gel and Stöber process (SiO{sub 2} shell) respectively. Transmission electron microscopy image confirmed the core-shell structure of BiFeO{sub 3}@SiO{sub 2} nanoparticles with BiFeO3 core ∼50-90 nm and SiO{sub 2} shell ∼16 nm. X-ray diffraction and FTIR spectroscopy results showed the presence of distorted rhombohedral structure with R3c space group in all three samples. The magnetic measurement indicated the existence of room-temperature weak ferromagnetism in core-shell BiFeO{sub 3}@SiO{sub 2} nanoparticles and BiFeO3 nanoparticles, whereas bulk BiFeO{sub 3} showed antiferromagnteic nature. Electron Spin Resonance results confirmed the enhancement in magnetic properties of coreshell structured BiFeO{sub 3}@SiO{sub 2} nanoparticles in comparison with BiFeO{sub 3} nanoparticles and bulk BiFeO{sub 3}.

  12. Exchange-mediated spin-lattice relaxation of Fe3+ ions in borate glasses.

    Science.gov (United States)

    Misra, Sushil K; Pilbrow, John R

    2007-03-01

    Spin-lattice relaxation times (T1) of two borate glasses doped with different concentrations of Fe2O3 were measured using the Electron Spin-Echo (ESE) technique at X-band (9.630 GHz) in the temperature range 2-6K. In comparison with a previous investigation of Fe3+-doped silicate glasses, the relaxation rates were comparable and differed by no more than a factor of two. The data presented here extend those previously reported for borate glasses in the 10-250K range but measured using the amplitude-modulation technique. The T1 values were found to depend on temperature (T) as T(n) with n approximately 1 for the 1% and 0.1% Fe2O3-doped glass samples. These results are consistent with spin-lattice relaxation as effected by exchange interaction of a Fe3+ spin exchange-coupled to another Fe3+ spin in an amorphous material.

  13. Morphology, magnetic and resonance properties of Fe/MgO multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Garcia, A; Algarabel, P A; Ibarra, M R [Instituto de Ciencia de Materiales de Aragon, Universidad de Zaragoza-CSIC 50009 Zaragoza (Spain); Vovk, A [Centro de Fisica da Materia Condensada Unversidade de Lisboa, Campo Grande Ed. C8, 1749-016, Lisboa (Portugal); Strichovanec, P; Pardo, J A; Magen, C [Instituto de Nanociencia de Aragon, Universidad de Zaragoza 50018 Zaragoza (Spain); Golub, V; Salyuk, O, E-mail: ayvovk@fc.ul.pt [Institute of Magnetism NAS of Ukraine, 36-b Vernnadsky blvd., 03142, Kyiv (Ukraine)

    2011-07-06

    Magnetic, resonance and transport properties of Fe(t nm)/MgO(3.0 nm) multilayers prepared by pulsed laser deposition were investigated. Comparison of the data allows conclusions on Fe layers morphology. For t<0.61 nm typical features of granular cermet films in dielectric regime are observed, i.e. high electrical resistance, isotropic magnetoresistance and strong temperature dependence of magnetization. For higher t coalescence of Fe granules occurs and metallic percolation cluster is formed at t{approx}0.81 nm. This is manifested by rapid decrease of films resistance and formation of multipeak ferromagnetic resonance spectra. For t>1.25 nm a continuous coverage of MgO by Fe takes place. However, the morphology of Fe layers is rough. This causes the appearance of magnetostatic resonance modes analogous to those observed for continuous films deposited on embossed surfaces.

  14. FeO "Orange Arc" Emission Detected in Optical Spectrum of Leonid Persistent Trains

    Science.gov (United States)

    Jenniskens, Peter; Lacey, Matt; Allan, Beverly J.; Self, Daniel E.; Plane, John M. C.; DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    We report the detection of a broad continuum emission dominating the visual spectrum of a Leonid persistent train. A comparison with laboratory spectra of FeO 1 "orange arc" emission at I mbar shows a general agreement of the band position and shape. The detection of FeO confirms the classical mechanism of metal atom catalyzed recombination of ozone and oxygen atoms as the driving force behind optical emission from persistent trains. Sodium and iron atoms are now confirmed catalysts.

  15. Unresolved dielectronic satellites of the resonance line of heliumlike iron (Fe XXV)

    International Nuclear Information System (INIS)

    Bitter, M.; von Goeler, S.; Hill, K.W.; Horton, R.; Johnson, D.; Roney, W.; Sauthoff, N.; Silver, E.; Stodiek, W.

    1981-02-01

    (1s 2 nl - 1s2pnl, n greater than or equal to 3) dielectronic satellites of the resonance line of Fe XXV at 1.85 A have been observed from PLT (Princeton Large Torus) tokamak discharges and are used for a detailed comparison with theory. The necessary corrections for Doppler broadening measurements are discussed, and accurate satellite to resonance line ratios allowing for a determination of the total dielectronic recombination rate of Fe XXV are derived

  16. Steam reforming of ethanol over Co3O4–Fe2O3 mixed oxides

    KAUST Repository

    Abdelkader, A.

    2013-05-03

    Co3O4, Fe2O3 and a mixture of the two oxides Co-Fe (molar ratio of Co3O4/Fe 2O3 = 0.67 and atomic ratio of Co/Fe = 1) were prepared by the calcination of cobalt oxalate and/or iron oxalate salts at 500 C for 2 h in static air using water as a solvent/dispersing agent. The catalysts were studied in the steam reforming of ethanol to investigate the effect of the partial substitution of Co3O4 with Fe2O 3 on the catalytic behaviour. The reforming activity over Fe 2O3, while initially high, underwent fast deactivation. In comparison, over the Co-Fe catalyst both the H2 yield and stability were higher than that found over the pure Co3O4 or Fe 2O3 catalysts. DRIFTS-MS studies under the reaction feed highlighted that the Co-Fe catalyst had increased amounts of adsorbed OH/water; similar to Fe2O3. Increasing the amount of reactive species (water/OH species) adsorbed on the Co-Fe catalyst surface is proposed to facilitate the steam reforming reaction rather than decomposition reactions reducing by-product formation and providing a higher H2 yield. © Copyright © 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

  17. Variations of 57Fe hyperfine parameters in medicaments containing ferrous fumarate and ferrous sulfate

    International Nuclear Information System (INIS)

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

    2010-01-01

    Several commercially available medicaments containing ferrous fumarate (FeC 4 H 2 O 4 ) and ferrous sulfate (FeSO 4 ), as a source of ferrous iron, were studied using a high velocity resolution Mössbauer spectroscopy. A comparison of the 57 Fe hyperfine parameters revealed small variations for the main components in both medicaments indicating some differences in the ferrous fumarates and ferrous sulfates. It was also found that all spectra contained additional minor components probably related to ferrous and ferric impurities or to partially modified main components.

  18. Variations of {sup 57}Fe hyperfine parameters in medicaments containing ferrous fumarate and ferrous sulfate

    Energy Technology Data Exchange (ETDEWEB)

    Oshtrakh, M. I., E-mail: oshtrakh@mail.utnet.ru; Novikov, E. G. [Ural Federal University (The former Ural State Technical University-UPI), Faculty of Physical Techniques and Devices for Quality Control (Russian Federation); Dubiel, S. M. [AGH University of Science and Technology, Faculty of Physics and Computer Science (Poland); Semionkin, V. A. [Ural Federal University (The former Ural State Technical University-UPI), Faculty of Physical Techniques and Devices for Quality Control (Russian Federation)

    2010-04-15

    Several commercially available medicaments containing ferrous fumarate (FeC{sub 4}H{sub 2}O{sub 4}) and ferrous sulfate (FeSO{sub 4}), as a source of ferrous iron, were studied using a high velocity resolution Moessbauer spectroscopy. A comparison of the {sup 57}Fe hyperfine parameters revealed small variations for the main components in both medicaments indicating some differences in the ferrous fumarates and ferrous sulfates. It was also found that all spectra contained additional minor components probably related to ferrous and ferric impurities or to partially modified main components.

  19. Equilibrium Fe isotope fractionation between inorganic aqueous Fe(III) and the siderophore complex, Fe(III)-desferrioxamine B

    DEFF Research Database (Denmark)

    Dideriksen, Knud; Baker, Joel A.; Stipp, Susan Louise Svane

    2008-01-01

    In oxic oceans, most of the dissolved iron (Fe) exists as complexes with siderophore-like, strongly coordinating organic ligands. Thus, the isotope composition of the little amount of free inorganic Fe that is available for precipitation and preservation in the geological record may largely...... be controlled by isotope fractionation between the free and complexed iron.We have determined the equilibrium Fe isotope fractionation induced by organic ligand activity in experiments with solutions having co-existing inorganic Fe(III) species and siderophore complexes, Fedesferrioxamine B (at pH 2). The two...... differently complexed Fe(III) pools were separated by addition of Na2CO3, which led to immediate precipitation of the inorganic Fe without causing significant dissociation of Fe-desferrioxamine complexes. Experiments using enriched 57Fe tracer showed that isotopic equilibration between the 57Fe...

  20. The Moessbauer effect in Fe(III) HEDTA, Fe(III) EDTA, and Fe(III) CDTA compounds

    International Nuclear Information System (INIS)

    Prado, F.R.

    1989-01-01

    The dependence of Moessbauer spectra with pH value of Fe(III)HEDTA and Fe(III)CDTA compounds is studied. Informations on formation processes of LFe-O-FeL (L=ligand) type dimers by the relation of titration curves of Fe(III)EDTA, Fe(III)HEDTA and Fe(III)CDTA compounds with the series of Moessbauer spectra, are obtained. Some informations on Fe-O-Fe bond structure are also obtained. Comparing the titration curves with the series of Moessbauer spectra, it is concluded that the dimerization process begins when a specie of the form FeXOH α (X = EDTA, HEDTA, CDTA; α = -1, -2) arises. (M.C.K.) [pt

  1. MIL-100-Fe derived N-doped Fe/Fe3C@C electrocatalysts for efficient oxygen reduction reaction

    Science.gov (United States)

    Guo, Dakai; Han, Sancan; Wang, Jiacheng; Zhu, Yufang

    2018-03-01

    N-doped porous Fe/Fe3C@C electrocatalysts were prepared by the pyrolysis of the hexamethylenetetramine (HMT)-incorporated MIL-100-Fe at different temperatures (700-1000 °C) under N2 atmosphere. Rotary evaporation of MIL-100-Fe and HMT solution could make more N-enriched HMT molecules enter into the pores of MIL-100-Fe, thus improving nitrogen contents of the final pyrolyzed samples. All pyrolyzed samples show porous textures with middle specific surface areas. The X-ray photoelectron spectroscopy (XPS) results demonstrate the successful introduction of N atoms into carbon framework. Sample Fe-N2-800 prepared by annealing the precursors with the HMT/MIL-100-Fe weight ratio of 2 at 800 °C exhibits the best electrocatalytic activity towards the oxygen reduction reaction (ORR) in terms of onset potential and current density because of high graphitic N and pyridinic N content. The enwrapped Fe/Fe3C nanoparticles and Fe-Nx active sites in these samples could also boost the ORR activity synergistically. Moreover, sample Fe-N2-800 demonstrates a dominant four electron reduction process, as well as excellent long-term operation stability and methanol crossover resistance. Thus, the N-doped Fe/Fe3C@C composites derived from the HMT-incorporated MIL-100-Fe are promising electrocatalysts to replace Pt/C for ORR in practical applications.

  2. Analysis of X-ray adsorption edges: L2,3 edge of FeCl4-

    Science.gov (United States)

    Bagus, Paul S.; Nelin, Connie J.; Ilton, Eugene S.; Sassi, Michel J.; Rosso, Kevin M.

    2017-12-01

    We describe a detailed analysis of the features of the X-ray adsorption spectra at the Fe L2,3 edge of FeCl4-. The objective of this analysis is to explain the origin of the complex features in relation to properties of the wavefunctions, especially for the excited states. These properties include spin-orbit and ligand field splittings where a novel aspect of the dipole selection rules is applied to understand the influence of these splittings on the spectra. We also explicitly take account of the intermediate coupling of the open core and valence shell electrons. Our analysis also includes comparison of theory and experiment for the Fe L2,3 edge and comparison of theoretical predictions for the Fe3+ cation and FeCl4-. The electronic structure is obtained from theoretical wavefunctions for the ground and excited states.

  3. Ligand-controlled Fe mobilization catalyzed by adsorbed Fe(II) on Fe(hydr)oxides

    Science.gov (United States)

    Kang, Kyounglim; Biswakarma, Jagannath; Borowski, Susan C.; Hug, Stephan J.; Hering, Janet G.; Schenkeveld, Walter D. C.; Kraemer, Stephan M.

    2017-04-01

    Dissolution of Fe(hydr)oxides is a key process in biological iron acquisition. Due to the low solubility of iron oxides in environments with a circumneutral pH, organisms may exude organic compounds catalyzing iron mobilization by reductive and ligand controlled dissolution mechanisms. Recently, we have shown synergistic effects between reductive dissolution and ligand-controlled dissolution that may operate in biological iron acquisition. The synergistic effects were observed in Fe mobilization from single goethite suspensions as well as in suspensions containing calcareous soil[1],[2]. However, how the redox reaction accelerates Fe(hydr)oxide dissolution by ligands is not studied intensively. In our study, we hypothesized that electron transfer to structural Fe(III) labilizes the Fe(hydr)oxide structure, and that this can accelerate ligand controlled dissolution. Systematical batch dissolution experiments were carried out under anoxic conditions at environmentally relevant pH values in which various Fe(hydr)oxides (goethite, hematite, lepidocrocite) interacted with two different types of ligand (desferrioxamine B (DFOB) and N,N'-Di(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid monohydrochloride (HBED)). Electron transfer to the structure was induced by adsorbing Fe(II) to the mineral surface at various Fe(II) concentrations. Our results show a distinct catalytic effect of adsorbed Fe(II) on ligand controlled dissolution, even at submicromolar Fe(II) concentrations. We observed the effect for a range of iron oxides, but it was strongest in lepidocrocite, most likely due to anisotropy in conductivity leading to higher near-surface concentration of reduced iron. Our results demonstrate that the catalytic effect of reductive processes on ligand controlled dissolution require a very low degree of reduction making this an efficient process for biological iron acquisition and a potentially important effect in natural iron cycling. References 1. Wang, Z. M

  4. Nano-stuctured Pt-Fe/C as cathode catalyst in direct methanol fuel cell

    International Nuclear Information System (INIS)

    Li Wenzhen; Zhou Weijiang; Li Huanqiao; Zhou Zhenhua; Zhou Bing; Sun Gongquan; Xin Qin

    2004-01-01

    Pt-Fe/C catalysts were prepared by a modified polyol synthesis method in an ethylene glycol (EG) solution, and then were heat-treated under H 2 /Ar (10 vol.%) at moderate temperature (300 deg. C, Pt-Fe/C300) or high temperature (900 deg. C, Pt-Fe/C900). As comparison, Pt-Fe/C alloy catalyst was prepared by a two-step method (Pt-Fe/C900B). X-ray diffraction (XRD) and transmission electron microscopy (TEM) images show that particles size of the catalyst increases with the increase of treatment temperatures. Pt-Fe/C300 catalyst has a mean particle size of 2.8 nm (XRD), 3.6 nm (TEM) and some Pt-Fe alloy was partly formed in this sample. Pt-Fe/C900B catalyst has the biggest particle size of 6.2 nm (XRD) and the best Pt-Fe alloy form. Cyclicvoltammetry (CV) shows that Pt-Fe/C300 has larger electrochemical surface area than other Pt-Fe/C and the highest utilization ratio of 76% among these Pt-based catalysts. Rotating disk electrode (RDE) cathodic curves show that Pt-Fe/C300 has the highest oxygen reduction reaction (ORR) mass activity (MA) and specific activity (SA), as compared with Pt/C catalyst in 1.0 M HClO 4 . However, Pt-Fe/C catalyst does not appears to be a more active catalyst than Pt/C for ORR in 1.0 M HClO 4 + 0.1 M CH 3 OH. Pt-Fe/C300 exhibits higher ORR activity and better performance than other Pt-Fe/C or Pt/C catalysts when employed for cathode in direct methanol single cell test, the enhancement of the cell performance is logically attributed to its higher ORR activity, which is probably attributed to more Pt 0 species existing and Fe ion corrosion from the catalyst

  5. A study of the Fe-based superconductor SmFeAsO{sub 1-x}F{sub x} by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Y; Chen, Y L; Cui, Y J; Cheng, C H; Zhao, Y [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Zhang, H [Department of Physics, Peking University, Beijing 100871 (China)], E-mail: yzhao@swjtu.edu.cn

    2009-01-15

    The electronic structure of the Fe-based superconductor SmFeAsO{sub 1-x}F{sub x} (x = 0 and 0.2) is studied with x-ray photoemission spectroscopy (XPS) through comparing the band structures of the nonsuperconducting parent material SmFeAsO and the superconducting SmFeAsO{sub 0.8}F{sub 0.2} (T{sub c} = 52.5 K). A small peak centered at 0.2 eV below the Fermi level, E{sub F}, in the valence band is observed in the parent material SmFeAsO, which is due to the low-spin state of the Fe 3d electrons. With fluorine doping, the peak at 0.2 eV disappears and a broad plateau forms near the Fermi level; in the meantime, the density of states at E{sub F} is slightly suppressed. The O 1s and Sm 3d core levels shift towards high energy by {approx}0.55 eV with fluorine doping, but in a sharp comparison, the Fe 2p and As 3d core levels do not shift significantly (the binding energy shift is less than 0.01 eV). It is deduced from the core-level shifts that the Fermi level of the system moves up by 0.55 eV by fluorine doping.

  6. Strong 3D and 1D magnetism in hexagonal Fe-chalcogenides FeS and FeSe vs. weak magnetism in hexagonal FeTe

    Energy Technology Data Exchange (ETDEWEB)

    Parker, David S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-06-13

    We present a comparative theoretical study of the hexagonal forms of the Fe-chalcogenides FeS, FeSe and FeTe with their better known tetragonal forms. While the tetragonal forms exhibit only an incipient antiferromagnetism and experimentally show superconductivity when doped, the hexagonal forms of FeS and FeSe display a robust magnetism. We show that this strong magnetism arises from a van Hove singularity associated with the direct Fe-Fe c-axis chains in the generally more three-dimensional NiAs structure. We also find that hexagonal FeTe is much less magnetic than the other two hexagonal materials, so that unconventional magnetically-mediated superconductivity is possible, although a large Tc value is unlikely.

  7. Strong 3D and 1D magnetism in hexagonal Fe-chalcogenides FeS and FeSe vs. weak magnetism in hexagonal FeTe.

    Science.gov (United States)

    Parker, David S

    2017-06-13

    We present a comparative theoretical study of the hexagonal forms of the Fe-chalcogenides FeS, FeSe and FeTe with their better known tetragonal forms. While the tetragonal forms exhibit only an incipient antiferromagnetism and experimentally show superconductivity when doped, the hexagonal forms of FeS and FeSe display a robust magnetism. We show that this strong magnetism arises from a van Hove singularity associated with the direct Fe-Fe c-axis chains in the generally more three-dimensional NiAs structure. We also find that hexagonal FeTe is much less magnetic than the other two hexagonal materials, so that unconventional magnetically-mediated superconductivity is possible, although a large T c value is unlikely.

  8. Thermal Characteristics of Conversion-Type FeOF Cathode in Li-ion Batteries

    Directory of Open Access Journals (Sweden)

    Liwei Zhao

    2017-10-01

    Full Text Available Rutile FeOF was used as a conversion-type cathode material for Li-ion batteries. In the present study, 0.6Li, 1.4Li, and 2.7Li per mole lithiation reactions were carried out by changing the electrochemical discharge reaction depth. The thermal characteristics of the FeOF cathode were investigated by thermogravimetric mass spectrometric (TG-MS and differential scanning calorimeter (DSC systems. No remarkable HF release was detected, even up to 700 °C, which indicated a low toxic risk for the FeOF cathode. Changes in the thermal properties of the FeOF cathode via different conversion reaction depths in the associated electrolyte were studied by changing the cathode/electrolyte ratio in the mixture. LiFeOF was found to exothermically react with the electrolyte at about 210 °C. Similar exothermic reactions were found with charged FeOF cathodes because of the irreversible Li ions. Among the products of the conversion reaction of FeOF, Li2O was found to exothermically react with the electrolyte at about 120 °C, which induced the main thermal risk of the FeOF cathode. It suggests that the oxygen-containing conversion-type cathodes have a higher thermal risk than the oxygen-free ones, but controlling the cathode/electrolyte ratio in cells successfully reduced the thermal risk. Finally, the thermal stability of the FeOF cathode was evaluated in comparison with FeF3 and LiFePO4 cathodes.

  9. Mössbauer spectroscopy study of magnetic fluctuations in superconducting RbGd2Fe4As4O2

    Science.gov (United States)

    Li, Y.; Wang, Z. C.; Cao, G. H.; Zhang, J. M.; Zhang, B.; Wang, T.; Pang, H.; Li, F. S.; Li, Z. W.

    2018-05-01

    57Fe Mössbauer spectra were measured at different temperatures between 5.9 K and 300 K on the recently discovered self-doped superconducting RbGd2Fe4As4O2 with Tc as high as 35 K. Singlet pattern was observed down to the lowest temperature measured in this work, indicating the absence of static magnetic order on the Fe site. The intermediate isomer shift in comparison with that of the samples RbFe2As2 and GdFeAsO confirms the self doping induced local electronic structure change. Surprisingly, we observe two magnetic fluctuation induced spectral broadenings below ∼ 15 K and ∼ 100 K which are believed to be originated from the transferred magnetic fluctuations of the Gd3+ moments and that of the magnetic fluctuations of the Fe atoms, respectively.

  10. Thermoelectric properties of Ni0.15Co3.85Sb12 and Fe0.2Ni0.15Co3.65Sb12 skutterudites prepared by HPHT method

    Directory of Open Access Journals (Sweden)

    Kong Lingjiao

    2017-10-01

    Full Text Available N-type polycrystalline skutterudite compounds Ni0.15Co3.85Sb12 and Fe0.2Ni0.15Co3.65Sb12 with the bcc crystal structure were synthesized by high pressure and high temperature (HPHT method. The synthesis time was sharply reduced to approximately half an hour. Typical microstructures connected with lattice deformations and dislocations were incorporated in the samples of Ni0.15Co3.85Sb12 and Fe0.2Ni0.15Co3.65Sb12 after HPHT. Electrical and thermal transport properties were meticulously researched in the temperature range of 300 K to 700 K. The Fe0.2Ni0.15Co3.65Sb12 sample shows a lower thermal conductivity than that of Ni0.15Co3.85Sb12. The dimensionless thermoelectric figure-of-merit (zT reaches the maximal values of 0.52 and 0.35 at 600 K and 700 K respectively, for Ni0.15Co3.85Sb12 and Fe0.2Ni0.15Co3.65Sb12 samples synthesized at 1 GPa.

  11. Influence of an Fe cap layer on the structural and magnetic properties of Fe49Pt51/Fe bi-layers

    International Nuclear Information System (INIS)

    Chao-Yang, Duan; Bin, Ma; Zong-Zhi, Zhang; Qing-Yuan, Jin; Fu-Lin, Wei

    2009-01-01

    The influences of an Fe cap layer on the structural and magnetic properties of FePt/Fe bi-layers are investigated. Compared with single FePt alloy films, a thin Fe layer can affect the crystalline orientation and improve the chemical ordering of L1 0 FePt films. Moreover, the coercivity increases when a thin Fe layer covers the FePt layer. Beyond a critical thickness, however, the Fe cover layer quickens the magnetization reversal of Fe 49 Pt 51 /Fe bi-layers by their exchange coupling

  12. Microstructure and magnetic properties of nanostructured (Fe{sub 0.8}Al{sub 0.2}){sub 100–x}Si{sub x} alloy produced by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Boukherroub, N. [UR-MPE, M' hamed Bougara University, Boumerdes 35000 (Algeria); Guittoum, A., E-mail: aguittoum@gmail.com [Nuclear Research Centre of Algiers, 02 Bd Frantz Fanon, BP 399 Alger-Gare, Algiers (Algeria); Laggoun, A. [UR-MPE, M' hamed Bougara University, Boumerdes 35000 (Algeria); Hemmous, M. [Nuclear Research Centre of Algiers, 02 Bd Frantz Fanon, BP 399 Alger-Gare, Algiers (Algeria); Martínez-Blanco, D. [SCTs, University of Oviedo, EPM, 33600 Mieres (Spain); Blanco, J.A. [Department of Physics, University of Oviedo, Calvo Sotelo St., 33007 Oviedo (Spain); Souami, N. [Nuclear Research Centre of Algiers, 02 Bd Frantz Fanon, BP 399 Alger-Gare, Algiers (Algeria); Gorria, P. [Department of Physics and IUTA, EPI, University of Oviedo, 33203 Gijón (Spain); Bourzami, A. [Laboratoire d' Etudes des Surfaces et Interfaces des Matériaux Solides (LESIMS), Université Sétif1, 19000 Sétif (Algeria); Lenoble, O. [Institut Jean Lamour, CNRS-Université de Lorraine, Boulevard des aiguillettes, BP 70239, F-54506 Vandoeuvre lès Nancy (France)

    2015-07-01

    We report on how the microstructure and the silicon content of nanocrystalline ternary (Fe{sub 0.8}Al{sub 0.2}){sub 100–x}Si{sub x} powders (x=0, 5, 10, 15 and 20 at%) elaborated by high energy ball milling affect the magnetic properties of these alloys. The formation of a single-phase alloy with body centred cubic (bcc) crystal structure is completed after 72 h of milling time for all the compositions. This bcc phase is in fact a disordered Fe(Al,Si) solid solution with a lattice parameter that reduces its value almost linearly as the Si content is increased, from about 2.9 Å in the binary Fe{sub 80}Al{sub 20} alloy to 2.85 Å in the powder with x=20. The average nanocrystalline grain size also decreases linearly down to 10 nm for x=20, being roughly half of the value for the binary alloy, while the microstrain is somewhat enlarged. Mössbauer spectra show a sextet thus suggesting that the disordered Fe(Al,Si) solid solution is ferromagnetic at room temperature. However, the average hyperfine field diminishes from 27 T (x=0) to 16 T (x=20), and a paramagnetic doublet is observed for the powders with higher Si content. These results together with the evolution of both the saturation magnetization and the coercive field are discussed in terms of intrinsic and extrinsic properties. - Highlights: • Single-phase nanocrystalline (Fe{sub 0.8}Al{sub 0.2}){sub 100–x}Si{sub x} (x=0, 5, 10, 15 and 20 at%) powders were successfully fabricated by mechanical alloying for a milling time of 72 h. • The insertion of Si atoms leads to a unit-cell contraction and a decrease in the average crystallite size. • The hyperfine and magnetic properties of (Fe{sub 0.8}Al{sub 0.2}){sub 100–x}Si{sub x} were influenced by the Si content.

  13. Effect of external magnetic field on valence-electron structures of Fe and Ni in Invar, Permalloy and the other Fe-Ni alloys by using Kβ-to-Kα X-ray intensity ratios.

    Science.gov (United States)

    Alım, Bünyamin; Han, İbrahim; Demir, Lütfü

    2016-06-01

    The effect of external magnetic field on the valence-electron structures of Fe and Ni in various Fe-Ni alloy compositions was investigated by using X-ray fluorescence spectroscopy. Firstly, Kβ-to-Kα X-ray intensity ratios of Fe and Ni in Invar (Fe0.64Ni0.36), Permalloy (Fe0.20Ni0.80) and FexNi1-x (x=0, 0.40, 0.52, 0.55, 0.61, and 1) alloys were measured without any magnetic field and under 0.5 and 1T external magnetic fields, separately. Later, the valence-electron structures of Fe and Ni in both pure form and alloys were obtained by comparison of measured X-ray intensity ratios with the results of multi-configurations Dirac-Fock (MCDF) calculations. The results obtained for valence-electron structures of Fe and Ni in various Fe-Ni alloys were evaluated in terms of magnetic field effect, delocalization and/or charge transfer phenomena. The results have shown that valence electron structure of Fe and Ni in Fe-Ni alloys are dependent on both external magnetic field and concentration of alloy elements. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Microstructure evolution and thermal stability of an Fe-based amorphous alloy powder and thermally sprayed coatings

    International Nuclear Information System (INIS)

    Chokethawai, K.; McCartney, D.G.; Shipway, P.H.

    2009-01-01

    High velocity oxy-fuel (HVOF) thermal spraying has been used to produce coatings of an Fe-18.9%Cr-16.1%B-4.0%C-2.8%Si-2.4%Mo-1.9%Mn-1.7%W (in at.%) alloy from a commercially available powder (Nanosteel SHS7170). X-ray diffraction (XRD), differential scanning calorimetry (DSC) and scanning electron microscopy (SEM) were employed to investigate the powder, as-sprayed coatings and annealed coatings which had been heated to temperatures in the range of 550-925 deg. C for times ranging from 60 to 3900 min. Microhardness changes of the coatings were also measured as a function of annealing time and temperature. The powder was found to comprise amorphous and crystalline particles; the former had a maximum diameter of around 22 μm. The coating was composed of splat like regions, arising from rapid solidification of fully molten powder, and near-spherical regions from partially melted powder which had a largely retained its microstructure. The amorphous fraction of the coating was around 50% compared with 18% for the powder. The enthalpies and activation energies for crystallization of the amorphous phase were determined. Crystallization occurred in a two stage process leading to the formation of α-Fe (bcc), Fe 1.1 Cr 0.9 B 0.9 and M 23 C 6 phases. DSC measurements showed that the first stage occurred at 650 deg. C. Annealing the coating gave a hardening response which depended on temperature and time. The as-sprayed coating had a hardness of 9.2 GPa and peak hardnesses of 12.5 and 11.8 GPa were obtained at 650 and 750 deg. C, respectively. With longer annealing times hardness decreased rapidly from the peak.

  15. 57Fe Mossbauer spectroscopy of U6Fe

    International Nuclear Information System (INIS)

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

    1986-04-01

    Samples of U 6 Fe were prepared by arc melting U and enriched 57 Fe. The samples display superconducting transitions which are sensitive to long-term exposure to air. Room temperature spectra of U 6 Fe typically display a majority site A (quadrupole splitting Δ = 0.749(3) mm/s, isomer shift delta = 0.482(6) mm/s relative to Cu) and a minority site B (Δ = 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 0 K less than or equal to T less than or equal to 310 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 6 Fe at T approx. = 170 0 K

  16. Fe3Si surface coating on SiFe steel

    International Nuclear Information System (INIS)

    Schneeweiss, O.; Pizurova, N.; Jiraskova, Y.; Zak, T.; Cornut, B.

    2000-01-01

    Fe 3 Si layers were prepared using chemical vapor deposition of Si on the surface of Go steel and its subsequent heat treatment. The changes in the structure and phase composition after different heat treatment conditions have been analyzed. The coating is characterized by high hardness, good corrosion resistance, high electrical resistivity, and the spin texture which differs from the steel substrate

  17. Fe II emission lines. I - Chromospheric spectra of red giants

    Science.gov (United States)

    Judge, P. G.; Jordan, C.

    1991-01-01

    A 'difference filtering' algorithm developed by Ayers (1979) is used to construct high-quality high-dispersion long-wavelength IUE spectra of three giant stars. Measurements of all the emission lines seen between 2230 and 3100 A are tabulated. The emission spectrum of Fe II is discussed in comparison with other lines whose formation mechanisms are well understood. Systematic changes in the Fe II spectrum are related to the different physical conditions in the three stars, and examples are given of line profiles and ratios which can be used to determine conditions in the outer atomspheres of giants. It is concluded that most of the Fe II emission results from collisional excitation and/or absorption of photospheric photons at optical wavelengths, but some lines are formed by fluorescence, being photoexcited by other strong chromospheric lines. Between 10 and 20 percent of the radiative losses of Fe II arise from 10 eV levels radiatively excited by the strong chromospheric H Ly-alpha line.

  18. Giant magnetoimpedance effect in sputtered single layered NiFe film and meander NiFe/Cu/NiFe film

    International Nuclear Information System (INIS)

    Chen, L.; Zhou, Y.; Lei, C.; Zhou, Z.M.; Ding, W.

    2010-01-01

    Giant magnetoimpedance (GMI) effect on NiFe thin film is very promising due to its application in developing the magnetic field sensors with highly sensitivity and low cost. In this paper, the single layered NiFe thin film and NiFe/Cu/NiFe thin film with a meander structure are prepared by the MEMS technology. The influences of sputtering parameters, film structure and conductor layer width on GMI effect in NiFe single layer and meander NiFe/Cu/NiFe film are investigated. Maximum of the GMI ratio in single layer and sandwich film is 5% and 64%, respectively. The results obtained are useful for developing the high-performance magnetic sensors based on NiFe thin film.

  19. Equilibrium Fe isotope fractionation between inorganic aqueous Fe(III) and the siderophore complex, Fe(III)-desferrioxamine B

    DEFF Research Database (Denmark)

    Dideriksen, Knud; Baker, Joel A.; Stipp, Susan Louise Svane

    2008-01-01

    be controlled by isotope fractionation between the free and complexed iron.We have determined the equilibrium Fe isotope fractionation induced by organic ligand activity in experiments with solutions having co-existing inorganic Fe(III) species and siderophore complexes, Fedesferrioxamine B (at pH 2). The two......-type fractionation during precipitation, this experiment yielded an isotope fractionation factor of a56Fesolution-solid=1.00027. Calculations based on these results indicate that isotopic re-equilibration is unlikely to significantly affect our determined equilibrium Fe isotope fractionation between inorganically...... and organically complexed Fe. To determine the equilibrium Fe isotope fractionation between inorganically and organically bound Fe(III), experiments with variable proportions of inorganic Fe were carried out at 25 °C. Irrespective of the proportion of inorganic Fe, equilibrium fractionation factors were within...

  20. Thermodynamics of Fe(II)Fe(III) oxide systems I. Hydrothermal Fe3O4

    Science.gov (United States)

    Bartel, J.J.; Westrum, E.F.; Haas, J.L.

    1976-01-01

    The heat capacity of a hydrothermally-prepared polycrystalline sample of Fe3O4 was measured from 53 to 350 K, primarily to study the thermophysics of the Verwey transitions. Although the bifurcation of the transition was confirmed, the sample was found to contain traces of manganese. The observed transition temperatures of 117.0 and 123.0 K are 3.7 and 4.2 K higher respectively than those found in pure Fe3O4. Ancillary analytical results are consistent and indicate a stoichiometry of Mn0.008Fe2.992O4 for this material. Characteristics in the transition region are ascribed to dopant effects. ?? 1976.

  1. Spin structure of exchange biased heterostructures. Fe/MnF{sub 2} and Fe/FeF{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Sahoo, B.

    2006-12-18

    In this work, the {sup 57}Fe probe layer technique is used in order to investigate the depth- and temperature-dependent Fe-layer spin structure of exchange biased Fe/MnF{sub 2} and Fe/FeF{sub 2} (pseudo-twinned) antiferromagnetic (AFM) systems by conversion electron Moessbauer spectroscopy (CEMS) and nuclear resonant scattering (NRS) of synchrotron radiation. Two kinds of samples with a 10 A {sup 57}Fe probe layer directly at or 35 A away from the interface, labeled as interface and center sample, respectively, were studied in this work. The results obtained by CEMS for Fe/MnF{sub 2} suggests that, at 80 K, i.e., above T{sub N}=67 K of MnF{sub 2}, the remanent state Fe-layer spin structure of the two studied samples are slightly different due to their different microstructure. In the temperature range from 300 K to 80 K, the Fe-layer spin structure does not change just by zero-field cooling the sample in remanence. For Fe/FeF{sub 2}, a continuous non-monotonic change of the remanent-state Fe spin structure was observed by cooling from 300 K to 18 K. NRS of synchrotron radiation was used to investigate the temperature- and depth-dependent Fe-layer spin structure during magnetization reversal in pseudo-twinned Fe/MnF{sub 2}. A depthdependent Fe spin structure in an applied magnetic field (applied along the bisector of the twin domains) was observed at 10 K, where the Fe spins closer to the interface are not aligned along the field direction. The depth-dependence disappears at 150 K. (orig.)

  2. Self organization of FeGe/FeSi/FeGe layered structures on Ge and their electrical conduction properties

    Science.gov (United States)

    Matsukura, B.; Hiraiwa, Y.; Nakajima, T.; Narumi, K.; Sakai, S.; Sadoh, T.; Miyao, M.; Maeda, Y.

    We have investigated self organization of novel FeGe/FeSi/FeGe layered structures on Ge(111) and their electrical conduction properties. From analyses of compositional change, diffusion dynamics analyses and microstructure observations, it was revealed that the self organization of the layered structures was enhanced by spinodal decomposition which may be induced by pronounced compositional changes associating to inhomogeneous interdiffusion. The electrical conduction showed singular temperature dependence which obviously reflected natureof Kondo insulator FeSi.

  3. State of art in FE-based fuel performance codes

    International Nuclear Information System (INIS)

    Kim, Hyo Chan; Yang, Yong Sik; Kim, Dae Ho; Bang, Je Geon; Kim, Sun Ki; Koo, Yang Hyun

    2013-01-01

    Finite element (FE) method that is reliable and proven solution in mechanical field has been introduced into fuel performance codes for multidimensional analysis. The present state of the art in numerical simulation of FE-based fuel performance predominantly involves 2-D axisymmetric model and 3-D volumetric model. The FRAPCON and FRAPTRAN own 1.5-D and 2-D FE model to simulate PCMI and cladding ballooning. In 2-D simulation, the FALCON code, developed by EPRI, is a 2-D (R-Z and R-θ) fully thermal-mechanically coupled steady-state and transient FE-based fuel behavior code. The French codes TOUTATIS and ALCYONE which are 3-D, and typically used to investigate localized behavior. In 2008, the Idaho National Laboratory (INL) has been developing multidimensional (2-D and 3-D) nuclear fuel performance code called BISON. In this paper, the current state of FE-based fuel performance code and their models are presented. Based on investigation into the codes, requirements and direction of development for new FE-based fuel performance code can be discussed. Based on comparison of models in FE-based fuel performance code, status of art in the codes can be discussed. A new FE-based fuel performance code should include typical pellet and cladding models which all codes own. In particular, specified pellet and cladding model such as gaseous swelling and high burnup structure (HBS) model should be developed to improve accuracy of code as well as consider AC condition. To reduce computation cost, the approximated gap and the optimized contact model should be also developed. Nuclear fuel operates in an extreme environment that induces complex multiphysics phenomena, occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. This multiphysics behavior is often tightly coupled, a well known example being the thermomechanical behavior. Adding to this complexity, important aspects of fuel behavior are inherently

  4. Effects of Fe fine powders doping on hot deformed NdFeB magnets

    International Nuclear Information System (INIS)

    Lin, Min; Wang, Huijie; Zheng, Jingwu; Yan, Aru

    2015-01-01

    The composite NdFeB magnets with blending melt-spun flakes and Fe fine powders were prepared by the hot-pressed and hot-deformed route. Characterizations of the hot-deformed NdFeB magnets affected by the doped Fe powders were tested. The doped Fe powders decrease the hot-deformed pressure when the strain is between 15 and 50%. XRD patterns show that the doped Fe powders have little influence on the c-axis alignment of hot-deformed NdFeB magnets in the press direction. The B r and the (BH) max get improved when the doped Fe powders are less than 3 wt%. The doped Fe of hot-deformed NdFeB magnets exists in the elongated state and the spherical state surrounded by the Nd-rich phase. With the Fe fraction increasing, the potential of magnet moves to the positive direction and the diameter of the Nyquist arc becomes larger, which indicate that the corrosion resistance improved effectively. The bending strength was enhanced by the elongated α-Fe phase embedded in the matrix 2:14:1 phase. - Highlights: • The doped Fe powders have little influence on the c-axis alignment of magnets. • The elongated Fe powders are more than the spherical Fe powders in the magnets. • The corrosion resistance is improved effectively with the increasing Fe fraction. • The bending strength is enhanced by the elongated α-Fe phase embedded in the matrix

  5. Patterns of [FeFe] hydrogenase diversity in the gut microbial communities of lignocellulose-feeding higher termites.

    Science.gov (United States)

    Ballor, Nicholas R; Leadbetter, Jared R

    2012-08-01

    Hydrogen is the central free intermediate in the degradation of wood by termite gut microbes and can reach concentrations exceeding those measured for any other biological system. Degenerate primers targeting the largest family of [FeFe] hydrogenases observed in a termite gut metagenome have been used to explore the evolution and representation of these enzymes in termites. Sequences were cloned from the guts of the higher termites Amitermes sp. strain Cost010, Amitermes sp. strain JT2, Gnathamitermes sp. strain JT5, Microcerotermes sp. strain Cost008, Nasutitermes sp. strain Cost003, and Rhyncotermes sp. strain Cost004. Each gut sample harbored a more rich and evenly distributed population of hydrogenase sequences than observed previously in the guts of lower termites and Cryptocercus punctulatus. This accentuates the physiological importance of hydrogen for higher termite gut ecosystems and may reflect an increased metabolic burden, or metabolic opportunity, created by a lack of gut protozoa. The sequences were phylogenetically distinct from previously sequenced [FeFe] hydrogenases. Phylogenetic and UniFrac comparisons revealed congruence between host phylogeny and hydrogenase sequence library clustering patterns. This may reflect the combined influences of the stable intimate relationship of gut microbes with their host and environmental alterations in the gut that have occurred over the course of termite evolution. These results accentuate the physiological importance of hydrogen to termite gut ecosystems.

  6. Understanding FE Mergers. Research Report

    Science.gov (United States)

    Calvert, Natasha

    2009-01-01

    This report presents research findings and discussion to help develop an understanding of what gives rise to mergers and, when they do happen, what makes them work. The research has focused on merger activity between further education (FE) colleges since incorporation in 1993. Mergers are highly contextual, and part of ensuring success is…

  7. 57Fe Moessbauer studies on natural chromites

    International Nuclear Information System (INIS)

    Das, D.; Sudarshan, M.; Chintalapudi, S.N.; Chakravorty, K.L.

    1996-01-01

    Five chromite samples procured from two different belts of India have been studied by 57 Fe Moessbauer spectroscopy. It is shown that four symmetric doublets are sufficient to fit the chromite spectrum; the Moessbauer parameters and Fe 3+ /Fe 2+ ratio are computed. For fully oxidized chromite with only Fe 3+ , two doublets are needed and the parameters are computed. (author). 19 refs., 4 figs., 4 tabs

  8. High-resolution electron microscopy studies of the precipitation of copper under neutron irradiation in an Fe-1.3WT % Cu alloy.

    Energy Technology Data Exchange (ETDEWEB)

    Nicol, A. C.

    1998-12-21

    We have studied by electron microscopy the copper-rich precipitates in an Fe-1.3wt%Cu model alloy irradiated with neutrons to doses of 8.61 x 10{sup {minus}3} dpa and 6.3 x 10{sup {minus}2} dpa at a temperature of {approximately}270 C. In the lower dose material a majority (ca. 60%)of the precipitates visible in high-resolution electron microscopy were timed 9R precipitates of size {approximately}2-4 nm, while ca. 40% were untwinned. In the higher dose material, a majority (ca. 75%) of visible precipitates were untwinned although many still seemed to have a 9R structure. The average angle {alpha} between the herring-bone fringes in the twin variants was measured as 125{degree}, not the 129{degree} characteristic of precipitates in thermally-aged and electron-irradiated material immediately after the bcc{r_arrow}9R martensitic transformation. We argue that these results imply that the bcc{r_arrow}9R transformation of small (<4 nm) precipitates under neutron irradiation takes place at the irradiation temperature of 270 C rather than after subsequent cooling. Preliminary measurements showed that precipitate sizes did not depend strongly on dose, with a mean diameter of 3.4 {+-} 0.7 nm for the lower dose material, and 3.0 {+-} 0.5 nm for the higher dose material. This result agrees with the previous assumption that the lack of coarsening in precipitates formed under neutron irradiation is a consequence of the partial dissolution of larger precipitates by high-energy cascades.

  9. Atom exchange between aqueous Fe(II) and structural Fe in clay minerals.

    Science.gov (United States)

    Neumann, Anke; Wu, Lingling; Li, Weiqiang; Beard, Brian L; Johnson, Clark M; Rosso, Kevin M; Frierdich, Andrew J; Scherer, Michelle M

    2015-03-03

    Due to their stability toward reductive dissolution, Fe-bearing clay minerals are viewed as a renewable source of Fe redox activity in diverse environments. Recent findings of interfacial electron transfer between aqueous Fe(II) and structural Fe in clay minerals and electron conduction in octahedral sheets of nontronite, however, raise the question whether Fe interaction with clay minerals is more dynamic than previously thought. Here, we use an enriched isotope tracer approach to simultaneously trace Fe atom movement from the aqueous phase to the solid ((57)Fe) and from the solid into the aqueous phase ((56)Fe). Over 6 months, we observed a significant decrease in aqueous (57)Fe isotope fraction, with a fast initial decrease which slowed after 3 days and stabilized after about 50 days. For the aqueous (56)Fe isotope fraction, we observed a similar but opposite trend, indicating that Fe atom movement had occurred in both directions: from the aqueous phase into the solid and from the solid into aqueous phase. We calculated that 5-20% of structural Fe in clay minerals NAu-1, NAu-2, and SWa-1 exchanged with aqueous Fe(II), which significantly exceeds the Fe atom layer exposed directly to solution. Calculations based on electron-hopping rates in nontronite suggest that the bulk conduction mechanism previously demonstrated for hematite1 and suggested as an explanation for the significant Fe atom exchange observed in goethite2 may be a plausible mechanism for Fe atom exchange in Fe-bearing clay minerals. Our finding of 5-20% Fe atom exchange in clay minerals indicates that we need to rethink how Fe mobility affects the macroscopic properties of Fe-bearing phyllosilicates and its role in Fe biogeochemical cycling, as well as its use in a variety of engineered applications, such as landfill liners and nuclear repositories.

  10. Role of Cu During Sintering of Fe0.96Cu0.04 Nanoparticles

    Science.gov (United States)

    Sivaprahasam, D.; Sriramamurthy, A. M.; Bysakh, S.; Sundararajan, G.; Chattopadhyay, K.

    2018-01-01

    Nanoparticle agglomerates of passivated Fe (n-Fe) and Fe0.96Cu0.04 (n-Fe0.96Cu0.04), synthesized through the levitational gas condensation (LGC) process, were compacted and sintered using the conventional powder metallurgy method. The n-Fe0.96Cu0.04 agglomerates produced lower green density than n-Fe, and when compacted under pressure beyond 200 MPa, they underwent lateral cracking during ejection attributed to the presence of a passive oxide layer. Sintering under dynamic hydrogen atmosphere can produce a higher density of compact in n-Fe0.96Cu0.04 in comparison to n-Fe. Both the results of dilatometry and thermogravimetric (TG) measurements of the samples under flowing hydrogen revealed enhancement of the sintering process as soon as the reduction of oxide layers could be accomplished. The shrinkage rate of n-Fe0.96Cu0.04 reached a value three times higher than n-Fe at a low temperature of 723 K (450 °C) during heating. This enhanced shrinkage rate was the manifestation of accumulation of Cu at the surface of the particles. The formation of a thin-surface melted layer enriched with copper during heating to isothermal holding facilitated as a medium of transport for diffusion of the elements. The compacts produced by sintering at 773 K (500 °C), with relative density 82 pct, were found to be unstable and oxidized instantly when exposed to ambient atmosphere. The stable compacts of density more than 92 pct with 300- to 450-nm grain size could only be produced when sintering was carried out at 973 K (700 °C) and beyond. The 0.22 wt pct residual oxygen obtained in the sintered compact is similar to what is used for conventional ferrous powder metallurgy products.

  11. Modeling the active site of [FeFe]-hydrogenase: Electro-catalytic ...

    Indian Academy of Sciences (India)

    dithiolate-bridged di-iron com- plexes have been investigated in modelling the active sites of [FeFe]-H2ases. However, the reports of elec- trochemical data on ene-1,2-dithiolate-bridged-{Fe2S2} complexes are scarce. In this study, compound [Fe2{µ-.

  12. Laser alloyed Al-Ni-Fe coatings

    CSIR Research Space (South Africa)

    Pityana, SL

    2008-10-01

    Full Text Available The aim of this work was to produce crack-free thin surface layers consisting of binary (Al-Ni, Al-Fe) and ternary (Al-Ni-Fe) intermetallic phases by means of a high power laser beam. The laser surface alloying was carried out by melting Fe and Ni...

  13. Biogeochemical speciation of Fe in ocean water

    NARCIS (Netherlands)

    Hiemstra, T.; Riemsdijk, van W.H.

    2006-01-01

    The biogeochemical speciation of Fe in seawater has been evaluated using the consistent Non-Ideal Competitive Adsorption model (NICA¿Donnan model). Two types of data sets were used, i.e. Fe-hydroxide solubility data and competitive ligand equilibration/cathodic stripping voltammetry (CLE/CSV) Fe

  14. Mechanical alloying of Hf and Fe powders

    International Nuclear Information System (INIS)

    Mendoza Zelis, L.; Crespo, E.; Creus, M.; Damonte, L.C.; Sanchez, F.H.; Punte, G.

    1994-01-01

    Pure crystalline Hf and Fe powders were mixed and milled under an argon atmosphere. The evolution of the system with milling time was followed with Moessbauer effect spectroscopy and X-ray diffraction. The results indicate that in the first stages an amorphous Fe-rich alloy was gradually formed together with a solid solution of Hf in Fe beyond the solubility limit. (orig.)

  15. A novel approach for the synthesis of ultrathin silica-coated iron oxide nanocubes decorated with silver nanodots (Fe3O4/SiO2/Ag) and their superior catalytic reduction of 4-nitroaniline

    Science.gov (United States)

    Abbas, Mohamed; Torati, Sri Ramulu; Kim, Cheolgi

    2015-07-01

    A novel sonochemical approach was developed for the synthesis of different core/shell structures of Fe3O4/SiO2/Ag nanocubes and SiO2/Ag nanospheres. The total reaction time of the three sonochemical steps for the synthesis of Fe3O4/SiO2/Ag nanocubes is shorter than that of the previously reported methods. A proposed reaction mechanism for the sonochemical functionalization of the silica and the silver on the surface of magnetic nanocubes was discussed in detail. Transmission electron microscopy revealed that the surface of Fe3O4/SiO2 nanocubes was decorated with small Ag nanoparticles of approximately 10-20 nm in size, and the energy dispersive spectroscopy mapping analysis confirmed the morphology of the structure. Additionally, X-ray diffraction data were used to confirm the formation of both phases of a cubic inverse spinel structure for Fe3O4 and bcc structures for Ag in the core/shell structure of the Fe3O4/SiO2/Ag nanocubes. The as-synthesized Fe3O4/SiO2/Ag nanocubes showed a high efficiency in the catalytic reduction reaction of 4-nitroaniline to 4-phenylenediamine and a better performance than both Ag and SiO2/Ag nanoparticles. The grafted silver catalyst was recycled and reused at least fifteen times without a significant loss of catalytic efficiency.A novel sonochemical approach was developed for the synthesis of different core/shell structures of Fe3O4/SiO2/Ag nanocubes and SiO2/Ag nanospheres. The total reaction time of the three sonochemical steps for the synthesis of Fe3O4/SiO2/Ag nanocubes is shorter than that of the previously reported methods. A proposed reaction mechanism for the sonochemical functionalization of the silica and the silver on the surface of magnetic nanocubes was discussed in detail. Transmission electron microscopy revealed that the surface of Fe3O4/SiO2 nanocubes was decorated with small Ag nanoparticles of approximately 10-20 nm in size, and the energy dispersive spectroscopy mapping analysis confirmed the morphology of the

  16. Electrical resistivity surface for FeO-Fe2O3-P2O5 glasses

    Science.gov (United States)

    Vaughan, J. G.; Kinser, D. L.

    1975-01-01

    The dc electrical properties and microstructure of x(FeO-Fe2O3)-(100-x)P2O5 glasses were investigated up to a maximum of x = 75 mol %. Results indicate that, in general, the minimum resistivity of the glass does not occur at equal Fe(2+) and Fe(3+) concentrations, although for the special case where x = 55 mol % the minimum does occur at Fe(2+)/Fe total = 0.5, as reported by other investigators. Evidence presented shows that the position of the minimum resistivity is a function of total iron content. The minimum shifts to glasses richer in Fe(2+) at higher total iron concentrations.

  17. Dependence of catalytic properties of Al/Fe{sub 2}O{sub 3} thermites on morphology of Fe{sub 2}O{sub 3} particles in combustion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Ningning; He, Cuicui; Liu, Jianbing [School of Chemical Engineering, Northwest University, Shaanxi, Xi' an 710069 (China); Gong, Hujun [State Key Laboratory of Continental Dynamics, Northwest University, Shaanxi, Xi' an 710069 (China); An, Ting; Xu, Huixiang; Zhao, Fengqi; Hu, Rongzu [Science and Technology on Combustion and Explosion Laboratory, Xi' an Modern Chemistry Research Institute, Shaanxi, Xi' an 710065 (China); Ma, Haixia, E-mail: mahx@nwu.edu.cn [School of Chemical Engineering, Northwest University, Shaanxi, Xi' an 710069 (China); Department of Chemistry and Biochemistry, University of California, 1156 High Street, Santa Cruz, CA 95064 (United States); Zhang, Jinzhong, E-mail: zhang@ucsc.edu [Department of Chemistry and Biochemistry, University of California, 1156 High Street, Santa Cruz, CA 95064 (United States)

    2014-11-15

    Three Fe{sub 2}O{sub 3} particle samples with the same crystal structure but different morphologies were prepared by the hydrothermal method and then combined with Al nanoparticles to produce Al/Fe{sub 2}O{sub 3} thermites using ultrasonic mixing. The properties of Fe{sub 2}O{sub 3} and Al/Fe{sub 2}O{sub 3} were studied using a combination of experimental techniques including scanning electron microscopy (SEM), energy dispersive spectrometer (EDS), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and differential scanning calorimetry (DSC). The influences of the three Al/Fe{sub 2}O{sub 3} thermites on the combustion properties of the AP/HTPB (ammonium perchlorate/hydroxyl-terminated polybutadiene) composite propellant were investigated in comparison to those of Fe{sub 2}O{sub 3}. The results show that the Al/Fe{sub 2}O{sub 3} thermites are better than Fe{sub 2}O{sub 3} in enhancing the combustion performance of AP/HTPB. Furthermore, the surface area, which depends on size and mophology, of Fe{sub 2}O{sub 3} particles was found to play a vital role in improving the burning rate of the thermites-containing propellant formulation, with the smallest particles with the largest surface-to-volume (S/V) ratio performing the best. The enhanced catalytic property of the granular-shape Fe{sub 2}O{sub 3} and the corresponding thermite is attributed to the large specific surface area of Fe{sub 2}O{sub 3}. The different thermal behaviors of these three superthemites were supposed to be attributed to the surface site of Fe{sub 2}O{sub 3} particles. This work provides a better understanding on the catalytic properties of thermites that are important for combustion applications. - Graphical abstract: Effects of Fe{sub 2}O{sub 3} and Al/Fe{sub 2}O{sub 3} have been compared for the first time by analyzing combustion properties of formulations containing them, suggesting their potential application in AP/HTPB composite propellant systems. - Highlights:

  18. Process and genes for expression and overexpression of active [FeFe] hydrogenases

    Science.gov (United States)

    Seibert, Michael; King, Paul W; Ghirardi, Maria Lucia; Posewitz, Matthew C; Smolinski, Sharon L

    2014-09-16

    A process for expression of active [FeFe]-hydrogenase in a host organism that does not contain either the structural gene(s) for [FeFe]-hydrogenases and/or homologues for the maturation genes HydE, HydF and HyG, comprising: cloning the structural hydrogenase gene(s) and/or the maturation genes HydE, HydF and HydG from an organisms that contains these genes into expression plasmids; transferring the plasmids into an organism that lacks a native [FeFe]-hydrogenase or that has a disrupted [FeFe]-hydrogenase and culturing it aerobically; and inducing anaerobiosis to provide [FeFe] hydrogenase biosynthesis and H?2#191 production.

  19. Comparison of trace element contamination levels (Cu, Zn, Fe, Cd ...

    African Journals Online (AJOL)

    SERVER

    2008-03-18

    Mar 18, 2008 ... A comparative survey of the levels of contamination of the two gastropods, of the Potomidae family, has been done in the lagoon Ebrié .... rinsed with demineralised water, air-dried, then maintain plugged and wrapped before being ..... Marchand M, Martin JL (1985). Détermination de la pollution chimique.

  20. Microstructure and mechanical properties of ultrafine-grained Fe-14Cr and ODS Fe-14Cr model alloys

    Energy Technology Data Exchange (ETDEWEB)

    Auger, M.A., E-mail: mauger@fis.uc3m.es [Departamento de Fisica-IAAB, Universidad Carlos III de Madrid, 28911-Leganes (Spain); Leguey, T., E-mail: leguey@fis.uc3m.es [Departamento de Fisica-IAAB, Universidad Carlos III de Madrid, 28911-Leganes (Spain); Munoz, A., E-mail: amunoz@fis.uc3m.es [Departamento de Fisica-IAAB, Universidad Carlos III de Madrid, 28911-Leganes (Spain); Monge, M.A., E-mail: mmonge@fis.uc3m.es [Departamento de Fisica-IAAB, Universidad Carlos III de Madrid, 28911-Leganes (Spain); Castro, V. de, E-mail: vanessa.decastro@materials.ox.ac.uk [Department of Materials, University of Oxford, OX1 3PH (United Kingdom); Fernandez, P., E-mail: pilar.fernandez@ciemat.es [National Fusion Laboratory-CIEMAT, Avda. Complutense 22, 28040 Madrid (Spain); Garces, G., E-mail: ggarces@cenim.csic.es [Departamento de Metalurgia Fisica, CENIM (CSIC), Avda. Gregorio del Amo 8, 28040 Madrid (Spain); Pareja, R., E-mail: rpp@fis.uc3m.es [Departamento de Fisica-IAAB, Universidad Carlos III de Madrid, 28911-Leganes (Spain)

    2011-10-01

    Reduced activation ferritic Fe-14 wt%Cr and Fe-14 wt%Cr-0.3 wt%Y{sub 2}O{sub 3} alloys were produced by mechanical alloying and hot isostatic pressing followed by forging and heat treating. The alloy containing Y{sub 2}O{sub 3} developed a submicron-grained structure with homogeneous dispersion of oxide nanoparticles that enhanced the tensile properties in comparison to the Y{sub 2}O{sub 3} free alloy. Strengthening induced by the Y{sub 2}O{sub 3} dispersion appears to be effective up to 873 K, at least. A uniform distribution of Cr-rich precipitates, stable upon a heat treatment at 1123 K for 2 h, was also found in both alloys.

  1. Bio-green synthesis of Fe doped SnO2 nanoparticle thin film

    Science.gov (United States)

    Gattu, Ketan P.; Ghule, Kalyani; Huse, Nanasaheb P.; Dive, Avinash S.; Bagul, Sagar B.; Digraskar, Renuka V.; Sharma, Ramphal; Ghule, Anil V.

    2017-05-01

    Herein Fe doped SnO2 nanoparticles have been synthesized using simple, cost effective and ecofriendly biosynthesis method, in which remnant water (ideally kitchen waste) collected from soaked Bengal gram beans (Cicer arietinum L.) was used. This extract consists of different bio-molecules which acted as complexing as well as capping agents for synthesis of Fe-doped SnO2 nanoparticles. The X-ray powder diffraction (XRD) and Field-emission scanning electron microscopy (FE-SEM) revealed uniform size distribution with the average size of 6 nm and confirmed the formation of rutile structure with space group (P42/mnm) and nanocrystalline nature of the products with spherical morphology. Further, the gas sensing properties of the materials have been studied in comparison with other gases. The reported gas sensing results are promising, which suggest that the Fe-dopant is a promising noble metal additives to fabricate low cost SnO2 based sensor.

  2. Passivation characteristics of beta-FeAl intermetallic compound in sulphate solutions

    Energy Technology Data Exchange (ETDEWEB)

    Frangini, S.; De Cristofaro, N.; Lascovich, J.C.; Mignone, A. [ENEA, Casaccia (Italy). Dipt. Tecnologie Intersettoriali di Base

    1992-12-31

    The corrosion and passivation behaviour of a Fe-24 wt% Al intermetallic compound was studied in sulphate solutions using cyclic voltammetry and potentiodynamic curves, combined with x-ray photoelectron spectrocopy (XPS). The voltagrams performed in H{sub 2}SO{sub 4} 0.5M show the peak characteristics of the oxidation/reduction process of iron. The comparison of the anodic polarization curve of FeAI in acid solution with those of the pure elements shows the beneficial effect of Al when added to Fe in terms of both passive range and current. At higher pH (6.0 and 13.6), the FeAI passivates spontaneously. Preliminary studies of the passive film grown in air and anodically performed by XPS revealed the co-existence of iron and aluminium oxide, thus explaining the superior corrosion resistance of iron aluminides as compared with iron.

  3. Investigation of short range order in Fe-C melts by neutron scattering

    International Nuclear Information System (INIS)

    Weber, M.; Steeb, S.

    1978-01-01

    Neutron diffraction measurements were done with Fe-C-melts (5; 13; and 17 at % C) using the method of isotopic substitution. The neutron small angle scattering effect observed could be explained by magnetic scattering, caused by spin-fluctuations still existing in the molten state far away from the Curie temperature. Total structure factors were calculated from observed intensities taking into account the correction for magnetic scattering. For each carbon concentration two alloys were investigated, one using iron of natural isotopic abundance and the other using enriched 57 Fe. From a comparison of the q-region below the first maximum of the total structure factor as obtained using Fesup(nat) or 57 Fe, respectively, a tendency to the preference of unlike nearest neighbours is concluded, the distance between Fe-C-pairs being 2.2 A. (orig.) [de

  4. The role of silicon on the microstructure and magnetic behaviour of nanostructured (Fe{sub 0.7}Co{sub 0.3}){sub 100−x}Si{sub x} powders

    Energy Technology Data Exchange (ETDEWEB)

    Hocine, M. [Département de Génie Mécanique, Faculté de Technologies, Université de M' sila, B.P 166 Ichbelia, M' sila (Algeria); UR-MPE, M' hamed Bougara University, Boumerdes, 35000 Algeria (Algeria); Guittoum, A., E-mail: aguittoum@gmail.com [Nuclear Research Centre of Algiers, 02Bd Frantz Fanon, BP 399, Alger-Gare, Algiers (Algeria); Hemmous, M. [Nuclear Research Centre of Algiers, 02Bd Frantz Fanon, BP 399, Alger-Gare, Algiers (Algeria); Martínez-Blanco, D. [SCTs, University of Oviedo, EPM, Mieres, 33600 Spain (Spain); Gorria, P. [Department of Physics, EPI, University of Oviedo, Gijón, 33203 Spain (Spain); Rahal, B. [Nuclear Research Centre of Algiers, 02Bd Frantz Fanon, BP 399, Alger-Gare, Algiers (Algeria); Blanco, J.A. [Department of Physics, University of Oviedo, CalvoSotelo St., Oviedo, 330 07 Spain (Spain); Sunol, J.J. [Departament de Fisica, Universitat de Girona, Campus de Montillivi, Girona, 17071 Spain (Spain); Laggoun, A. [UR-MPE, M' hamed Bougara University, Boumerdes, 35000 Algeria (Algeria)

    2017-01-15

    Single-phase(Fe{sub 0.7}Co{sub 0.3}){sub 100−x}Si{sub x} nanostructured powders (x=0,5, 10, 15 and 20) have been elaborated by mechanical alloying in order to investigate the effect of silicon on the microstructure and magnetic properties of these alloys. A disordered Fe(Co, Si) solid solution with body centred cubic (bcc) crystal structure is formed after 72 h of milling for all the compositions. The addition of Si gives rise to a progressive decrease of the lattice parameter, from about 2.865 Å for the binary Fe{sub 70}Co{sub 30} compound down to 2.841 Å for the powder with x=20. The sample with the uppermost Si content exhibits the lowest value for the mean grain size (≈10 nm) as well as the largest microstrain (above 1.1%). All the samples are ferromagnetic at room temperature, although the saturation magnetization value reduces almost linearly by adding Si to the composition. A similar trend is observed for the hyperfine magnetic field obtained from the analysis of the room temperature Mössbauer spectra. The hyperfine field distributions show a broad double-peak shape for x>0, which can be ascribed to multiple local environments for the Fe atoms inside a disordered solid solution. - Highlights: • Single-phase (Fe{sub 0.7}Co{sub 0.3}){sub 100−x}Si{sub x} nanostructured powders (x=0, 5, 10, 15 and 20) have been elaborated by mechanical alloying. • The sample with the uppermost Si content exhibits the lowest value for the mean grain size. • The magnetic and hyperfine parameters of (Fe{sub 0.7}Co{sub 0.3}){sub 100−x}Si{sub x} depended intimately on Si content.

  5. Mechanochemical synthesis of Fe-S materials

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Larsen, R.K.; Lin, R.

    1998-01-01

    Powder mixtures of metallic iron and sulfur have been milled in a high-energy planetary ball mill and the formation of iron sulfides has been studied by x-ray diffraction, Mossbauer spectroscopy, and scanning electron microscopy. For Fe:S ratios of 1:1 and 1:2 the final products are FeS with the ......S with the modified NiAs structure and FeS2 (pyrite), respectively. No other iron sulfides were formed for any of the Fe:S ratios studied. The FeS phase has been tested as an electrode material in lithium batteries....

  6. Influence of Co content and thermal annealing on structural, magnetic and magneto elastic properties of nanocrystalline Fe-Co-Nb-B alloys

    International Nuclear Information System (INIS)

    Khinchi, S.S.; Modak, S.S.; Kraus, L.; Svec, P.; Mazaleyrat, F.; Kane, S.N.

    2010-01-01

    Structural, magnetic and magneto elastic properties of the nanocrystalline Fe 84-x Co x Nb 7 B 9 (x=17, 25, 33) alloys have been studied using differential scanning calorimetry, X-ray diffraction, hysteresis and magnetostrictive measurements. Successive addition of Co reduces the stability of the alloys against the crystallization and also affects the structural, magnetic and magneto elastic properties. Observed magnetic behaviour suggests that in the coercive field exhibits for the increase of Co content in the alloy there is a changeover from third power dependence to sixth power dependence on grain size, ascribed to the presence of annealing induced anisotropies. Both experimentally obtained and estimated values of the saturation magnetostriction constant shows noticeable changes with increase in the annealing temperature and Co content in the parent alloy due to the increase of volume fraction of the nanograins, stresses and grain growth. Co content in nanocrystalline bcc Fe-Co phase ranges between 10-66%; whereas volume fraction of nanocrystalline phase and average grain diameter is in the range 15-70% and 8-20 nm, respectively.

  7. Elevated-Temperature Corrosion of CoCrCuFeNiAl0.5Bx High-Entropy Alloys in Simulated Syngas Containing H2S

    Energy Technology Data Exchange (ETDEWEB)

    Dogan, Omer N; Nielsen, Benjamin C; Hawk, Jeffrey A

    2013-08-01

    High-entropy alloys are formed by synthesizing five or more principal elements in equimolar or near equimolar concentrations. Microstructure of the CoCrCuFeNiAl{sub 0.5}B{sub x} (x = 0, 0.2, 0.6, 1) high-entropy alloys under investigation is composed of a mixture of disordered bcc and fcc phases and borides. These alloys were tested gravimetrically for their corrosion resistance in simulated syngas containing 0, 0.01, 0.1, and 1 % H{sub 2}S at 500 °C. The exposed coupons were characterized using XRD and SEM. No significant corrosion was detected at 500 °C in syngas containing 0 and 0.01 % H{sub 2}S while significant corrosion was observed in syngas containing 0.1 and 1 % H{sub 2}S. Cu{sub 1.96}S was the primary sulfide in the external corrosion scale on the low-boron high-entropy alloys, whereas FeCo{sub 4}Ni{sub 4}S{sub 8} on the high-boron high-entropy alloys. Multi-phase Cu-rich regions in the low-B high-entropy alloys were vulnerable to corrosive attack.

  8. Rapid degradation of dyes in water by magnetic Fe(0)/Fe3O4/graphene composites.

    Science.gov (United States)

    Chong, Shan; Zhang, Guangming; Tian, Huifang; Zhao, He

    2016-06-01

    Magnetic Fe(0)/Fe3O4/graphene has been successfully synthesized by a one-step reduction method and investigated in rapid degradation of dyes in this work. The material was characterized by N2 sorption-desorption, scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR), vibrating-sample magnetometer (VSM) measurements and X-ray photoelectron spectroscopy (XPS). The results indicated that Fe(0)/Fe3O4/graphene had a layered structure with Fe crystals highly dispersed in the interlayers of graphene, which could enhance the mass transfer process between Fe(0)/Fe3O4/graphene and pollutants. Fe(0)/Fe3O4/graphene exhibited ferromagnetism and could be easily separated and re-dispersed for reuse in water. Typical dyes, such as Methyl Orange, Methylene Blue and Crystal Violet, could be decolorized by Fe(0)/Fe3O4/graphene rapidly. After 20min, the decolorization efficiencies of methyl orange, methylene blue and crystal violet were 94.78%, 91.60% and 89.07%, respectively. The reaction mechanism of Fe(0)/Fe3O4/graphene with dyes mainly included adsorption and enhanced reduction by the composite. Thus, Fe(0)/Fe3O4/graphene prepared by the one-step reduction method has excellent performance in removal of dyes in water. Copyright © 2016. Published by Elsevier B.V.

  9. The Partial Molar Volume and Compressibility of FeO in CaO-SiO2 Liquids: Systematic Variation with Fe2+ Coordination Change

    Science.gov (United States)

    Guo, X.; Lange, R. A.; Ai, Y.

    2009-12-01

    Iron is an important element in magmatic liquid, since its concentration can range up to 18% in some basaltic liquids, and it has two oxidation states. In order to model magmatic processes, thermodynamic descriptions of silicate melts must include precise information for both the FeO and Fe2O3 components. Currently, the partial molar volume of FeO is not as well known as that for Fe2O3 because of the difficulty of performing double-bob density measurements under reducing conditions. Yet these data are required in order to convert sound speed measurements on FeO-bearing liquids into compressibility data, which in turn are needed extend density models for magmatic liquids to elevated pressures. Moreover, there is growing evidence from the spectroscopic literature that Fe2+ occurs in 4, 5, and 6-fold coordination in silicate melts, and thus it is possible that the partial molar volume and compressibility of FeO may vary with Fe2+ coordination, and thus with melt composition. To explore these issues, we have conducted both density and relaxed sound speed measurements on liquids in the CaO-FeO-SiO2 system, where the CaO/SiO2 ratio was systematically varied at constant FeO concentration (40 mol%). Density was measured between 1594 and 1813K with the double-bob Archimedean method using molybdenum bobs and crucible in a reducing gas (1%CO-99%Ar) environment. The sounds speeds were measured under similar conditions with a frequency-sweep acoustic interferometer. The derived partial molar volume of FeO increases systematically from 13.7 to 15.2 cm3/mol at 1673 K as the CaO/SiO2 ratio increases and the Fe2+ coordination number decreases. From a comparison with the crystalline volume of FeO (halite structure; 12.06 cm3/mol), which serves as a lower limit for VFeO in silicate liquids when Fe2+ is in 6-fold coordination, we estimate that the average Fe2+ coordination in our experimental melts extends up to values between 5 and 4, consistent with the spectroscopic literature. The

  10. Selenium catalyzed Fe(III)-EDTA reduction by Na2SO3: a reaction-controlled phase transfer catalysis.

    Science.gov (United States)

    Xiang, Kaisong; Liu, Hui; Yang, Bentao; Zhang, Cong; Yang, Shu; Liu, Zhilou; Liu, Cao; Xie, Xiaofeng; Chai, Liyuan; Min, Xiaobo

    2016-04-01

    Fe(II)-EDTA, a typical chelated iron, is able to coordinate with nitric oxide (NO) which accelerates the rates and kinetics of the absorption of flue gas. However, Fe(II)-EDTA can be easily oxidized to Fe(III)-EDTA which is unable to absorb NO. Therefore, the regeneration of fresh Fe(II)-EDTA, which actually is the reduction of Fe(III)-EDTA to Fe(II)-EDTA, becomes a crucial step in the denitrification process. To enhance the reduction rate of Fe(III)-EDTA, selenium was introduced into the SO3 (2-)/Fe(III)-EDTA system as catalyst for the first time. By comparison, the reduction rate was enhanced by four times after adding selenium even at room temperature (25 °C). Encouragingly, elemental Se could precipitate out when SO3 (2-) was consumed up by oxidation to achieve self-separation. A catalysis mechanism was proposed with the aid of ultraviolet-visible (UV-Vis) spectroscopy, Tyndall scattering, horizontal attenuated total reflection Fourier transform infrared (HATR-FTIR) spectroscopy, and X-ray diffraction (XRD). In the catalysis process, the interconversion between SeSO3 (2-) and nascent Se formed a catalysis circle for Fe(III)-EDTA reduction in SO3 (2-) circumstance.

  11. A Ca/Fe X-ray fluorescence analyzer suitable for the purpose of teaching

    International Nuclear Information System (INIS)

    Qu Guopu; Guo Lanying; Xu Shaoyi

    2003-01-01

    This paper introduces a Ca/Fe XRF analyzer specially designed for the purpose of teaching the related courses on nuclear engineering and nuclear technology in the university. Both working principle and constitution of the instrument are presented. A comparison between XRF analysis and chemical analysis showed that the two results were in agreement with an error of ±0.7%

  12. Determination of Total Iron as Fe(II) in Multivitamins, Haematinics ...

    African Journals Online (AJOL)

    The proposed system is suitable for the determination of total iron as Fe(II) in pharmaceutical products and natural waters at a rate of 24 samples/hour with a relative standard deviation of less than 2.5%. Statistical comparison between the proposed sequential injection (SIA) system, certified values and the standard ...

  13. Evidence of Decay of Flux Ratio of Fe to Fe–Ni Line Features with ...

    Indian Academy of Sciences (India)

    2010-08-18

    Aug 18, 2010 ... Abstract. We report observational evidence of the decay of the flux ratio of Fe to Fe–Ni line features as a function of plasma electron tempera- ture in solar flares in comparison to that theoretically predicted by Phillips. (2004). We present the study of spectral analysis of 14 flares observed by the. Solar X-ray ...

  14. Magnetostriction of FM/TbFe (FM=Fe, Py-permalloy, FeCo) coupled bilayer

    International Nuclear Information System (INIS)

    Li Jianjun

    2012-01-01

    Choosing TbFe as the magnetostrictive layer and using soft ferromagnetic materials (FM=Fe, Py-permalloy, FeCo) as the inductive layer, we report the magnetization and magnetostriction of the S/FM(10 nm)/TbFe(10 nm) coupled bilayer (S-glass substrate). The magnetization of the coupled bilayer is attributed to the soft ferromagnetic layer and there is no contribution from the TbFe layer. Interfacial exchange interaction plays an important role in determining the magnetostriction of the coupled bilayer. The effect coming from the deposition Argon pressure on the magnetostriction of the coupled bilayer was also investigated. - Highlights: ► Choosing TbFe as magnetostrictive layer and with soft ferromagnetic material (FM=Fe, Py-permalloy, FeCo) as inductive layer. ► We report the magnetization and magnetostriction of the S/FM(10 nm)/TbFe(10 nm) coupled bilayer (S-glass substrate). ► The magnetization of coupled bilayer is attributed to soft ferromagnetic layer and there is no contribution from TbFe layer. ► Interfacial exchange interaction plays an important role in determining the magnetostriction of the coupled bilayer.

  15. Zinc and resin bonded NdFeB magnets

    International Nuclear Information System (INIS)

    Leonowicz, M.; Kaszuwara, W.

    2002-01-01

    Zinc and resin bonded NdFeB magnets were processed. Basic magnetic parameters as well as compressive strength were evaluated versus annealing temperature and volume fraction of the bonding agent. For the zinc bonded magnets phase composition was investigated. The additional NdZn 5 phase was found in the Zn bonded magnets after annealing. Comparison of the Zn and resin bonded magnets reveals higher remanence for the former and higher coercivity for the latter. For the Zn and resin bonded magnets, 15 wt.% Zn / 370 o C and 7-10 wt.% resin were chosen as the optimal processing parameters. (author)

  16. Magnetostrictive GMR spin valves with composite FeGa/FeCo free layers

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Luping [Key Laboratory of Magnetic Materials and Devices & Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Institute of Materials Science, School of Materials Science and Engineering, Shanghai University, Shanghai 200072 (China); Zhan, Qingfeng, E-mail: zhanqf@nimte.ac.cn, E-mail: runweili@nimte.ac.cn; Yang, Huali; Li, Huihui; Zhang, Shuanglan; Liu, Yiwei; Wang, Baomin; Li, Run-Wei, E-mail: zhanqf@nimte.ac.cn, E-mail: runweili@nimte.ac.cn [Key Laboratory of Magnetic Materials and Devices & Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Tan, Xiaohua [Institute of Materials Science, School of Materials Science and Engineering, Shanghai University, Shanghai 200072 (China)

    2016-03-15

    We have fabricated strain-sensitive spin valves on flexible substrates by utilizing the large magnetostrictive FeGa alloy to promote the strain sensitivity and the composite free layer of FeGa/FeCo to avoid the drastic reduction of giant magnetoresistance (GMR) ratio. This kind of spin valve (SV-FeGa/FeCo) displays a MR ratio about 5.9%, which is comparable to that of the conventional spin valve (SV-FeCo) with a single FeCo free layer. Different from the previously reported works on magnetostrictive spin valves, the SV-FeGa/FeCo displays an asymmetric strain dependent GMR behavior. Upon increasing the lateral strain, the MR ratio for the ascending branch decreases more quickly than that for the descending branch, which is ascribed to the formation of a spiraling spin structure around the FeGa/FeCo interface under the combined influences of both magnetic field and mechanical strain. A strain sensitivity of GF = 7.2 was achieved at a magnetic bias field of -30 Oe in flexible SV-FeGa/FeCo, which is significantly larger than that of SV-FeCo.

  17. Magnetostrictive GMR spin valves with composite FeGa/FeCo free layers

    International Nuclear Information System (INIS)

    Liu, Luping; Zhan, Qingfeng; Yang, Huali; Li, Huihui; Zhang, Shuanglan; Liu, Yiwei; Wang, Baomin; Li, Run-Wei; Tan, Xiaohua

    2016-01-01

    We have fabricated strain-sensitive spin valves on flexible substrates by utilizing the large magnetostrictive FeGa alloy to promote the strain sensitivity and the composite free layer of FeGa/FeCo to avoid the drastic reduction of giant magnetoresistance (GMR) ratio. This kind of spin valve (SV-FeGa/FeCo) displays a MR ratio about 5.9%, which is comparable to that of the conventional spin valve (SV-FeCo) with a single FeCo free layer. Different from the previously reported works on magnetostrictive spin valves, the SV-FeGa/FeCo displays an asymmetric strain dependent GMR behavior. Upon increasing the lateral strain, the MR ratio for the ascending branch decreases more quickly than that for the descending branch, which is ascribed to the formation of a spiraling spin structure around the FeGa/FeCo interface under the combined influences of both magnetic field and mechanical strain. A strain sensitivity of GF = 7.2 was achieved at a magnetic bias field of -30 Oe in flexible SV-FeGa/FeCo, which is significantly larger than that of SV-FeCo.

  18. Magnetostrictive GMR spin valves with composite FeGa/FeCo free layers

    Science.gov (United States)

    Liu, Luping; Zhan, Qingfeng; Yang, Huali; Li, Huihui; Zhang, Shuanglan; Liu, Yiwei; Wang, Baomin; Tan, Xiaohua; Li, Run-Wei

    2016-03-01

    We have fabricated strain-sensitive spin valves on flexible substrates by utilizing the large magnetostrictive FeGa alloy to promote the strain sensitivity and the composite free layer of FeGa/FeCo to avoid the drastic reduction of giant magnetoresistance (GMR) ratio. This kind of spin valve (SV-FeGa/FeCo) displays a MR ratio about 5.9%, which is comparable to that of the conventional spin valve (SV-FeCo) with a single FeCo free layer. Different from the previously reported works on magnetostrictive spin valves, the SV-FeGa/FeCo displays an asymmetric strain dependent GMR behavior. Upon increasing the lateral strain, the MR ratio for the ascending branch decreases more quickly than that for the descending branch, which is ascribed to the formation of a spiraling spin structure around the FeGa/FeCo interface under the combined influences of both magnetic field and mechanical strain. A strain sensitivity of GF = 7.2 was achieved at a magnetic bias field of -30 Oe in flexible SV-FeGa/FeCo, which is significantly larger than that of SV-FeCo.

  19. Influence of the spacer layer on microstructure and magnetic properties of [NdFeB/(NbCu)]xn thin films

    Energy Technology Data Exchange (ETDEWEB)

    Chiriac, H. [National Institute of R and D for Technical Physics, 47 Mangeron Blvd., 700050 Iasi (Romania); Grigoras, M. [National Institute of R and D for Technical Physics, 47 Mangeron Blvd., 700050 Iasi (Romania); Urse, M. [National Institute of R and D for Technical Physics, 47 Mangeron Blvd., 700050 Iasi (Romania)]. E-mail: urse@phys-iasi.ro

    2007-09-15

    Some results concerning the influence of the composition and thickness of NbCu spacer layer on the microstructure and magnetic properties of multilayer [NdFeB/(NbCu)]xn films, in view of their utilization for manufacturing the thin film permanent magnets are presented. A comparison between the microstructure and magnetic properties of NdFeB single layer and [NdFeB/(NbCu)]xn multilayer is also presented. The multilayer [NdFeB/(NbCu)]xn thin films with the thickness of the NdFeB layer of 180nm and the thickness of the NbCu spacer layer of 3nm, exhibit good hard magnetic characteristics such as coercive force H{sub c} of about 1510kA/m and the remanence ratio M{sub r}/M{sub s} of about 0.8.

  20. Influence of the spacer layer on microstructure and magnetic properties of [NdFeB/(NbCu)]xn thin films

    International Nuclear Information System (INIS)

    Chiriac, H.; Grigoras, M.; Urse, M.

    2007-01-01

    Some results concerning the influence of the composition and thickness of NbCu spacer layer on the microstructure and magnetic properties of multilayer [NdFeB/(NbCu)]xn films, in view of their utilization for manufacturing the thin film permanent magnets are presented. A comparison between the microstructure and magnetic properties of NdFeB single layer and [NdFeB/(NbCu)]xn multilayer is also presented. The multilayer [NdFeB/(NbCu)]xn thin films with the thickness of the NdFeB layer of 180nm and the thickness of the NbCu spacer layer of 3nm, exhibit good hard magnetic characteristics such as coercive force H c of about 1510kA/m and the remanence ratio M r /M s of about 0.8