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Sample records for cubic spinel structure

  1. The bulk modulus of cubic spinel selenides: an experimental and theoretical study

    DEFF Research Database (Denmark)

    Waskowska, A.; Gerward, Leif; Olsen, J.S.

    2009-01-01

    It is argued that mainly the selenium sublattice determines the overall compressibility of the cubic spinel selenides, AB2Se4, and that the bulk modulus for these compounds is about 100GPa. The hypothesis is supported by experiments using high-pressure X-ray diffraction and synchrotron radiation...

  2. Hyperfine Interactions in Ferrites with Spinel Structure

    OpenAIRE

    Chlan, Vojtěch

    2013-01-01

    Title: Hyperfine Interactions in Ferrites with Spinel Structure Author: Vojtěch Chlan Faculty of Mathematics and Physics, Charles University in Prague Supervisor: Prof. RNDr. Helena Štěpánková, CSc. Abstract: Ferrite systems with spinel structure, manganese ferrite, lithium ferrite and magnetite, are studied experimentally by nuclear magnetic resonance (NMR) spectroscopy and from the first principles by electron structure calculations based on density functional theory (DFT). Manganese ferrit...

  3. Study of the crystallographic and magnetic properties of cubic manganite spinels NiMn2O4

    International Nuclear Information System (INIS)

    Boucher, B.

    1969-01-01

    We study the variation of the crystallographic properties (inversion degree, position parameters and short range order) of the cubic spinel Mn ν Ni 1-ν [Mn 2ν Ni ν ]O 4 , as a function of the thermal treatment applied to the sample. ν lies between 0. 74 and 0. 93; the slower the sample is cooled the more inverse it is. We show, in a molecular field theory, that a system of three magnetic sublattices can afford a 'star' configuration. We establish the conditions of stability of such a structure and its evolution as a function of temperature is foreseen. Neutron diffraction measurements show that the magnetic structure of NiMn 2 O 4 at 4.2 K is a 'star' configuration and that with increasing temperature it becomes a collinear structure in agreement with the theory. Furthermore, we find an anomaly in the value of specific heat at the transition temperature between 'star' and collinear structures. (author) [fr

  4. Structural modifications of spinels under radiation

    International Nuclear Information System (INIS)

    Quentin, A.

    2010-12-01

    This work is devoted to the study of spinel structure materials under radiation. For that purpose, samples of polycrystalline ZnAl 2 O 4 and monocrystalline MgAl 2 O 4 were irradiated by different heavy ions with different energies. Samples of ZnAl 2 O 4 were studied par electron transmission microscopy, and by grazing incidence X-Ray diffraction and Rietveld analysis. Samples of MgAl 2 O 4 were studied by optical spectroscopy. Most of the results concern amorphization and crystalline structure modification of ZnAl 2 O 4 especially the inversion. We were able to determine a stopping power threshold for amorphization, between 11 keV/nm and 12 keV/nm, and also the amorphization process, which is a multiple impacts process. We studied the evolution of the amorphous phase by TEM and showed a nano-patterning phenomenon. Concerning the inversion, we determined that it did happen by a single impact process, and the saturation value did not reach the random cation distribution value. Inversion and amorphization have different, but close, stopping power threshold. However, amorphization seems to be conditioned by a pre-damage of the material which consists in inversion. (author)

  5. High-pressure behaviour of selenium-based spinels and related structures - an experimental and theoretical study

    International Nuclear Information System (INIS)

    Waskowska, A; Gerward, L; Olsen, J Staun; Feliz, M; Llusar, R; Gracia, L; Marques, M; Recio, J M

    2004-01-01

    The high-pressure structural behaviour of the cubic spinel CdCr 2 Se 4 (space group Fd3barm) and tetragonal CdGa 2 Se 4 (I4bar) has been investigated experimentally and theoretically in order to understand the large difference in compressibility between the two selenides. The experimental values of the bulk modulus for these compounds are 101(2) and 48(2) GPa, respectively. These values compare well with 92 and 44 GPa obtained from first-principles calculations based on the density functional theory formalism. The observed difference in compressibility between the cubic and tetragonal structures can be understood in terms of polyhedral analysis. In a hypothetical cubic spinel structure Fd3barm), the calculated bulk modulus for CdGa 2 Se 4 is 85 GPa. This value together with the experimental and theoretical results for CdCr 2 Se 4 suggest that the selenium-based cubic spinels should have a bulk modulus about 100 GPa, which is half the value found for the oxide spinels

  6. High-pressure behaviour of selenium-based spinels and related structures - an experimental and theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Waskowska, A [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, 50 422 Wroclaw (Poland); Gerward, L [Department of Physics, Technical University of Denmark, 2800 Kongens Lyngby, Denmark (Denmark); Olsen, J Staun [Niels Bohr Institute, Oersted Laboratory, University of Copenhagen, 2100 Copenhagen (Denmark); Feliz, M [Universitat Jaume I - Campus de Riu Sec, Departament de Ciences Experimentals, Apartat 224, Castellon (Spain); Llusar, R [Universitat Jaume I - Campus de Riu Sec, Departament de Ciences Experimentals, Apartat 224, Castellon (Spain); Gracia, L [Universitat Jaume I - Campus de Riu Sec, Departament de Ciences Experimentals, Apartat 224, Castellon (Spain); Marques, M [Departamento de QuImica FIsica y AnalItica, Universidad de Oviedo, E-33006 Oviedo (Spain); Recio, J M [Departamento de QuImica FIsica y AnalItica, Universidad de Oviedo, E-33006 Oviedo (Spain)

    2004-01-14

    The high-pressure structural behaviour of the cubic spinel CdCr{sub 2}Se{sub 4} (space group Fd3barm) and tetragonal CdGa{sub 2}Se{sub 4} (I4bar) has been investigated experimentally and theoretically in order to understand the large difference in compressibility between the two selenides. The experimental values of the bulk modulus for these compounds are 101(2) and 48(2) GPa, respectively. These values compare well with 92 and 44 GPa obtained from first-principles calculations based on the density functional theory formalism. The observed difference in compressibility between the cubic and tetragonal structures can be understood in terms of polyhedral analysis. In a hypothetical cubic spinel structure Fd3barm), the calculated bulk modulus for CdGa{sub 2}Se{sub 4} is 85 GPa. This value together with the experimental and theoretical results for CdCr{sub 2}Se{sub 4} suggest that the selenium-based cubic spinels should have a bulk modulus about 100 GPa, which is half the value found for the oxide spinels.

  7. High-pressure phase of the cubic spinel NiMn2O4

    DEFF Research Database (Denmark)

    Åsbrink, S.; Waskowska, A.; Olsen, J. Staun

    1998-01-01

    experimental uncertainty, there is no volume change at the transition. The cia ratio of the tetragonal spinel is almost independent of pressure and equal to 0.91. The phase transition is attributed to the Jahn-Teller-type distortion and the ionic configurationcan be assumed as (Mn3+)(tetr)[Ni2+Mn3+](oct...

  8. Superhard BC(3) in cubic diamond structure.

    Science.gov (United States)

    Zhang, Miao; Liu, Hanyu; Li, Quan; Gao, Bo; Wang, Yanchao; Li, Hongdong; Chen, Changfeng; Ma, Yanming

    2015-01-09

    We solve the crystal structure of recently synthesized cubic BC(3) using an unbiased swarm structure search, which identifies a highly symmetric BC(3) phase in the cubic diamond structure (d-BC(3)) that contains a distinct B-B bonding network along the body diagonals of a large 64-atom unit cell. Simulated x-ray diffraction and Raman peaks of d-BC(3) are in excellent agreement with experimental data. Calculated stress-strain relations of d-BC(3) demonstrate its intrinsic superhard nature and reveal intriguing sequential bond-breaking modes that produce superior ductility and extended elasticity, which are unique among superhard solids. The present results establish the first boron carbide in the cubic diamond structure with remarkable properties, and these new findings also provide insights for exploring other covalent solids with complex bonding configurations.

  9. Use of Pom Pons to Illustrate Cubic Crystal Structures.

    Science.gov (United States)

    Cady, Susan G.

    1997-01-01

    Describes a method that uses olefin pom pons to illustrate cubic crystal structure. Facilitates hands-on examination of different packing arrangements such as hexagonal close-packed and cubic close-packed structures. (JRH)

  10. Raman spectroscopic studies of lithium manganates with spinel structure

    CERN Document Server

    Julien, C M

    2003-01-01

    Raman scattering spectra of a set of lithium manganospinels Li sub 1 sub - sub x sub + sub z Mn sub 2 sub - sub z O sub 4 with 0 sup<= x sup<= 1 and 0 sup<= z sup<= 0.33 are reported and analysed. Structural changes have been investigated following the evolution of Raman spectra with the concentration of lithium cations. The local structure was characterized as a function of the mean oxidation state of manganese cations. The trigonal distortion of MnO sub 6 octahedra is evidenced by insertion of lithium ions into the [B sub 2]O sub 4 spinel framework. A comparison with tetragonal Mn sub 3 O sub 4 and Fe sub 3 O sub 4 spinels shows the influence of the Jahn-Teller effect on the Raman features for this class of materials.

  11. Structural and magnetic transitions in spinel FeM n2O4 single crystals

    Science.gov (United States)

    Nepal, Roshan; Zhang, Qiang; Dai, Samuel; Tian, Wei; Nagler, S. E.; Jin, Rongying

    2018-01-01

    Materials that form the spinel structure are known to exhibit geometric frustration, which can lead to magnetic frustration as well. Through magnetization and neutron diffraction measurements, we find that FeM n2O4 undergoes one structural and two magnetic transitions. The structural transition occurs at Ts˜595 K from cubic at high temperatures to tetragonal at low temperatures. Two magnetic transitions are ferrimagnetic at TFI -1˜373 K and TFI -2˜50 K , respectively. Further investigation of the specific heat, thermal conductivity, and Seebeck coefficient confirms both magnetic transitions. Of particular interest is that there is a significant magnetic contribution to the low-temperature specific heat and thermal conductivity, providing a unique system to study heat transport by magnetic excitations.

  12. Effect of gamma irradiation on the structural and magnetic properties of Co–Zn spinel ferrite nanoparticles

    International Nuclear Information System (INIS)

    Raut, Anil V.; Kurmude, D.V.; Shengule, D.R.; Jadhav, K.M.

    2015-01-01

    Highlights: • Co–Zn ferrite nanoparticles were examined before and after γ-irradiation. • Single phase cubic spinel structure of Co–Zn was confirmed by XRD data. • The grain size was reported in the range of 52–62 nm after γ-irradiation. • Ms, Hc, n B were reported to be increased after gamma irradiation. - Abstract: In this work, the structural and magnetic properties of Co 1−x Zn x Fe 2 O 4 (0.0 ≤ x ≤ 1.0) ferrite nanoparticles were studied before and after gamma irradiation. The as-synthesized samples of Co–Zn ferrite nanoparticles prepared by sol–gel auto-combustion technique were analysed by XRD which suggested the single phase; cubic spinel structure of the material. Crystal defects produced in the spinel lattice were studied before and after Co 60 γ-irradiation in a gamma cell with a dose rate of 0.1 Mrad/h in order to report the changes in structural and magnetic properties of the Co–Zn ferrite nanoparticles. The average crystallite size (t), lattice parameter (α) and other structural parameters of gamma-irradiated and un-irradiated Co 1−x Zn x Fe 2 O 4 spinel ferrite system was calculated from XRD data. The morphological characterizations were performed using scanning electron microscopy (SEM). The magnetic properties were measured using pulse field hysteresis loop tracer by applying magnetic field of 1000 Oe, and the analysis of data obtained revealed that the magnetic property such as saturation magnetization (Ms), coecivity (Hc), magneton number (n B ) etc. magnetic parameters were increased after irradiation

  13. Elasticity of some mantle crystal structures. I - Pleonaste and hercynite spinel.

    Science.gov (United States)

    Wang, H.; Simmons, G.

    1972-01-01

    The elasticity of high-pressure mantle phases can be characterized by using data for chemically similar crystal compounds. The single-crystal elastic constants are determined as a function of pressure and temperature for pleonaste spinel and at room conditions for hercynite spinel. The bulk modulus increases from 1.95 Mb for pleonaste spinel to 2.10 Mb for hercynite spinel. Low or negative values of the pressure derivatives of shear constants are characteristic of the spinel structure and imply a low kinetic barrier to phase transformations and diffusion. Compressional and shear velocities of the spinel phase of olivine are estimated as a function of mean atomic weight by using the pleonaste and hercynite data.

  14. Following the Amphibolite to Greenschist Metamorphic Path through the Structural Parameters of Spinels from Amsaga (Mauritania

    Directory of Open Access Journals (Sweden)

    Davide Lenaz

    2018-01-01

    Full Text Available We investigated the crystal and structural behavior of several Cr-bearing spinels from the Archean chromitites of Amsaga (Mauritania. The chemical and structural data testified a retrograde metamorphism from amphibolite to greenschist facies, witnessed by relative changes in the amount of all the major oxides (Cr, Al, Mg, Fe2+, Fe3+, the relative proportion of Fe3+/Fetot as well as the structural parameters, including the cell edge and the oxygen coordinate. The general agreement between electron microprobe and Mössbauer data indicates that the analyzed spinels are stoichiometric. The structural data revealed that the oxygen positional parameter of amphibole-bearing samples is the highest observed among Cr-bearing spinels with similar Cr# and Mg#. Consequently, it is suggested that a structural study of detrital Cr-spinels could be important in discriminating an amphibole-chromitite source from an ophiolite source.

  15. Compositional and structural variabilities of Mg-rich iron oxide spinels from tuffite

    Directory of Open Access Journals (Sweden)

    W. N. Mussel

    1999-12-01

    Full Text Available Maghemite (γFe2O3 from tuffite is exceptionally rich in Mg, relatively to most of those reportedly found in other mafic lithosystems. To investigate in detail the compositional and structural variabilities of this natural magnetic iron oxide, sets of crystals were isolated from samples collected at different positions in a tuffite weathering mantle. These sets of crystal were individually powdered and studied by X-ray diffractometry, Mössbauer spectroscopy, magnetization measurements and chemical analysis. Lattice parameter of the cubic cell (a0 was found to vary from 0.834(1 to 0.8412(1 nm. Lower a0-values are characteristic of maghemite whereas higher ones are related to a magnetite precursor. FeO content ranges up to 17 mass % and spontaneous magnetization ranges from 8 to 32 J T-1 kg-1. Zero-field room temperature Mössbauer spectra are rather complex, indicating that the hyperfine field distributions due to Fe3+ and mixed valence Fe3+/2+ overlap. The structural variabilities of the (Mg, Ti-rich iron oxide spinels is essentially related to the range of chemical composition of its precursor (Mg, Ti-rich magnetite, and probably to the extent to which it has been oxidized during transformation in soil.

  16. Znx-1CuxMn2O4 spinels; synthesis, structural characterization and electrical evaluation

    International Nuclear Information System (INIS)

    Mendez M, F.; Lima, E.; Bosch, P.; Pfeiffer, H.; Gonzalez, F.

    2010-01-01

    This work presents the structural characterization and electrical evaluation of Zn x-1 Cu x Mn 2 O 4 spinels, which are materials presented as secondary phases into the vari stor ceramic systems. Samples were analyzed by X-ray diffraction, solid-state nuclear magnetic resonance, infrared spectroscopy, scanning electron microscopy and impedance spectroscopy. Although, the addition of copper to the ZnMn 2 O 4 spinel did not produce morphological changes, the structure and electrical behaviors changed considerably. Structurally, copper addition induced the formation of partial inverse spinels, and its addition increases significantly the electrical conductivity. Therefore, the formation of Zn x-1 Cu x Mn 2 O 4 spinels, as secondary phases into the vari stor materials, may compromise significantly the vari stor efficiency. (Author)

  17. Topological Oxide Insulator in Cubic Perovskite Structure

    Science.gov (United States)

    Jin, Hosub; Rhim, Sonny H.; Im, Jino; Freeman, Arthur J.

    2013-01-01

    The emergence of topologically protected conducting states with the chiral spin texture is the most prominent feature at the surface of topological insulators. On the application side, large band gap and high resistivity to distinguish surface from bulk degrees of freedom should be guaranteed for the full usage of the surface states. Here, we suggest that the oxide cubic perovskite YBiO3, more than just an oxide, defines itself as a new three-dimensional topological insulator exhibiting both a large bulk band gap and a high resistivity. Based on first-principles calculations varying the spin-orbit coupling strength, the non-trivial band topology of YBiO3 is investigated, where the spin-orbit coupling of the Bi 6p orbital plays a crucial role. Taking the exquisite synthesis techniques in oxide electronics into account, YBiO3 can also be used to provide various interface configurations hosting exotic topological phenomena combined with other quantum phases. PMID:23575973

  18. The effect of bismuth on the structure, magnetic and electric properties of Co2MnO4 spinel multiferroic

    Science.gov (United States)

    Chouaya, H.; Smari, M.; Walha, I.; Dhahri, E.; Graça, M. P. F.; Valente, M. A.

    2018-04-01

    Mixed Co2Mn1-xBixO4 (x = 0, x = 0.05 and x = 0.1) samples were prepared by the sol-gel method using the citric acid route and characterized by various techniques. The X-ray diffraction (XRD) and Raman spectroscopic analyses confirmed the formation of inverse spinel cubic structure with Fd 3 ‾ m space group. The introduction of Bismuth (Bi) into Co2MnO4 did not modify the ferrimagnetic character of the parent compound Co2MnO4, whereas the field-cooled magnetizations MFC and the Curie temperature Tc decreased when increasing the Bi content. The electrical properties showed an activation energy (Ea) increase caused by the decrease of the double-exchange interaction following the substitution of Mn3+ by Bi3+. Eventually, the temperature coefficient of resistance (TCR) shows significant values for all samples can be investigated also as good candidates for bolometer applications.

  19. Structure and bonding in cubic IV-VI crystals. 1

    International Nuclear Information System (INIS)

    Enders, P.

    1983-01-01

    The inherent instability of the cubic structure of IV-VI compounds is considered. Alternatively to the work of Littlewood, the treatment bases on the LCAO method and relates to Harrison's approach as Littlewood's papers do to Phillips'-Van Vechten's one. First Harrison's polarity is calculated from Slater-Koster parameters due to Volkov and coworkers. It indicates predominantly covalent bonding character for the cubic IV-VI compounds. A comparison is given with Littlewood's treatment. The method of special points is used to calculate integral bonding properties. Chadi and Cohen's two point set is shown to be often equivalent to a ligand-field theoretical treatment. (author)

  20. Rietveld structure refinement and elastic properties of MgAlxCrxFe2-2xO4 spinel ferrites

    Science.gov (United States)

    Thummer, K. P.; Tanna, Ashish R.; Joshi, Hiren H.

    2017-05-01

    MgAlxCrxFe2-2xO4 (x = 0.1, 03 & 0.6) ferrites are synthesized by solid state reaction method. The Rietveld refinement of X-ray diffraction (XRD) data confirms the cubic spinel structure with Fd3m space group. The Fourier Transform Infrared Transmission Spectroscopy (FTIR) is employed to study elastic properties of present systems at 300K. The force constants for tetrahedral (A) and octahedral (B) sites of the spinel lattice are determined by infrared spectral and X-ray diffraction analysis. The elastic constants like bulk modulus, rigidity modulus, Young's modulus, Poisson's ratio and Debye temperature are determined. The vibrational frequency of both the interstitial sites increases as Al-Cr content increases hence the force constant and elastic moduli for all the samples are found to increase for the present ferrite system.

  1. High-pressure crystal structure investigation of synthetic Fe2SiO4 spinel

    DEFF Research Database (Denmark)

    Nestola, F.; Balic Zunic, Tonci; Koch-Müller, M.

    2011-01-01

    The crystal structure of Fe2SiO4 spinel at room temperature was investigated at seven different pressures by X-ray diffraction, using a diamond anvil cell to examine the influence of Fe substitution on ringwoodite behaviour at high pressure. The results compared with those of a pure Mg endmember...... show that the substitution of Fe into the spinel structure causes only small changes in the compression rate of coordination polyhedra and the distortion of the octahedron. The data show that the compression rate for the octahedron and tetrahedron in (Mg,Fe)2SiO4 can be considered statistically equal...

  2. Synthesis and structural characterization of defect spinels in the lithium-manganese-oxide system

    CSIR Research Space (South Africa)

    Thackeray, MM

    1993-10-01

    Full Text Available Lithium-manganese-oxides prepared at moderate temperatures are under investigation as insertion electrodes for rechargeable lithium batteries. The structures of two defect-spinel compounds synthesized by the reaction of MnCO3 and Li2CO3 at 400°C...

  3. Synthesis and structural characterization of defect spinels in the Lithium-Manganese-Oxide system

    CSIR Research Space (South Africa)

    Thackeray, MM

    1993-10-01

    Full Text Available Lithium-manganese-oxides prepared at moderate temperatures are under investigation as insertion electrodes for rechargeable lithium batteries. The structures of two defect-spinel compounds synthesised by the reaction of MnCO3 and Li2CO3 at 400...

  4. Highly Aminated Mesoporous Silica Nanoparticles with Cubic Pore Structure

    KAUST Repository

    Suteewong, Teeraporn

    2011-01-19

    Mesoporous silica with cubic symmetry has attracted interest from researchers for some time. Here, we present the room temperature synthesis of mesoporous silica nanoparticles possessing cubic Pm3n symmetry with very high molar ratios (>50%) of 3-aminopropyl triethoxysilane. The synthesis is robust allowing, for example, co-condensation of organic dyes without loss of structure. By means of pore expander molecules, the pore size can be enlarged from 2.7 to 5 nm, while particle size decreases. Adding pore expander and co-condensing fluorescent dyes in the same synthesis reduces average particle size further down to 100 nm. After PEGylation, such fluorescent aminated mesoporous silica nanoparticles are spontaneously taken up by cells as demonstrated by fluorescence microscopy.

  5. Topological Characterization of Carbon Graphite and Crystal Cubic Carbon Structures.

    Science.gov (United States)

    Siddiqui, Wei Gao Muhammad Kamran; Naeem, Muhammad; Rehman, Najma Abdul

    2017-09-07

    Graph theory is used for modeling, designing, analysis and understanding chemical structures or chemical networks and their properties. The molecular graph is a graph consisting of atoms called vertices and the chemical bond between atoms called edges. In this article, we study the chemical graphs of carbon graphite and crystal structure of cubic carbon. Moreover, we compute and give closed formulas of degree based additive topological indices, namely hyper-Zagreb index, first multiple and second multiple Zagreb indices, and first and second Zagreb polynomials.

  6. High resolution diffraction studies with synchrotron radiation on the structure of Li0.95Mn2.05O4 spinel

    International Nuclear Information System (INIS)

    Nowicki, W.; Darul, J.; Piszora, P.; Baehtz, C.; Wolska, E.

    2005-01-01

    Investigations of the structure transformations of lithium deficient Li 0.95 Mn 2.05 O 4 , in the temperature range of 10-1173 K, have been undertaken with X-ray powder diffraction, using synchrotron radiation, at the HASYLAB high-resolution diffractometer (beamline B2). Single phase spinel-like oxide was obtained by a solid state reaction between α-Mn 2 O 3 and Li 2 CO 3 at 1073 K, followed by rapid quenching of the sample in the solid CO 2 . At the room temperature, the lithium deficient sample (with x = 0.95 in Li x Mn 3-x O 4 ) shows a tetragonally distorted spinel lattice, with c/a = 0.98. No phase transition has been observed when temperature decreased and the sample remained tetragonal in the range 300-10 K. A reversible phase transition appears, however, during very mild heating of Li 0.95 Mn 2.05 O 4 above the room temperature. The tetragonal spinel structure (F4 1 /ddm) undergoes a transition into cubic form (Fd3m) at 393 K. A thermal treatment above 573 K causes a partial decomposition of the sample, resulting in a formation of a nearly stoichiometric LiMn 2 O 4 , with the admixture of manganese oxides

  7. Elucidation of structural, vibrational and dielectric properties of transition metal (Co2+) doped spinel Mg-Zn chromites

    Science.gov (United States)

    Choudhary, Pankaj; Varshney, Dinesh

    2018-05-01

    Co2+ doped Mg-Zn spinel chromite compositions Mg0.5Zn0.5-xCoxCr2O4 (0.0 ≤ x ≤ 0.5) have been synthesized by the high-temperature solid state method. Synchrotron and X-ray diffraction (XRD) studies show single-phase crystalline nature. The structural analysis is validated by Rietveld refinement confirms the cubic structure with space group Fd3m. Crystallite size is estimated from Synchrotron XRD which was found to be 30-34 nm. Energy dispersive analysis confirms stoichiometric Mg0.5Zn0.5-xCoxCr2O4 composition. Average crystallite size distribution is estimated from imaging software (Image - J) of SEM is in the range of 100-250 nm. Raman spectroscopy reveals four active phonon modes, and a pronounced red shift is due to enhanced Co2+ concentration. Increased Co2+ concentration in Mg-Zn chromites shows a prominent narrowing of band gap from 3.46 to 2.97 eV. The dielectric response is attributed to the interfacial polarization, and the electrical modulus study supports non-Debye type of dielectric relaxation. Ohmic junctions (minimum potential drop) at electrode interface are active at lower levels of doping (x rise to a low-frequency semicircle as evidenced from the complex impedance analysis. The low dielectric loss and high ac conductivity of Co2+ doped Mg-Zn spinel chromites are suitable for power transformer applications at high frequencies.

  8. Neutron structural characterization, inversion degree and transport properties of NiMn{sub 2}O{sub 4} spinel prepared by the hydroxide route

    Energy Technology Data Exchange (ETDEWEB)

    Sagua, A.; Lescano, Gabriela M. [Departamento de Química, Laboratorio de Fisicoquímica Inorgánica, Universidad Nacional del Sur, INQUISUR, 8000 Bahía Blanca (Argentina); Alonso, J.A., E-mail: jaalonso@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, C.S.I.C., Cantoblanco, E-28049 Madrid (Spain); Martínez-Coronado, R. [Instituto de Ciencia de Materiales de Madrid, C.S.I.C., Cantoblanco, E-28049 Madrid (Spain); Fernández-Díaz, M.T. [Institut Laue Langevin, BP 156X, Grenoble F-38042 (France); Morán, E. [Departamento de Química Inorgánica, Facultad de Ciencias Químicas, Universidad Complutense, 28040 Madrid (Spain)

    2012-06-15

    Graphical abstract: A pure specimen has been synthesized by the hydroxide route. This spinel, studied by NPD, shows an important inversion degree, λ = 0.80. A bond-valence study shows that the tetrahedral Mn ions are divalent whereas the octahedral Mn and Ni are slightly oxidized from the expected 3+ and 2+ values, respectively. The mixed valence Mn{sup 3+}/Mn{sup 4+} accounts for a hopping mechanism between adjacent octahedral sites, leading to a significant conductivity. Highlights: ► A low-temperature hydroxide route allowed preparing almost pure specimens of NiMn{sub 2}O{sub 4}. ► NPD essential to determine inversion degree; contrasting Ni and Mn for neutrons. ► Bond valence establishes valence state of octahedral and tetrahedral Ni and Mn ions. ► Thermal analysis, transport measurements complement characterization of this oxide. ► A structure–properties relationship is established. -- Abstract: The title compound has been synthesized by the hydroxide route. The crystal structure has been investigated at room temperature from high-resolution neutron powder diffraction (NPD) data. It crystallizes in a cubic spinel structure, space group Fd3{sup ¯}m, Z = 8, with a = 8.3940(2) Å at 295 K. The crystallographic formula is (Ni{sub 0.202(1)}Mn{sub 0.798(1)}){sub 8a}(Ni{sub 0.790(1)}Mn{sub 1.210(1)}){sub 16d}O{sub 4} where 8a and 16d stand for the tetrahedral and octahedral sites of the spinel structure, respectively. There is a significant inversion degree of the spinel structure, λ = 0.80. In fact, the variable parameter for the oxygen position, u = 0.2636(4), is far from that expected (u = 0.25) for normal spinels. From a bond-valence study, it seems that the valence distribution in NiMn{sub 2}O{sub 4} spinel is not as trivial as expected (Ni{sup 2+} and Mn{sup 3+}), but clearly the tetrahedral Mn ions are divalent whereas the octahedral Mn and Ni are slightly oxidized from the expected +3 and +2 values, respectively. The mixed valence observed at

  9. Determination of transition metal ion distribution in cubic spinel Co1.5Fe1.5O4 using anomalous x-ray diffraction

    Directory of Open Access Journals (Sweden)

    M. N. Singh

    2015-08-01

    Full Text Available We report anomalous x-ray diffraction studies on Co ferrite with composition Co1.5Fe1.5O4 to obtain the distribution of transition metal ions in tetrahedral and octahedral sites. We synthesize spinel oxide (Co1.5Fe1.5O4 through co-precipitation and subsequent annealing route. The imaginary part (absorption of the energy dependent anomalous form factor is measured and the real part is calculated theoretically through Kramers–Krönig transformation to analyze anomalous x-ray diffraction peak intensities. Fe and Co K-edge x-ray absorption near edge structure (XANES spectra are used to estimate charge states of transition metals. Our analysis, within experimental errors, suggests 44% of the tetrahedral sites contain Co in +2 oxidation state and the rest 56% sites contain Fe in +2 and +3 oxidation states. Similarly, 47% of the octahedral sites contain Fe in +3 oxidation states, whereas, the rest of the sites contain Co in +2 and +3 oxidation states. While a distinct pre-edge feature in the Fe K-edge XANES is observed, Co pre-edge remains featureless. Implications of these results to magnetism are briefly discussed.

  10. Spinel versus layered structures for lithium cobalt oxide synthesized at 400-degrees-c

    CSIR Research Space (South Africa)

    Gummow, RJ

    1993-03-01

    Full Text Available Rietveld refinements of X-ray data of LiCoO2 prepared at 400-degrees-C and a chemically-delithiated product Li0.5CoO2 using space group symmetries R3mBAR and Fd3m are reported. Refinements in both R3mBAR (layered-type structure) and Fd3m (spinel...

  11. Lattice vibrations of materials for lithium rechargeable batteries II. Lithium extraction-insertion in spinel structures

    International Nuclear Information System (INIS)

    Julien, C.M.; Camacho-Lopez, M.A.

    2004-01-01

    Lithiated spinel manganese oxides with various amounts of lithium have been prepared through solid-state reaction and electrochemical intercalation and deintercalation. Local structure of the samples are studied using Raman scattering and Fourier transform infrared spectroscopy. We report vibrational spectra of lithiated manganese oxides Li x Mn 2 O 4 as a function of lithium concentration in the range 0.1≤x≤2.0. Raman and Fourier transform infrared (FTIR) spectral results indicated multiple-phase reactions when the lithium content is modified in the spinel lattice. Lattice dynamics of lithiated spinel manganese oxides have been interpreted using either a classical factor-group analysis or a local environment model. The structural modifications have been studied on the basis of vibrations of LiO 4 tetrahedral and MnO 6 octahedral units when Li/Mn≤0.5, and LiO 4 , LiO 6 , and MnO 6 structural units when Li/Mn>0.5

  12. Order-disorder transitions of t2g-orbitals of V3+ ions and incommensurate structural deformations in the metallic spinel CuV2S4

    International Nuclear Information System (INIS)

    Hidaka, M.; Tokiwa, N.; Wijesundera, R.P.; Awaka, J.; Nagata, S.; Park, Young Jun; Lee, Ki Bong

    2007-01-01

    Structural transitions of the spinel CuV 2 S 4 have been studied by means of X-ray diffraction using synchrotron radiation. The temperature dependence of reflections forbidden in a cubic spinel structure of Fd3m suggests that there are order-disorder transitions of 3d 2 (t 2g ) orbitals of V 3+ ions at about 75 and 210 K. An incommensurate superlattice reflection of (2+3/4,2,2+3/4) shows the structural phase transition occurring at about 90 K, in addition to the superlattice structural modulation at about 30-35 and 55 K. A reduced wavevector q=(3/4-δ,0,3/4-δ) shows the temperature dependence of the δ value from 0.015 to -0.025. A lock-in of δ=0.0 and a crossover of the δ value occur in the region of 40 to 50 K. The incommensurate structural modulation along [110], [011], and [101] directions appearing below about 90 K affects a paramagnetic spin order of V 3+ ions at about 30-35 and 55 K, in addition to the 90 K structural transition. The paramagnetic behavior is interpreted mainly by the structural deformation and the (d xy ,d yz ,d zx ) orbitals in the VS 6 octahedral chains sited along [110], [011], and [101] directions. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Study of the crystallographic and magnetic properties of cubic manganite spinels NiMn{sub 2}O{sub 4}; Etude des proprietes cristallographiques et magnetiques des manganites spinelles cubiques NiMn{sub 2}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Boucher, B. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    We study the variation of the crystallographic properties (inversion degree, position parameters and short range order) of the cubic spinel Mn{sub {nu}}Ni{sub 1-{nu}}[Mn{sub 2{nu}}Ni{sub {nu}}]O{sub 4}, as a function of the thermal treatment applied to the sample. {nu} lies between 0. 74 and 0. 93; the slower the sample is cooled the more inverse it is. We show, in a molecular field theory, that a system of three magnetic sublattices can afford a 'star' configuration. We establish the conditions of stability of such a structure and its evolution as a function of temperature is foreseen. Neutron diffraction measurements show that the magnetic structure of NiMn{sub 2}O{sub 4} at 4.2 K is a 'star' configuration and that with increasing temperature it becomes a collinear structure in agreement with the theory. Furthermore, we find an anomaly in the value of specific heat at the transition temperature between 'star' and collinear structures. (author) [French] On etudie la variation des proprietes cristallographiques (inversion, parametre de position, ordre a courte distance) du spinelle cubique Mn{sub {nu}}Ni{sub 1-{nu}}[Mn{sub 2{nu}}Ni{sub {nu}}]O{sub 4}, en fonction du traitement thermique que subit l'echantillon, {nu} est compris entre 0,74 et 0,93; plus le corps est refroidi lentement, plus il est inverse. On montre, dans le cadre d'une theorie de champ moleculaire, qu'un systeme a trois sous-reseaux magnetiques peut presenter une configuration en ''etoile''. On etablit les conditions de stabilite d'une telle structure et on prevoit son evolution en fonction de la temperature. Les mesures de diffraction de neutrons montrent que la structure magnetique de NiMn{sub 2}O{sub 4} a 4,2 K est du type ''en etoile'' et qu'elle evolue en fonction de la temperature vers une structure colineaire comme le prevoit la theorie. De plus on observe une anomalie de chaleur specifique a la

  14. Structure and magnetism in the bond-frustrated spinel ZnC r2S e4

    Science.gov (United States)

    Zajdel, P.; Li, W.-Y.; van Beek, W.; Lappas, A.; Ziolkowska, A.; Jaskiewicz, S.; Stock, C.; Green, M. A.

    2017-04-01

    The crystal and magnetic structures of stoichiometric ZnC r2S e4 have been investigated using synchrotron x-ray and neutron powder diffraction, muon spin relaxation (μ SR ), and inelastic neutron scattering. Synchrotron x-ray diffraction shows a spin-lattice distortion from the cubic F d 3 ¯m spinel to a tetragonal I 41/a m d lattice below TN=21 K , where powder neutron diffraction confirms the formation of a helical magnetic structure with magnetic moment of 3.04 (3 ) μB at 1.5 K, close to that expected for high-spin C r3 + . μ SR measurements show prominent local spin correlations that are established at temperatures considerably higher (100 μ s-1) muon relaxation rates are suggestive of rapid site hopping of the muons in static field. Inelastic neutron scattering measurements show a gapless mode at an incommensurate propagation vector of k =[0 0 0.4648 (2 )] in the low-temperature magnetic ordered phase that extends to 0.8 meV. The dispersion is modeled by a two-parameter Hamiltonian, containing ferromagnetic nearest-neighbor and antiferromagnetic next-nearest-neighbor interactions with a Jn n n/Jn n=-0.337 .

  15. Structural Complexity of Layered-spinel Composite Electrodes for Li-ion Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Cabana, J.; Yang, X.; Johnson, C.S., Chung, K.-Y.; Yoon, W.-S.; Kang, S.-H.; Thackeray, M.M., Grey, C.P.

    2010-08-01

    The complexity of layered-spinel yLi{sub 2}MnO{sub 3} {center_dot} (1-y)Li{sub 1+x}Mn{sub 2-x}O{sub 4} (Li:Mn = 1.2:1; 0 = x = 0.33; y = 0.45) composites synthesized at different temperatures has been investigated by a combination of x-ray diffraction (XRD), x-ray absorption spectroscopy (XAS), and nuclear magnetic resonance (NMR). While the layered component does not change substantially between samples, an evolution of the spinel component from a high to a low lithium excess phase has been traced with temperature by comparing with data for pure Li{sub 1+x}Mn{sub 2-x}O{sub 4}. The changes that occur to the structure of the spinel component and to the average oxidation state of the manganese ions within the composite structure as lithium is electrochemically removed in a battery have been monitored using these techniques, in some cases in situ. Our 6Li NMR results constitute the first direct observation of lithium removal from Li{sub 2}MnO{sub 3} and the formation of LiMnO{sub 2} upon lithium reinsertion.

  16. Restitic or not? Insights from trace element content and crystal - Structure of spinels in African mantle xenoliths

    Science.gov (United States)

    Lenaz, Davide; Musco, Maria Elena; Petrelli, Maurizio; Caldeira, Rita; De Min, Angelo; Marzoli, Andrea; Mata, Joao; Perugini, Diego; Princivalle, Francesco; Boumehdi, Moulay Ahmed; Bensaid, Idris Ali Ahmadi; Youbi, Nasrrddine

    2017-05-01

    The lithospheric architecture of Africa consists of several Archean cratons and smaller cratonic fragments, stitched together and flanked by polycyclic fold belts. Here we investigate the structure and chemistry of spinels from lithospheric mantle xenoliths from distinct tectonic settings, i.e. from the Saharan metacraton in Libya (Waw-En-Namus) which could show archaic chemical features, Cameroon (Barombi Koto and Nyos Lakes) where the Sub Continental Lithospheric Mantle was modified during the Pan-African event and fluxed by asthenospheric melts of the Tertiary Cameroon Volcanic Line and Morocco (Tafraoute, Bou-Ibalrhatene maars) in the Middle Atlas where different metasomatic events have been recorded. From a structural point of view it is to notice that the Libyan spinels can be divided into two groups having different oxygen positional parameter (u > 0.2632 and u Morocco spinels show a Tc in the range 630-760 °C. About 150 different spinels have been studied for their trace element content and it can be seen that many of them are related to Cr content, while Zn and Co are not and clearly distinguish the occurrences. Differences in the trace element chemistry, in the structural parameters and in the intracrystalline closure temperatures suggest that a different history should be considered for Cameroon, Morocco and LB I and LB II spinels. Even if it was not considered for this purpose, we tentatively used the Fe2 +/Fe3 + vs. TiO2 diagram that discriminate between peridotitic and the so-called "magmatic" spinels, i.e. spinel crystallized from melts. LB I and LB II spinels plot in the peridotitic field while Cameroon and Morocco spinels fall in the magmatic one. Consequently, the xenoliths sampled from a probably juvenile SCLM at the edge of the most important lithospheric roots (i.e. Cameroon and Morocco) apparently have spinels possibly fractionated in situ from percolating melts and do not represent a real spinel-peridotite facies. On the contrary mantle

  17. Structural, magnetic and electrical properties of nickel doped Mn-Zn spinel ferrite synthesized by sol-gel method

    Energy Technology Data Exchange (ETDEWEB)

    Jalaiah, K., E-mail: kjalu4u@gmail.com [Department of Physics, Andhra University, Visakhapatnam 530003 (India); Vijaya Babu, K. [Advanced Analytical Laboratory, Andhra University, Visakhapatnam 530003 (India)

    2017-02-01

    Manganese ferrites (MnFe{sub 2}O{sub 4}) have been of great interest for their remarkable and soft-magnetic properties (low coercivity, moderate saturation magnetization) accompanied by good chemical stability and mechanical hardness. X-ray diffraction analysis confirmed the presence of single phase cubic spinel ferrite with space group Fm3m for all prepared samples. Structural parameters such as lattice constant, crystallite size were calculated from the studies of X-ray diffraction. The morphological analysis of all the compounds is studied using scanning electron microscope. The magnetic properties were measured using electron spin resonance (ESR) and vibrating sample magnetometer (VSM). The results obtained showed the formation of manganese ferrites with an average particle size are in good agreement with previous results and displayed good magnetic properties. The dielectric and impedance properties are studied over a frequency range 20 Hz–1 MHz at room temperature. - Highlights: • We prepared Mn{sub 0.85}Zn{sub 0.15}Ni{sub x}Fe{sub 2}O{sub 4} (x=0.03, 0.06, 0.09, 0.12 and 0.15) nano-ferrite materials by using sol-gel method. • All the compounds characterized by XRD, SEM, VSM, ESR and dielectric studies. • We get lower coercivity values. • We get good results from ESR spectra.

  18. New cubic structure compounds as actinide host phases

    Science.gov (United States)

    Stefanovsky, S. V.; Yudintsev, S. V.; Livshits, T. S.

    2010-03-01

    Various compounds with fluorite (cubic zirconia) and fluorite-derived (pyrochlore, zirconolite) structures are considered as promising actinide host phases at immobilization of actinide-bearing nuclear wastes. Recently some new cubic compounds — stannate and stannate-zirconate pyrochlores, murataite and related phases, and actinide-bearing garnet structure compounds were proposed as perspective matrices for complex actinide wastes. Zirconate pyrochlore (ideally Gd2Zr2O7) has excellent radiation resistance and high chemical durability but requires high temperatures (at least 1500 °C) to be produced by hot-pressing from sol-gel derived precursor. Partial Sn4+ substitution for Zr4+ reduces production temperature and the compounds REE2ZrSnO7 may be hot-pressed or cold pressed and sintered at ~1400 °C. Pyrochlore, A2B2O7-x (two-fold elementary fluorite unit cell), and murataite, A3B6C2O20-y (three-fold fluorite unit cell), are end-members of the polysomatic series consisting of the phases whose structures are built from alternating pyrochlore and murataite blocks (nano-sized modules) with seven- (2C/3C/2C), five- (2C/3C), eight- (3C/2C/3C) and three-fold (3C — murataite) fluorite unit cells. Actinide content in this series reduces in the row: 2C (pyrochlore) > 7C > 5C > 8C > 3C (murataite). Due to congruent melting murataite-based ceramics may be produced by melting and the firstly segregated phase at melt crystallization is that with the highest fraction of the pyrochlore modules in its structure. The melts containing up to 10 wt. % AnO2 (An = Th, U, Np, Pu) or REE/An fraction of HLW form at crystallization zoned grains composed sequentially of the 5C → 8C → 3C phases with the highest actinide concentration in the core and the lowest — in the rim of the grains. Radiation resistance of the "murataite" is comparable to titanate pyrochlores. One more promising actinide hosts are ferrites with garnet structure. The matrices containing sometime complex fluorite

  19. Unravelling the Structure and Electrochemical Performance of Li-Cr-Mn-O Cathodes: From Spinel to Layered.

    Science.gov (United States)

    Li, Xuelei; Li, Dan; Song, Dawei; Shi, Xixi; Tang, Xu; Zhang, Hongzhou; Zhang, Lianqi

    2018-03-14

    To explore a new series of cathode materials with high electrochemical performance, the spinel-layered (1 - x)[LiCrMnO 4 ]· x[Li 2 MnO 3 ·LiCrO 2 ] ( x = 0, 0.25, 0.5, 0.75, and 1) composites are synthesized with the sol-gel method. X-ray diffraction, high-resolution transmission electron microscopy, selected area electron diffraction, and Raman spectra reveal that the structure of the (1 - x)[LiCrMnO 4 ]· x[Li 2 MnO 3 ·LiCrO 2 ] cathode materials evolves from spinel to hybrid spinel-layered and layered structures with the increase of the Li concentration. Test results reveal that the structure and electrochemical performance of (1 - x)[LiCrMnO 4 ]· x[Li 2 MnO 3 ·LiCrO 2 ] ( x = 0.25, 0.5 and 0.75) composites have the characteristics of both spinel ( x = 0) and Li-rich layered phases ( x = 1). In particular, x = 0.5 and 0.75 electrodes exhibit relatively high capacity retention and rate capability, which is mainly ascribed to the synergistic effect of the spinel and Li-rich layered phases, the 3D Li-ion diffusion channels of the spinel phase, and the low charge-transfer resistance ( R ct ) and Warburg diffusion impedance ( W o ).

  20. Structural, electronic and magnetic properties of partially inverse spinel CoFe2O4: a first-principles study

    International Nuclear Information System (INIS)

    Hou, Y H; Liu, Z W; Yu, H Y; Zhong, X C; Qiu, W Q; Zeng, D C; Wen, L S; Zhao, Y J

    2010-01-01

    Partially inverse spinel CoFe 2 O 4 , which may be prepared through various heat treatments, differs remarkably from the ideal inverse spinel in many properties. The structure of partially inverse spinel CoFe 2 O 4 as well as its electronic and magnetic properties through a systemic theoretical calculation of (Co 1-x Fe x ) Tet (Co x Fe 2-x ) Oct O 4 (x = 0, 0.25, 0.5, 0.75 and 1.0) have been investigated by the generalized gradient approximation (GGA) + U approach. It is found that the Co and Fe ions prefer their high spin configurations with higher spin moments at octahedral sites in all the studied cases, in line with experimental observations. The Co ions at the octahedral sites favour being far away from each other in the partial inverse spinels, which also show half metallicity at certain inversion degrees.

  1. Evolution of the magnetic structure with chemical composition in spinel iron oxide nanoparticles.

    Science.gov (United States)

    Muscas, G; Yaacoub, N; Concas, G; Sayed, F; Sayed Hassan, R; Greneche, J M; Cannas, C; Musinu, A; Foglietti, V; Casciardi, S; Sangregorio, C; Peddis, D

    2015-08-28

    Magnetic properties of iron oxide nanoparticles with spinel structure are strictly related to a complex interplay between cationic distribution and the presence of a non-collinear spin structure (spin canting). With the aim to gain better insight into the effect of the magnetic structure on magnetic properties, in this paper we investigated a family of small crystalline ferrite nanoparticles of the formula CoxNi1-xFe2O4 (0 ≤x≤ 1) having equal size (≈4.5 nm) and spherical-like shape. The field dependence of magnetization at low temperatures indicated a clear increase of magnetocrystalline anisotropy and saturation magnetization (higher than the bulk value for CoFe2O4: ∼130 A m(2) kg(-1)) with the increase of cobalt content. The magnetic structure of nanoparticles has been investigated by Mössbauer spectroscopy under an intense magnetic field (8 T) at a low temperature (10 K). The magnetic properties have been explained in terms of an evolution of the magnetic structure with the increase of cobalt content. In addition a direct correlation between cationic distribution and spin canting has been proposed, explaining the presence of a noncollinear spin structure in terms of superexchange interaction energy produced by the average cationic distribution and vacancies in the spinel structure.

  2. Characterization, Microstructure, and Dielectric properties of cubic pyrochlore structural ceramics

    KAUST Repository

    Li, Yangyang

    2013-05-01

    The (BMN) bulk materials were sintered at 1050°C, 1100°C, 1150°C, 1200°C by the conventional ceramic process, and their microstructure and dielectric properties were investigated by Scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy, Transmission electron microscopy (TEM) (including the X-ray energy dispersive spectrometry EDS and high resolution transmission electron microscopy HRTEM) and dielectric impedance analyzer. We systematically investigated the structure, dielectric properties and voltage tunable property of the ceramics prepared at different sintering temperatures. The XRD patterns demonstrated that the synthesized BMN solid solutions had cubic phase pyrochlore-type structure when sintered at 1050°C or higher, and the lattice parameter (a) of the unit cell in BMN solid solution was calculated to be about 10.56Å. The vibrational peaks observed in the Raman spectra of BMN solid solutions also confirmed the cubic phase pyrochlore-type structure of the synthesized BMN. According to the Scanning Electron Microscope (SEM) images, the grain size increased with increasing sintering temperature. Additionally, it was shown that the densities of the BMN ceramic tablets vary with sintering temperature. The calculated theoretical density for the BMN ceramic tablets sintered at different temperatures is about 6.7521 . The density of the respective measured tablets is usually amounting more than 91% and 5 approaching a maximum value of 96.5% for sintering temperature of 1150°C. The microstructure was investigated by using Scanning Transmission Electron Microscope (STEM), X-ray diffraction (XRD). Combined with the results obtained from the STEM and XRD, the impact of sintering temperature on the macroscopic and microscopic structure was discussed. The relative dielectric constant ( ) and dielectric loss ( ) of the BMN solid solutions were measured to be 161-200 and (at room temperature and 100Hz-1MHz), respectively. The BMN solid

  3. Simple synthetic route to manganese-containing nanowires with the spinel crystal structure

    Science.gov (United States)

    Yu, Lei; Zhang, Yan; Hudak, Bethany M.; Wallace, Damon K.; Kim, Doo Young; Guiton, Beth S.

    2016-08-01

    This report describes a new route to synthesize single-crystalline manganese-containing spinel nanowires (NWs) by a two-step hydrothermal and solid-state synthesis. Interestingly, a nanowire or nanorod morphology is maintained during conversion from MnO2/MnOOH to CuMn2O4/Mg2MnO4, despite the massive structural rearrangement this must involve. Linear sweep voltammetry (LSV) curves of the products give preliminary demonstration that CuMn2O4 NWs are catalytically active towards the oxygen evolution reaction (OER) in alkaline solution, exhibiting five times the magnitude of current density found with pure carbon black.

  4. Transformation of hexagonal to mixed spinel crystal structure and magnetic properties of Co{sup 2+} substituted BaFe{sub 12}O{sub 19}

    Energy Technology Data Exchange (ETDEWEB)

    Chavan, Varsha C. [Department of Physics, Yashawantrao Chavan Mahavidyalaya, Tuljapur, MS (India); Shirsath, Sagar E. [Department of Physics, Vivekanand College, Aurangabad 431001, MS (India); Mane, Maheshkumar L., E-mail: mane.maheshkumar@hotmail.com [Department of Physics, S. G. R. G. Shinde Mahavidyalaya, Paranda 413502, MS (India); Kadam, R.H. [Materials Research Laboratory, Shrikrishna Mahavidyalaya, Gunjoti 413613, MS (India); More, Surendra S. [Department of Physics, Yashawantrao Chavan Mahavidyalaya, Tuljapur, MS (India)

    2016-01-15

    M-type barium hexaferrites Ba{sub 1−x}Co{sub x}Fe{sub 12}O{sub 19} (x=0.0–1.00 with steps of 0.25) were synthesized by sol–gel autocombination method and were post-annealed at relatively low temperature at 600 °C. The samples were characterized by X-ray diffraction, scanning electron microscopy, infrared spectroscopy and vibrating sample magnetometry. Crystal transformed from pure Ba-hexaferrite to spinel with Co{sup 2+} substitution. Results of scanning electron microscope show that the grains are regular and well-defined structured. Infrared spectra support the nature and crystal symmetry that obtained from X-ray diffraction pattern study. Magnetization results show that saturation magnetization and magneton number decreased whereas coercivity increased for x>0.50 Co{sup 2+} doping. - Highlights: • Co{sup 2+} substituted Ba hexaferrites. • Crystal structural transformation from hexagonal to cubic spinel. • Decrease in saturation magnetization and increase in coercivity with Co{sup 2+} substitution.

  5. Structural Rietveld refinement and vibrational study of MgCr{sub x}Fe{sub 2−x}O{sub 4} spinel ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Sabri, K. [Laboratoire des Sciences et technique de l’Environnement et de la Valorisation, département de Génie des Procédés, Université de Mostaganem, Mostaganem (Algeria); Rais, A., E-mail: amrais@yahoo.com [Laboratoire des Sciences et technique de l’Environnement et de la Valorisation, département de Génie des Procédés, Université de Mostaganem, Mostaganem (Algeria); Taibi, K. [Laboratoire de Science et Génie des Matériaux, USTHB, Alger, Algéria (Algeria); Moreau, M.; Ouddane, B. [Laboratory of LASIR Spectrochemistry, University of Science and Technology, 59650 Villeneuve d’Ascq (France); Addou, A. [Laboratoire des Sciences et technique de l’Environnement et de la Valorisation, département de Génie des Procédés, Université de Mostaganem, Mostaganem (Algeria)

    2016-11-15

    Spinel ferrites with the general formula MgCr{sub x}Fe{sub 2−x}O{sub 4} (0≤x≤1) were synthesized by the standard ceramic technique and characterized by X-ray diffraction. The XRD patterns confirmed that the mixed ferrite samples are in the cubic spinel structure which is further validated by Rietveld refinement in the space group Fd3m. The crystal structure and cell parameters were refined by Rietveld analysis. The vibrational study was achieved using Fourier Transform-InfraRed (FT-IR) and Raman spectroscopy. From FT-IR band frequencies, the force constants K{sub t} and K{sub o} , for tetrahedral (A) and octahedral (B) sites respectively, have been calculated and discussed with the trend of bond lengths obtained from Rietveld refinement. For all compositions, Raman spectra revealed the five active modes showing the vibration of O{sup 2−} ions at both the A-site and B-site ions. The frequencies trend with chromium content of both FT-IR and Raman spectra showed a shift toward higher values for all modes.

  6. Simple synthetic route to manganese-containing nanowires with the spinel crystal structure

    International Nuclear Information System (INIS)

    Yu, Lei; Zhang, Yan; Hudak, Bethany M.; Wallace, Damon K.; Kim, Doo Young; Guiton, Beth S.

    2016-01-01

    This report describes a new route to synthesize single-crystalline manganese-containing spinel nanowires (NWs) by a two-step hydrothermal and solid-state synthesis. Interestingly, a nanowire or nanorod morphology is maintained during conversion from MnO 2 /MnOOH to CuMn 2 O 4 /Mg 2 MnO 4 , despite the massive structural rearrangement this must involve. Linear sweep voltammetry (LSV) curves of the products give preliminary demonstration that CuMn 2 O 4 NWs are catalytically active towards the oxygen evolution reaction (OER) in alkaline solution, exhibiting five times the magnitude of current density found with pure carbon black. - Highlights: • Synthesis of single-crystalline manganese-containing spinel nanowires. • Binary oxide nanowire converted to ternary oxide wire through solid state reaction. • Approach to structure conversion with shape retention could be generally applicable. • Copper and Manganese display multiple oxidation states with potential for catalysis. • CuMn 2 O 4 nanowires show promise as catalysts for the oxygen evolution reaction.

  7. Defect structure of cubic solid solutions of alkaline earth and rare earth fluorides

    NARCIS (Netherlands)

    DenHartog, HW

    1996-01-01

    In this paper we will consider the disorder in some cubic solid solutions consisting of one of the alkaline earth fluorides and one of the rare earth fluorides. This is an attractive group of model materials, because these materials have a rather simple overall cubic structure. We will discuss the

  8. Solution-combustion synthesized aluminium-doped spinel (LiAl(subx)Mn(sub2-x)O(sub4) as a high-performance lithium-ion battery cathode material

    CSIR Research Space (South Africa)

    Kebede, MA

    2015-06-01

    Full Text Available High-performing (LiAl(subx)Mn(sub2-x)O(sub4) (x = 0, 0.125, 0.25, 0.375, and 0.5) spinel cathode materials for lithium-ion battery were developed using a solution combustion method. The as-synthesized cathode materials have spinel cubic structure...

  9. Structure of spinel at high temperature using in-situ XANES study at the Al and Mg K-edge

    Energy Technology Data Exchange (ETDEWEB)

    Ligny, D de [Universite Claude Bernard Lyon 1, LPCML, 69622 Villeurbanne (France); Neuville, D R [Physique des Mineraux et Magmas, Geochimie-Cosmochimie, CNRS-IPGP, 4 place Jussieu, 75005 Paris (France); Flank, A-M; Lagarde, P, E-mail: deligny@pcml.univ-lyon1.f [Synchrotron SOLEIL, L' Orme des Merisiers, Saint Aubin, 91192 France (France)

    2009-11-15

    We present structural information obtained on spinel at high temperature (298-2400 K) using in situ XANES at the Mg and Al K-edge. Spinel, {sup [4]}(Al{sub x},Mg{sub 1-x}){sup [6]}(Al{sub 2-x},Mg{sub x})O{sub 4}, with increasing temperature, show a substitution of Mg by Al and Al by Mg in their respective sites. This substitution corresponds to an inversion of the Mg and Al sites. Furthermore, both experiments at the Al and Mg K-edges are in good agreement with XANES calculation made using FDMNES code.

  10. Effect of d-block element Co{sup 2+} substitution on structural, Mössbauer and dielectric properties of spinel copper ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Dar, M.A.; Varshney, Dinesh, E-mail: vdinesh33@rediffmail.com

    2017-08-15

    Highlights: • Tetragonal (I41/amd) to cubic (Fd3m) phase change is observed in Cu{sub 1−x}Co{sub x}Fe{sub 2}O{sub 4}. • Raman studies reveal 2 (5) optical active modes in CuFe{sub 2}O{sub 4} and 5 (5) at room temperature. • Transmission Mössbauer spectroscopy discerns two sets of six-line hyperfine patterns. • The dielectric constant increases is maximum for Co{sup 2+}x = 0.1 composition. • ac conductivity is constant (low frequency) and increases abruptly (high frequency). - Abstract: The present work focuses on the influence of replacement of d-block element Cu{sup 2+} ion by Co{sup 2+} in Cu-spinel ferrites [Cu{sub 1−x}Co{sub x}Fe{sub 2}O{sub 4} (x = 0.0, 0.1, 0.2, 0.4, 0.6, and 1.0)] on the structural, vibrational and dielectric properties as synthesized by Solid-state reaction route. A structural transition from tetragonal (space group I41/amd)) to cubic (space group Fd3m) phase is observed due to introduction of cobalt. Cubic spinel- type structure at room temperature of Cu{sub 1−x}Co{sub x}Fe{sub 2}O{sub 4} (0.4 ≤ x ≤ 1.0) is confirmed by Rietveld – refined X-ray powder diffraction patterns. Raman spectroscopic studies reveal 2 (5) optical active modes in CuFe{sub 2}O{sub 4} (CoFe{sub 2}O{sub 4}) at room temperature. Transmission Mössbauer spectroscopy of Cu{sub 1−x}Co{sub x}Fe{sub 2}O{sub 4} (x = 0.0, 0.2 and 0.6) shows two sets of six-line hyperfine patterns for all the three samples, indicating the presence of Fe in both A and B sites. Identification of sites is accomplished by evidence from hyperfine distribution and isomer-shift data. Dielectric constant and dielectric loss tangent measured in the frequency range from 1 KHz to 1 MHz at room temperature are found to be decreasing with the increase in frequency.

  11. Use of the Primitive Unit Cell in Understanding Subtle Features of the Cubic Closest-Packed Structure

    Science.gov (United States)

    Hawkins, John A.; Rittenhouse, Jeffrey L.; Soper, Linda M.; Rittenhouse, Robert C.

    2008-01-01

    One of the most important crystal structures adopted by metals is characterized by the "abcabc"...stacking of close-packed layers. This structure is commonly referred to in textbooks as the cubic close-packed (ccp) or face-centered cubic (fcc) structure, since the entire lattice can be generated by replication of a face-centered cubic unit cell…

  12. Structural study on cubic-tetragonal transition of CH3NH3PbI3

    International Nuclear Information System (INIS)

    Kawamura, Yukihiko; Mashiyama, Hiroyuki; Hasebe, Katsuhiko

    2002-01-01

    The cubic-tetragonal phase transition of CH 3 NH 3 PbI 3 was investigated by single crystal X-ray diffractometry. The crystal structure was refined at five temperatures in the tetragonal phase. The PbI 6 octahedron rotates around the c-axis alternatively to construct the SrTiO 3 -type tetragonal structure. A methylammonium ion is partially ordered; 24 disordered states in the cubic phase are reduced to 8. With decreasing temperature, the rotation angle of the octahedron increases monotonically, which indicates it is an order parameter of the cubic-tetragonal transition. (author)

  13. Electronic structure and band alignment at an epitaxial spinel/perovskite heterojunction.

    Science.gov (United States)

    Qiao, Liang; Li, Wei; Xiao, Haiyan; Meyer, Harry M; Liang, Xuelei; Nguyen, N V; Weber, William J; Biegalski, Michael D

    2014-08-27

    The electronic properties of solid-solid interfaces play critical roles in a variety of technological applications. Recent advances of film epitaxy and characterization techniques have demonstrated a wealth of exotic phenomena at interfaces of oxide materials, which are critically dependent on the alignment of their energy bands across the interface. Here we report a combined photoemission and electrical investigation of the electronic structures across a prototypical spinel/perovskite heterojunction. Energy-level band alignment at an epitaxial Co3O4/SrTiO3(001) heterointerface indicates a chemically abrupt, type I heterojunction without detectable band bending at both the film and substrate. The unexpected band alignment for this typical p-type semiconductor on SrTiO3 is attributed to its intrinsic d-d interband excitation, which significantly narrows the fundamental band gap between the top of the valence band and the bottom of the conduction band. The formation of the type I heterojunction with a flat-band state results in a simultaneous confinement of both electrons and holes inside the Co3O4 layer, thus rendering the epitaxial Co3O4/SrTiO3(001) heterostructure to be a very promising material for high-efficiency luminescence and optoelectronic device applications.

  14. Structural, Optical, and Magnetic Characterization of Spinel Zinc Chromite Nanocrystallines Synthesised by Thermal Treatment Method

    Directory of Open Access Journals (Sweden)

    Salahudeen A. Gene

    2014-01-01

    Full Text Available The present study reports the structural and magnetic characterization of spinel zinc chromite (ZnCr2O4 nanocrystallines synthesized by thermal treatment method. The samples were calcined at different temperatures in the range of 773 to 973 K. Polyvinylpyrrolidone was used to control the agglomeration of the nanoparticles. The average particle size of the synthesized nanocrystals was determined by powder X-ray diffraction which shows that the crystallite size increases from 19 nm at 773 K to 24 nm at 973 K and the result was in good agreement with the transmission electron microscopy images. The elemental composition of the samples was determined by energy dispersed X-ray spectroscopy which confirmed the presence of Zn, Cr, and O in the final products. Fourier transform infrared spectroscopy also confirmed the presence of metal oxide bands for all the samples calcined at different temperature. The band gap energy was calculated from UV-vis reflectance spectra using the Kubelka-Munk function and the band gap energy of the samples was found to decrease from 4.03 eV at 773 K to 3.89 eV at 973 K. The magnetic properties were also demonstrated by electron spin resonance spectroscopy, the presence of unpaired electrons was confirmed, and the resonant magnetic field and the g-factor of the calcined samples were also studied.

  15. Geometrical structure factors of the crystal-field coefficients in ionic and metallic cubic compounds

    International Nuclear Information System (INIS)

    Adam, S.; Adam, G.; Corciovei, A.

    1977-01-01

    The crystal-field Hamiltonian for cubic compounds is brought into the standard form of the crystal-field theory by a general symmetrization technique which uses point group considerations only. The obtained crystal-field coefficients are expressed as products between those given by Hutchings and some geometrical structure factors, which include the relative contribution of all the neighbouring ions to the crystal-field. Assuming point charges in vacuum, numerical values are reported for the geometrical structure factors of several cubic structures and significant departures from Hutchings' results are found in some cases. Then, the screening effect of the conduction electrons in cubic metallic structures is investigated supposing a screened Coulomb interionic potential. (author)

  16. Chemical composition, crystal structure, and their relationships with the intrinsic properties of spinel-type crystals based on bond valences.

    Science.gov (United States)

    Liu, Xiao; Wang, Hao; Lavina, Barbara; Tu, Bingtian; Wang, Weimin; Fu, Zhengyi

    2014-06-16

    Spinel-type crystals may possess complex and versatile chemical composition and crystal structure, which leads to difficulty in constructing relationships among the chemical composition, crystal structure, and intrinsic properties. In this work, we develop new empirical methods based on bond valences to estimate the intrinsic properties, namely, compressibility and thermal expansion of complex spinel-type crystals. The composition-weighted average of bond force constants in tetrahedral and octahedral coordination polyhedra is derived as a function of the composition-weighted average of bond valences, which can be calculated according to the experimental chemical composition and crystal structural parameters. We discuss the coupled effects of tetrahedral and octahedral frameworks on the aforementioned intrinsic properties. The bulk modulus could be quantitatively calculated from the composition-weighted average of bond force constants in tetrahedral and octahedral coordination polyhedra. In contrast, a quantitative estimation of the thermal expansion coefficient could be obtained from the composition-weighted average of bond force constants in octahedral coordination polyhedra. These empirical methods have been validated by the results obtained for a new complex quaternary spinel-type oxynitride Mg0.268Al2.577O3.733N0.267 as well as MgAl2O4 and Al2.85O3.45N0.55 from the literature. Further, these empirical methods have the potential to be extensively applied in other types of complex crystals.

  17. Zn{sub x-1}Cu{sub x}Mn{sub 2}O{sub 4} spinels; synthesis, structural characterization and electrical evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Mendez M, F.; Lima, E.; Bosch, P.; Pfeiffer, H. [UNAM, Instituto de Investigaciones en Materiales, Circuito Exterior, Ciudad Universitaria, 04510 Mexico D. F. (Mexico); Gonzalez, F., E-mail: pfeiffer@iim.unam.m [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Av. San Rafael Atlixco No. 186, Col. Vicentina, 09340 Mexico D. F. (Mexico)

    2010-07-01

    This work presents the structural characterization and electrical evaluation of Zn{sub x-1}Cu{sub x}Mn{sub 2}O{sub 4} spinels, which are materials presented as secondary phases into the vari stor ceramic systems. Samples were analyzed by X-ray diffraction, solid-state nuclear magnetic resonance, infrared spectroscopy, scanning electron microscopy and impedance spectroscopy. Although, the addition of copper to the ZnMn{sub 2}O{sub 4} spinel did not produce morphological changes, the structure and electrical behaviors changed considerably. Structurally, copper addition induced the formation of partial inverse spinels, and its addition increases significantly the electrical conductivity. Therefore, the formation of Zn{sub x-1}Cu{sub x}Mn{sub 2}O{sub 4} spinels, as secondary phases into the vari stor materials, may compromise significantly the vari stor efficiency. (Author)

  18. On the dynamic Stability of a quadratic-cubic elastic model structure ...

    African Journals Online (AJOL)

    The main substance of this investigation is the determination of the dynamic buckling load of an imperfect quadratic-cubic elastic model structure , which ,in itself, is a Mathematical generalization of some of the many physical structures normally encountered in engineering practice and allied fields. The load function in ...

  19. Structure change of alumina castable by adding magnesia or spinel; Maguneshia matawa supineru no tenka ni yoru arumina kei kyasutaburu no soshiki henka

    Energy Technology Data Exchange (ETDEWEB)

    Mori, J.; Onoue, M.; Toritani, Y.; Tanaka, S. [Kawasaki Refractories Co. Ltd., Hyogo (Japan)

    1995-01-10

    Alumina-spinel castable is developed as the refractory for lining ladles, and compared with the existing refractory its durability is greatly raised. This material is obtained by adding spinel to alumina base, and besides improvement of the slag penetration resistance it is likely to reduce the structure spoiling. To solve this problem, alumina castable added by magnesia draws much attention recently. Although alumina-spinel and alumina-magnesia are both castables with Al2O3, MgO as their main compositions, and their whole chemical compositions are almost the same, the durability of alumina-magnesia is sometimes much better according to the applying conditions. In this study, the structure change of alumina castable by adding magnesia or spinel was investigated, and the reason of the influence on the durability was studied. 6 refs., 6 figs., 1 tab.

  20. Magnetism of the ball-milled spinel Zn Fe2 O4

    International Nuclear Information System (INIS)

    Ehrhardt, H.; Campbell, S.J.; Hofmann, M.

    2002-01-01

    Full text:In materials science, oxide spinels play an important technological role with numerous applications due to their fundamental magnetic characteristics. With the spinel crystal structure being an approximately close-packed face-centered cubic array of anions with holes partly filled by the cations, the structure can generally be described by the formula (A)[B 2 ]O 4 where A and B denote divalent and trivalent cations, respectively. In the case of a normal spinel, all of the A atoms are tetrahedrally coordinated while the B atoms are octahedrally coordinated by oxygen atoms; in the case of an inverse spinel, the A atoms occupy half of the B sites. With Fe representing the B atoms, normal spinels are commonly found to order antiferromagnetically whereas they show ferrimagnetic behaviour in the case of an inverse spinel below the transition temperature. However, natural spinels often emerge with other than purely normal or purely inverse distributions of cations. The site occupation can then be represented by (A 1-c B c )[A c B 2-c ]O 4 where c is the inversion parameter (O 2 O 4 , which occurs as a purely normal spinel in its natural state of matter, has been investigated as a model system. Treated by milling, zinc ferrite exhibits a systematic transition from its normal structure towards the inverse counterpart. In particular an increase in c value is observed with increasing milling time along with a decrease of the average particle size as determined by X-ray diffraction. Moessbauer spectroscopy and temperature-dependent neutron diffraction on an extended series of ball-milled samples allow a detailed characterization of the magnetic behaviour as a function of the microstructure. The comprehensive set of results will be discussed with respect to theoretical predictions of the magnetism of spinels in relation to their degree of inversion

  1. Influence of a hydrostatic pressure on the diffusion in metals having a cubic structure

    International Nuclear Information System (INIS)

    Beyeler, M.

    1969-01-01

    In view of obtaining informations on the structure of vacancies. We have determined, by diffusion experiments under high pressure, the activation volumes for self diffusion in different face centered cubic metals: silver, gold, copper, aluminium and in body centered cubic uranium (gamma phase). Activation volumes for noble metals diffusion in aluminium have also been investigated. The experimental results on gold, silver and copper are in good agreement with most of the theoretical models. The estimated activation volume for gamma uranium seems to indicate a vacancy mechanism.The results on aluminium for both self and impurity diffusion agree quite well with Friedel's theoretical predictions [fr

  2. On the structure of critical energy levels for the cubic focusing NLS on star graphs

    International Nuclear Information System (INIS)

    Adami, Riccardo; Noja, Diego; Cacciapuoti, Claudio; Finco, Domenico

    2012-01-01

    We provide information on a non-trivial structure of phase space of the cubic nonlinear Schrödinger (NLS) on a three-edge star graph. We prove that, in contrast to the case of the standard NLS on the line, the energy associated with the cubic focusing Schrödinger equation on the three-edge star graph with a free (Kirchhoff) vertex does not attain a minimum value on any sphere of constant L 2 -norm. We moreover show that the only stationary state with prescribed L 2 -norm is indeed a saddle point. (fast track communication)

  3. A note on the prolongation structure of the cubically nonlinear integrable Camassa-Holm type equation

    Energy Technology Data Exchange (ETDEWEB)

    Stalin, S. [Centre for Nonlinear Dynamics, School of Physics, Bharathidasan University, Tiruchirappalli 620024, Tamil Nadu (India); Senthilvelan, M., E-mail: velan@cnld.bdu.ac.in [Centre for Nonlinear Dynamics, School of Physics, Bharathidasan University, Tiruchirappalli 620024, Tamil Nadu (India)

    2011-10-17

    In this Letter, we formulate an exterior differential system for the newly discovered cubically nonlinear integrable Camassa-Holm type equation. From the exterior differential system we establish the integrability of this equation. We then study Cartan prolongation structure of this equation. We also discuss the method of identifying conservation laws and Baecklund transformation for this equation from the identified exterior differential system. -- Highlights: → An exterior differential system for a cubic nonlinear integrable equation is given. → The conservation laws from the exterior differential system is derived. → The Baecklund transformation from the Cartan-Ehresmann connection is obtained.

  4. Structural, Magnetic, and Electronic Properties of Mixed Spinel NiFe2-xCrxO4Nanoparticles Synthesized by Chemical Combustion.

    Science.gov (United States)

    Lyubutin, Igor S; Lin, Chun-Rong; Starchikov, Sergey S; Baskakov, Arseniy O; Gervits, Natalia E; Funtov, Konstantin O; Tseng, Yaw-Teng; Lee, Wen-Jen; Shih, Kun-Yauh; Lee, Jiann-Shing

    2017-10-16

    A series of nickel-chromium-ferrite NiFe 2-x Cr x O 4 (with x = 1.25) nanoparticles (NPs) with a cubic spinel structure and with size d ranging from 1.6 to 47.7 nm was synthesized by the solution combustion method. A dual structure of all phonon modes revealed in Raman spectra is associated with metal cations of different types present in the spinel lattice sites. Mössbauer spectra of small NPs exhibit superparamagnetic behavior. However, the transition into the paramagnetic state occurs at a temperature that is unusually high for small particles (T N is about 240 K in the d = 4.5 nm NPs). The larger NPs with d > 20 nm do not exhibit superparamagnetic properties up to the Neel temperature. From the magnetic and Mössbauer data, the cation occupation of the tetrahedral (A) and octahedral [B] sites was determined (Fe 0.75 Ni 0.25 )[Ni 0.75 Cr 1.25 ]O 4 . The saturation magnetization M S in the largest NPs is about (0.98-0.95) μ B , which is more than twice higher the value in bulk ferrite (Fe)[CrNi]O 4 . At low temperatures the total magnetic moment of the ferrite coincides with the direction of the B-sublattice moment. In the NPs with d > 20 nm, the compensation of the magnetic moments of A- and B-sublattices was revealed at about T com = 360-365 K. This value significantly exceeds the point T com in bulk ferrites NiFe x Cr 2-x O 4 (about 315 K) with the similar Cr concentration. However, in the smaller NPs NiFe 0.75 Cr 1.25 O 4 with d ≤ 11.7 nm, the compensation effect does not occur. The magnetic anomalies are explained in terms of highly frustrated magnetic ordering in the B sublattice, which appears due to the competition of AFM and FM exchange interactions and results in a canted magnetic structure.

  5. Structural and magnetic properties of Li-Cu mixed spinel ferrites

    Science.gov (United States)

    Manjura Hoque, S.; Samir Ullah, M.; Khan, F. A.; Hakim, M. A.; Saha, D. K.

    2011-04-01

    Li0.5-x/2CuxFe2.5-x/2O4 (where x=0.0-1.0) ferrites have been prepared by solid-state reaction. X-ray diffraction was used to study the structure of the above investigated ferrites at various sintering temperatures. Samples were sintered at 1000, 1100 and 1200 °C for 3 h in the atmosphere. For the sintering temperature of 1000 °C, Li0.5-x/2CuxFe2.5-x/2O4 undergoes cubic to tetragonal transformation for higher Cu content. However, for the sintering temperature of 1100 and 1200 °C, X-ray diffraction patterns are mainly characterized by fcc structure, though presence of tetragonal distortion was found by other temperature dependence of initial permeability curves. The lattice parameter, X-ray density and bulk density were calculated for different compositions. Curie temperature was measured from the temperature dependence of initial permeability curves. Curie temperatures of Li-Cu mixed ferrites were found to decrease with the increase in Cu2+ content due to the reduction of A-B interaction. As mentioned earlier, temperature dependence of initial permeability curves was characterized by tetragonal deformation for the samples containing higher at% of Cu. The complex initial permeability has been studied for different samples. The B-H loops were measured at constant frequency, f=1200 Hz, at room temperature (298 K). Coercivity and hysteresis loss were estimated for different Cu contents.

  6. Structural and optoelectronic properties of cubic perovskite RbPbF3

    Indian Academy of Sciences (India)

    3.1 Structural properties. The total energy per unit cell of RbPbF3 in the cubic perovskite structure is shown in figure 1. The volume vs energy is fitted by the Birch–Murnaghan equation of state. (Murnaghan 1944). From this fit, we can get the equilibrium lattice constant (a0), bulk modlus (B0) and pressure derivate of the bulk ...

  7. Stretched-to-compressed-exponential crossover observed in the electrical degradation kinetics of some spinel-metallic screen-printed structures

    Science.gov (United States)

    Balitska, V.; Shpotyuk, O.; Brunner, M.; Hadzaman, I.

    2018-02-01

    Thermally-induced (170 °C) degradation-relaxation kinetics is examined in screen-printed structures composed of spinel Cu0.1Ni0.1Co1.6Mn1.2O4 ceramics with conductive Ag or Ag-Pd layered electrodes. Structural inhomogeneities due to Ag and Ag-Pd diffusants in spinel phase environment play a decisive role in non-exponential kinetics of negative relative resistance drift. If Ag migration in spinel is inhibited by Pd addition due to Ag-Pd alloy, the kinetics attains stretched exponential behavior with ∼0.58 exponent, typical for one-stage diffusion in structurally-dispersive media. Under deep Ag penetration into spinel ceramics, as for thick films with Ag-layered electrodes, the degradation kinetics drastically changes, attaining features of two-step diffusing process governed by compressed-exponential dependence with power index of ∼1.68. Crossover from stretched- to compressed-exponential kinetics in spinel-metallic structures is mapped on free energy landscape of non-barrier multi-well system under strong perturbation from equilibrium, showing transition with a character downhill scenario resulting in faster than exponential decaying.

  8. Magnetostructural and magnetodielectric coupling in spinel oxides

    Science.gov (United States)

    Kemei, Moureen Chemurgor

    Spinels oxides are of great interest functionally as multiferroic, battery, and magnetic materials as well as fundamentally because they exhibit novel spin, structural, and orbital ground states. Competing interactions are at the heart of novel functional behavior in spinels. Here, we explore the intricate landscape of spin, lattice, and orbital interactions in magnetic spinels by employing variable-temperature high-resolution synchrotron x-ray powder diffraction, total neutron scattering, magnetic susceptibility, dielectric, and heat capacity measurements. We show that the onset of long-range magnetic interactions often gives rise to lattice distortions. We present the complete crystallographic descriptions of the ground state structures of several spinels, thereby paving the way for accurate modeling and design of structure-property relationships in these materials. We also report the emergence of magnetodielectric coupling in the magnetostructural phases of some of the studied spinels. We begin by examining spin-lattice coupling in the Jahn-Teller active systems NiCr2O4 and CuCr2O4. Orbital ordering yields a cubic to tetragonal lattice distortion in these materials above their magnetic ordering temperatures, however, we find that magnetic ordering also drives structural distortions in these spinels through exchange striction. We provide the first orthorhombic structural descriptions of NiCr 2O4 and CuCr2O4. Our observation of strong spin-lattice coupling in NiCr2O4 and CuCr 2O4 inspired the study of magnetodielectric coupling in these spinels. Magnetocapacitance measurements of NiCr2O4 reveal multiferroic behavior and new magnetostructural distortions below the Neel temperature. This observation illustrates the sensitivity of dielectric measurements to magnetostructural transitions in spinel materials. Finally, in the examination of NiCr2O4 we show that magnetodielectric coupling is well described by Ginzburg-Landau theory. In addition to exchange striction

  9. Electronic and optical properties of spinel zinc ferrite: ab initio hybrid functional calculations

    Science.gov (United States)

    Fritsch, Daniel

    2018-03-01

    Spinel ferrites in general show a rich interplay of structural, electronic, and magnetic properties. Here, we particularly focus on zinc ferrite (ZFO), which has been observed experimentally to crystallise in the cubic normal spinel structure. However, its magnetic ground state is still under dispute. In addition, some unusual magnetic properties in ZFO thin films or nanostructures have been explained by a possible partial cation inversion and a different magnetic interaction between the two cation sublattices of the spinel structure compared to the crystalline bulk material. Here, density functional theory has been applied to investigate the influence of different inversion degrees and magnetic couplings among the cation sublattices on the structural, electronic, magnetic, and optical properties. Effects of exchange and correlation have been modelled using the generalised gradient approximation (GGA) together with the Hubbard ‘+U’ parameter, and the more elaborate hybrid functional PBE0. While the GGA+U calculations yield an antiferromagnetically coupled normal spinel structure as the ground state, in the PBE0 calculations the ferromagnetically coupled normal spinel is energetically slightly favoured, and the hybrid functional calculations perform much better with respect to structural, electronic and optical properties.

  10. Structural, magnetic, elastic, dielectric and electrical properties of hot-press sintered Co1-xZnxFe2O4 (x = 0.0, 0.5) spinel ferrite nanoparticles

    Science.gov (United States)

    Singh Yadav, Raghvendra; Kuřitka, Ivo; Havlica, Jaromir; Hnatko, Miroslav; Alexander, Cigáň; Masilko, Jiri; Kalina, Lukas; Hajdúchová, Miroslava; Rusnak, Jaroslav; Enev, Vojtěch

    2018-02-01

    In this article, Co1-xZnxFe2O4 (x = 0.0 and 0.5) disc-shaped pellets were formed by hot-press sintering of nanoparticles at temperature 925 °C for 10 min in vacuum atmosphere under 30 MPa mechanical pressure. X-ray diffraction study confirmed the formation of spinel cubic ferrite structure of hot-press sintered spinel ferrite Co1-xZnxFe2O4 (x = 0.0 and 0.5) samples. The scanning electron microscopy image indicated that the growth and densification of smaller ferrite nanoparticles were higher than larger ferrite nanoparticles. Magnetic properties of sintered samples were investigated by the superconducting quantum interface device (SQUID) magnetometer at room temperature. The hot press sintered Co1-xZnxFe2O4 (x = 0.0 and 0.5) pellet samples exhibited magnetic properties dependent on the grain size of spinel ferrite particles. The maximum saturation magnetization 82.47 emu/g was obtained for Co0.5Zn0.5Fe2O4 hot press sintered sample of ball-milled ferrite particles. Further, the impact of grain size and density of sample on hardness, dielectric property and ac conductivity of hot-press sintered samples was investigated. In addition, the longitudinal wave velocity (Vl), transverse wave velocity (Vt), mean elastic wave velocity (Vm), bulk modulus (B), rigidity modulus (G), Young's modulus (E), Poisson ratio (σ) and Debye temperature (θD) were calculated. The elastic moduli of hot press sintered ferrite samples were corrected to zero porosity using Hosselman and Fulrath model.

  11. Effect of the preparation method on the structural and catalytic properties of spinel cobalt-iron oxide

    Energy Technology Data Exchange (ETDEWEB)

    Hammiche-Bellal, Yasmina, E-mail: yasminahammiche@gmail.com [Laboratoire des Matériaux Catalytiques et Catalyse en Chimie Organique, Faculté de Chimie, USTHB, BP32 El Alia, Bab Ezzouar, 16111, Alger (Algeria); Djadoun, Amar [Laboratoire de Géophysique, FSTGAT, USTHB, BP32 El Alia, Bab Ezzouar, 16111, Alger (Algeria); Meddour-Boukhobza, Laaldja; Benadda, Amel [Laboratoire des Matériaux Catalytiques et Catalyse en Chimie Organique, Faculté de Chimie, USTHB, BP32 El Alia, Bab Ezzouar, 16111, Alger (Algeria); Auroux, Aline [Université Lyon 1, CNRS, UMR 5256, IRCELYON, Institut de Recherches sur la Catalyse et l' Environnement de Lyon, 2 Avenue Albert Einstein, F-69626, Villeurbanne (France); Berger, Marie-Hélène [Centre des Matériaux PIERRE-MARIE Fourt, UMR 7633, Paris (France); Mernache, Fateh [UDEC-CRND, COMENA, BP 43 Draria, 16050, Alger (Algeria)

    2016-07-01

    Spinel cobalt-iron oxide was synthesized by co-precipitation and hydrothermal routes. The effect of the co-precipitation experimental conditions, the calcination temperature and the hydrothermal synthesis time and temperature on the properties of the solids was studied. The prepared powders were evaluated as catalysts in the ethanol combustion reaction, and were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM/EDX), nitrogen adsorption–desorption isotherms (BET, BJH) and temperature programmed reduction (TPR) techniques. Using chloride salts as starting materials and sodium hydroxide as precipitating agent, the CoFe{sub 2}O{sub 4} prepared powders displayed a mesoporous structure with a pore distribution strongly dependent on the experimental conditions. A monophasic spinel phase in the case of the calcined solids was obtained while the hydrothermal process led to the formation of a mixture of single oxides in addition to the spinel phase. The variation of the crystallite size and the lattice parameter as a function of calcination temperature was similar, whereas this variation found to be irregular when the synthesis residence time in autoclave was increased. The hydrothermally treated solids show the best catalytic performance in the total oxidation of ethanol. The catalytic behavior was correlated with the crystallite size and the reduction temperature of cobalt species determined by the TPR analysis. - Highlights: • Pure CoFe{sub 2}O{sub 4} phase is obtained by co-precipitation method at calcination temperatures 500–900 °C. • The temperature of co-precipitation procedure influences strongly the growth of the solids during the calcination step. • The hydrothermal synthesis gives a mixture of oxides; CoFe{sub 2}O{sub 4} is the predominant phase. • The CoFe{sub 2}O{sub 4} spinel showed a good catalytic reactivity in the ethanol combustion reaction. • The catalysts prepared by hydrothermal process are more reactive and

  12. Structure and optical properties of cubic gallium oxynitride synthesized by solvothermal route

    International Nuclear Information System (INIS)

    Oberländer, Andreas; Kinski, Isabel; Zhu, Wenliang; Pezzotti, Giuseppe; Michaelis, Alexander

    2013-01-01

    Cubic gallium oxynitride was synthesized using a solvothermal processing route. Crystal structure, chemical composition, optical properties and the influence of heat treatment in either reactive or inert atmospheres have been investigated. Despite a strongly distorted lattice revealed using X-ray diffraction, the Raman active modes of a cubic gallium oxynitride structure could be observed. With diffusive reflectance UV–Vis spectroscopy a band gap at around 4.8 eV has been observed. Additionally, cathodoluminescence spectroscopy exhibited observable luminescence caused by defect-related transitions within the optical gap. Cathodoluminescence and photoluminescence spectra collected after heat treatments showed significant changes in the defect structure. In particular, for annealing in ammonia the main spectral modifications were related to the substitution of oxygen by nitrogen on anion sites. - Graphical abstract: CL spectra of gallium oxynitride: As-prepared and heat-treated at temperatures of 500 °C in different atmospheres. Highlights: ► Raman spectrum of cubic gallium oxynitride. ► Experimental determination of optical band gap. ► Shift of band gap energy due to heat treatment. ► Nitrogen incorporation leads to deep level acceptor states. ► Red shifted luminescence spectrum

  13. Bulk Single Crystal-Like Structural and Magnetic Characteristics of Epitaxial Spinel Ferrite Thin Films with Elimination of Antiphase Boundaries.

    Science.gov (United States)

    Singh, Amit V; Khodadadi, Behrouz; Mohammadi, Jamileh Beik; Keshavarz, Sahar; Mewes, Tim; Negi, Devendra Singh; Datta, Ranjan; Galazka, Zbigniew; Uecker, Reinhard; Gupta, Arunava

    2017-08-01

    Spinel ferrite NiFe 2 O 4 thin films have been grown on three isostructural substrates, MgAl 2 O 4 , MgGa 2 O 4 , and CoGa 2 O 4 using pulsed laser deposition. These substrates have lattice mismatches of 3.1%, 0.8%, and 0.2%, respectively, with NiFe 2 O 4 . As expected, the films grown on MgAl 2 O 4 substrate show the presence of the antiphase boundary defects. However, no antiphase boundaries (APBs) are observed for films grown on near-lattice-matched substrates MgGa 2 O 4 and CoGa 2 O 4 . This demonstrates that by using isostructural and lattice-matched substrates, the formation of APBs can be avoided in NiFe 2 O 4 thin films. Consequently, static and dynamic magnetic properties comparable with the bulk can be realized. Initial results indicate similar improvements in film quality and magnetic properties due to the elimination of APBs in other members of the spinel ferrite family, such as Fe 3 O 4 and CoFe 2 O 4 , which have similar crystallographic structure and lattice constants as NiFe 2 O 4 . © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Cubic AlGaN/GaN structures for device application

    Energy Technology Data Exchange (ETDEWEB)

    Schoermann, Joerg

    2007-05-15

    The aim of this work was the growth and the characterization of cubic GaN, cubic AlGaN/GaN heterostructures and cubic AlN/GaN superlattice structures. Reduction of the surface and interface roughness was the key issue to show the potential for the use of cubic nitrides in futur devices. All structures were grown by plasma assisted molecular beam epitaxy on free standing 3C-SiC (001) substrates. In situ reflection high energy electron diffraction was first investigated to determine the Ga coverage of c-GaN during growth. Using the intensity of the electron beam as a probe, optimum growth conditions were found when a 1 monolayer coverage is formed at the surface. GaN samples grown under these conditions reveal excellent structural properties. On top of the c-GaN buffer c-AlGaN/GaN single and multiple quantum wells were deposited. The well widths ranged from 2.5 to 7.5 nm. During growth of Al{sub 0.15}Ga{sub 0.85}N/GaN quantum wells clear reflection high energy electron diffraction oscillations were observed indicating a two dimensional growth mode. We observed strong room-temperature, ultraviolet photoluminescence at about 3.3 eV with a minimum linewidth of 90 meV. The peak energy of the emission versus well width is reproduced by a square-well Poisson- Schroedinger model calculation. We found that piezoelectric effects are absent in c-III nitrides with a (001) growth direction. Intersubband transition in the wavelength range from 1.6 {mu}m to 2.1 {mu}m was systematically investigated in AlN/GaN superlattices (SL), grown on 100 nm thick c-GaN buffer layers. The SLs consisted of 20 periods of GaN wells with a thickness between 1.5 nm and 2.1 nm and AlN barriers with a thickness of 1.35 nm. The first intersubband transitions were observed in metastable cubic III nitride structures in the range between 1.6 {mu}m and 2.1 {mu}m. (orig.)

  15. Low-temperature structural transformation and magnetic properties of GaMo4S8-type defect spinel compounds

    International Nuclear Information System (INIS)

    Shamraj, V.F.; Lejtus, G.M.

    1987-01-01

    Crystal structure and physical properties of GaMo 4 S 8 and GaM x Mo 4 S 8 (M=C, Si, Ge) phases, referring to magnetic semiconductors were investiagted at room and low temperatures. All investigated compounds in the range T p =30-45 K experience phase transformations. Theoretical group analysis of possible symmetry changes, supposing that observed crystal-phase transformation is the first-kind transformation, close to the second-kind one, is carried out. It is shown, that crystal-phase transformation is syfficient in forming magnetic properties of ''defect spinel'' type structural phases (Curie temperature T M ≅ 20 K). Superexchange interactions between magnetic moments, localized on molybdenum ions, are responsible for magnetic order

  16. Atomistic simulation of cubic and tetragonal phases of U-Mo alloy: Structure and thermodynamic properties

    Science.gov (United States)

    Starikov, S. V.; Kolotova, L. N.; Kuksin, A. Yu.; Smirnova, D. E.; Tseplyaev, V. I.

    2018-02-01

    We studied structure and thermodynamic properties of cubic and tetragonal phases of pure uranium and U-Mo alloys using atomistic simulations: molecular dynamics and density functional theory. The main attention was paid to the metastable γ0 -phase that is formed in U-Mo alloys at low temperature. Structure of γ0 -phase is similar to body-centered tetragonal (bct) lattice with displacement of a central atom in the basic cell along [ 001 ] direction. Such displacements have opposite orientations for part of the neighbouring basic cells. In this case, such ordering of the displacements can be designated as antiferro-displacement. Formation of such complex structure may be interpreted through forming of short U-U bonds. At heating, the tetragonal structure transforms into cubic γs -phase, still showing ordering of central atom displacements. With rise in temperature, γs -phase transforms to γ-phase with a quasi body-centered cubic (q-bcc) lattice. The local positions of uranium atoms in γ-phase correspond to γs -phase, however, orientations of the central atom displacements become disordered. Transition from γ0 to γ can be considered as antiferro-to paraelastic transition of order-disorder type. This approach to the structure description of uranium alloy allows to explain a number of unusual features found in the experiments: anisotropy of lattice at low temperature; remarkably high self-diffusion mobility in γ-phase; decreasing of electrical resistivity at heating for some alloys. In addition, important part of this work is the development of new interatomic potential for U-Mo system made with taking into account details of studied structures.

  17. Magnetic Spinel-Type CoFe2O4 Nanoparticles: Synthesis and Investigation of Structural, Morphological Properties

    Directory of Open Access Journals (Sweden)

    Mesut ÖZDİNÇER

    2017-05-01

    Full Text Available Spinel-type metal oxide nanoparticles were synthesized via co-precipitation approach. Mono ethylene glycol (MEG was used as a capping agent to stabilize the particles and prevent them from agglomeration. The structural, morphological and thermal properties of the calcined sample were characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM, raman spectroscopy and thermal analysis. Energy-dispersive X-ray analysis (EDX has also proved that the element composition was composed of pure single phase and contained Co, Fe and O elements. The mean crystallite size of the prepared ferrite nanoparticles was determined to be in the range of 30-345 nm based on the SEM images. The magnetic measurements of the CoFe2O4 nanoparticles were examined with a vibrating sample magnetometer (VSM at room temperature to determine their magnetic behavior and the magnetic parameters were found.

  18. Phase stability, electronic structure and equation of state of cubic TcN from first-principles calculations

    International Nuclear Information System (INIS)

    Song, T.; Ma, Q.; Sun, X.W.; Liu, Z.J.; Fu, Z.J.; Wei, X.P.; Wang, T.; Tian, J.H.

    2016-01-01

    The phase transition, electronic band structure, and equation of state (EOS) of cubic TcN are investigated by first-principles pseudopotential method based on density-functional theory. The calculated enthalpies show that TcN has a transformation between zincblende and rocksalt phases and the pressure determined by the relative enthalpy is 32 GPa. The calculated band structure indicates the metallic feature and it might make cubic TcN a better candidate for hard materials. Particular attention is paid to the predictions of volume, bulk modulus and its pressure derivative which play a central role in the formulation of approximate EOSs using the quasi-harmonic Debye model. - Highlights: • The phase transition pressure and electronic band structure for cubic TcN are determined. • Particular attention is paid to investigate the equation of state parameters for cubic TcN. • The thermodynamic properties up to 80 GPa and 3000 K are successfully predicted.

  19. Electronic structure and physical properties of the spinel-type phase of BeP2N4 from all-electron density functional calculations

    International Nuclear Information System (INIS)

    Ching, W. Y.; Aryal, Sitram; Rulis, Paul; Schnick, Wolfgang

    2011-01-01

    Using density-functional-theory-based ab initio methods, the electronic structure and physical properties of the newly synthesized nitride BeP 2 N 4 with a phenakite-type structure and the predicted high-pressure spinel phase of BeP 2 N 4 are studied in detail. It is shown that both polymorphs are wide band-gap semiconductors with relatively small electron effective masses at the conduction-band minima. The spinel-type phase is more covalently bonded due to the increased number of P-N bonds for P at the octahedral sites. Calculations of mechanical properties indicate that the spinel-type polymorph is a promising superhard material with notably large bulk, shear, and Young's moduli. Also calculated are the Be K, P K, P L 3 , and N K edges of the electron energy-loss near-edge structure for both phases. They show marked differences because of the different local environments of the atoms in the two crystalline polymorphs. These differences will be very useful for the experimental identification of the products of high-pressure syntheses targeting the predicted spinel-type phase of BeP 2 N 4 .

  20. An optical switch of natural light guiding system based on cubic structure with fresnel surface

    Science.gov (United States)

    Chou, Kao-Hsu; Chen, Yi-Yung; Whang, Allen Jong-Woei

    2009-08-01

    Recently, many researches focus on illumination with sunlight for saving energy and healthy lighting. A Natural Light Guiding System has collecting, transmitting, and lighting parts. In most systems, the paths on transmitting part are fixed so the collected sunlight of the Natural Light Guiding System can not be free managed and is sometime wasted. In this paper, we design an optical switch to change the path of the collected sunlight on the transmitting sunlight. The switch is cubic structure that includes a 45 degree mirror for reflecting sunlight. According to the structure of the optical switch, we can rotate the switch to manage the path of the collected sunlight. When the path is parallel with the mirror, the sunlight will pass through the switch; and when the included angle between the path and mirror is 45 degree, we can change the path of light. For coupling the exit beam into lightpipe, we design the surfaces of cubic structure to be aspheric surface with Fresnel surface. Finally, we simulate the efficiency of the optical switch when the path is changed by the mirror.

  1. Structural characterisation and physical properties of Li MMnO 4 ( M=Cr, Ti) spinels

    Science.gov (United States)

    Arillo, M. A.; Cuello, G.; López, M. L.; Martín, P.; Pico, C.; Veiga, M. L.

    2005-01-01

    New spinel-type phases of general formula Li MMnO 4 ( M=Cr, Ti), derived from LiMn 2O 4 by substitution of Mn 3+ by Cr 3+ or Mn 4+ by Ti 4+, have been obtained and characterised. Neutron diffraction refinements confirm that both phases crystallise in the Fd3m space group, giving the cation distributions [Li] 8 a[CrMn] 16 dO 4 and [Li 0.66Ti 0.34] 8 a[Li 0.34MnTi 0.66] 16 dO 4. Electrical conductivity has been examined by various techniques showing that these materials behave as semiconductors. The electrochemical behaviour indicates different oxidation-reduction steps in both cases concomitant with the insertion/deinsertion of lithium in non-reversible processes. X-ray diffraction patterns show that the above process is topotactic in LiCrMnO 4. Magnetic data and neutron diffraction measurements show that no long-range magnetic ordering is present, suggesting a spin-glass transition for M=Cr at low temperature, while for M=Ti the presence of non-magnetic ions in the octahedral sublattice provokes an inherent magnetic frustration.

  2. Comparative studies on structural properties and antimicrobial potential of spinel ferrite nanoparticles synthesized using various methods

    Science.gov (United States)

    Baraliya, Jagdish D.; Rakhashiya, Purvi M.; Patel, Pooja P.; Thaker, Vrinda S.; Joshi, Hiren H.

    2017-05-01

    In this study, novel multifunctional magnetic iron-based nanoparticles (CoFe2O4) coated with silica, silica-DEG (diethylene glycol), PEG (polyethylene glycol) were synthesized using Auto Combustion Method (ACM), Co-precipitation Method (COPM), Citrate Precursor Method (CPM), Flash Combustion Method (FCM). These spinel ferrite nanoparticles also contain very high antibacterial properties to fulfill the requirements of a drug delivery system so that the antibiotic concentration could be minimized. A potential delivery system could be based on a ferromagnetic fluid. The effects of various preparation methods on the physical properties of the nanoparticles were examined. The nanoparticles were also tested against four human pathogenic bacteria (Gram negative E.coli, P. aeruginosa, Gram positive S. aureus, S. pyogenus) and two fungi (C. albicans, A.niger). It was revealed that a nanoparticle has strong antibacterial activity as compared to antifungal. Further, Gram positive bacteria are more affected than Gram negative bacteria. It was also clear that different methods of coating have great influence on the antimicrobial properties. It was observed that these nanoparticles have significantly different but potentially very high antimicrobial activities against the tested organisms than found elsewhere by other nanoparticles on the same organisms.

  3. Large-Eddy Simulation of Coherent Flow Structures within a Cubical Canopy

    Science.gov (United States)

    Inagaki, Atsushi; Castillo, Marieta Cristina L.; Yamashita, Yoshimi; Kanda, Manabu; Takimoto, Hiroshi

    2012-02-01

    Instantaneous flow structures "within" a cubical canopy are investigated via large-eddy simulation. The main topics of interest are, (1) large-scale coherent flow structures within a cubical canopy, (2) how the structures are coupled with the turbulent organized structures (TOS) above them, and (3) the classification and quantification of representative instantaneous flow patterns within a street canyon in relation to the coherent structures. We use a large numerical domain (2,560 m × 2,560 m × 1,710 m) with a fine spatial resolution (2.5 m), thereby simulating a complete daytime atmospheric boundary layer (ABL), as well as explicitly resolving a regular array of cubes (40 m in height) at the surface. A typical urban ABL is numerically modelled. In this situation, the constant heat supply from roof and floor surfaces sustains a convective mixed layer as a whole, but strong wind shear near the canopy top maintains the surface layer nearly neutral. The results reveal large coherent structures in both the velocity and temperature fields "within" the canopy layer. These structures are much larger than the cubes, and their shapes and locations are shown to be closely related to the TOS above them. We classify the instantaneous flow patterns in a cavity, specifically focusing on two characteristic flow patterns: flushing and cavity-eddy events. Flushing indicates a strong upward motion, while a cavity eddy is characterized by a dominant vortical motion within a single cavity. Flushing is clearly correlated with the TOS above, occurring frequently beneath low-momentum streaks. The instantaneous momentum and heat transport within and above a cavity due to flushing and cavity-eddy events are also quantified.

  4. How Peptide Molecular Structure and Charge Influence the Nanostructure of Lipid Bicontinuous Cubic Mesophases: Model Synthetic WALP Peptides Provide Insights.

    Science.gov (United States)

    van 't Hag, Leonie; Li, Xu; Meikle, Thomas G; Hoffmann, Søren V; Jones, Nykola C; Pedersen, Jan Skov; Hawley, Adrian M; Gras, Sally L; Conn, Charlotte E; Drummond, Calum J

    2016-07-12

    Nanostructured bicontinuous lipidic cubic phases are used for the encapsulation of proteins in a range of applications such as in meso crystallization of transmembrane proteins and as drug delivery vehicles. The retention of the nanoscale order of the cubic phases subsequent to protein incorporation, as well as retention of the protein structure and function, is essential for all of these applications. Herein synthetic peptides (WALP21, WALPS53, and WALPS73) with a common α-helical hydrophobic domain, but varying hydrophilic loop size, were designed to systematically examine the effect of peptide structure and charge on bicontinuous cubic phases. The effect of the cubic phases on the secondary structure of the peptides was also investigated. The incorporation of the WALP peptides in cubic phases formed by a range of lipids showed that hydrophobic mismatch of the peptides with the lipid bilayers, the hydrophilic domain size, and peptide charge were all significant factors determining the response of the lipid nanomaterial to protein insertion. As charge repulsion had the most significant effect on the phase transitions observed, we suggest that buffer pH and salt concentration must be carefully considered to ensure cubic mesophase retention. Importantly, the WALP peptides were found to have a different conformation depending on the local lipid environment. Such structural changes could potentially affect membrane protein function, which is crucial for both current and prospective applications.

  5. Structural investigations on the tetragonal to cubic phase transformations in zirconia induced by progressive yttrium additions

    Science.gov (United States)

    Vasanthavel, S.; Kannan, S.

    2018-01-01

    Yttria stabilized zirconia (YSZ) is inevitable in many industrial applications. Yttrium additions in ZrO2 system induces either tetragonal (t-ZrO2) or cubic (c-ZrO2) phase stabilization that predominantly depends on the yttrium content. Here, the structural changes in ZrO2 system upon a wide range of yttrium additions are investigated. Powder synthesis is carried out through citrate-nitrate assisted sol-gel technique and analytical techniques involving XRD, Raman spectra and structural analysis through Rietveld refinement were utilized to investigate the structural changes in ZrO2 upon progressive yttrium additions. The critical limit of yttrium content to retain unique t-ZrO2, mixtures of t-ZrO2 and c-ZrO2 and discrete c-ZrO2 is determined.

  6. Electronic structure of cubic ScF3 from first-principles calculations

    International Nuclear Information System (INIS)

    Bocharov, D.; Piskunov, S.; Kuz'min, A.; Purans, J.; Zhguns, P.

    2016-01-01

    The ground state properties of cubic scandium trifluoride (ScF 3 ) perovskite were studied using first-principles calculations. The electronic structure of ScF 3 was determined by linear combination of atomic orbital (LCAO) and plane wave projector augmented-wave (PAW) methods using modified hybrid exchange-correlation functionals within the density functional theory (DFT). The comprehensive comparison of the results obtained by two methods is presented. Both methods allowed us to reproduce the lattice constant found experimentally in ScF 3 at low temperatures and to predict its electronic structure in good agreement with known experimental valence-band photoelectron and F 1s x-ray absorption spectra.

  7. Ab initio investigation of the thermodynamics of cation distribution and of the electronic and magnetic structures in the LiMn2O4 spinel

    Science.gov (United States)

    Santos-Carballal, David; Ngoepe, Phuti E.; de Leeuw, Nora H.

    2018-02-01

    The spinel-structured lithium manganese oxide (LiMn2O4 ) is a material currently used as cathode for secondary lithium-ion batteries, but whose properties are not yet fully understood. Here, we report a computational investigation of the inversion thermodynamics and electronic behavior of LiMn2O4 derived from spin-polarized density functional theory calculations with a Hubbard Hamiltonian and long-range dispersion corrections (DFT+U-D3). Based on the analysis of the configurational free energy, we have elucidated a partially inverse equilibrium cation distribution for the LiMn2O4 spinel. This equilibrium degree of inversion is rationalized in terms of the crystal field stabilization effects and the difference between the size of the cations. We compare the atomic charges with the oxidation numbers for each degree of inversion. We found segregation of the Mn charge once these ions occupy the tetrahedral and octahedral sites of the spinel. We have obtained the atomic projections of the electronic band structure and density of states, showing that the normal LiMn2O4 has half-metallic properties, while the fully inverse spinel is an insulator. This material is in the ferrimagnetic state for the inverse and partially inverse cation arrangement. The optimized lattice and oxygen parameters, as well as the equilibrium degree of inversion, are in agreement with the available experimental data. The partial equilibrium degree of inversion is important in the interpretation of the lithium ion migration and surface properties of the LiMn2O4 spinel.

  8. Controlled cobalt doping in the spinel structure of magnetosome magnetite: New evidences from element- and site-specific XMCD analyses

    Science.gov (United States)

    Pan, Y.; LI, J.; Menguy, N.; Arrio, M. A.; Sainctavit, P.; Juhin, A.; Wang, Y.; Chen, H.; Bunau, O.; Otero, E.; Ohresser, P.

    2016-12-01

    Controlled cobalt doping in the spinel structure of magnetosome magnetite: New evidences from element- and site-specific XMCD analyses Jinhua Li1,2*, Nicolas Menguy2,3, Marie-Anne Arrio3, Philippe Sainctavit3,4, Amélie Juhin3, Yinzhao Wang1,2, Haitao Chen5, Oana Bunau3, Edwige Otero4, Philippe Ohresser4, Yongxin Pan1,21Key Laboratory of Earth and Planetary Physics, Institute of Geology and Geophysics, Chinese Academy of Sciences, Beijing 100029, China. 2France-China Biomineralization and Nano-structures Laboratory, Chinese Academy of Sciences, Beijing 100029, China. 3IMPMC, CNRS UMR 7590, Sorbonne Universités, MNHN, UPMC, IRD UMR 206, 75005 Paris, France. 4Synchrotron SOLEIL, L'Orme des Merisiers Saint-Aubin, 91192 Gif-sur-Yvette Cedex, France. 5Institute of Deep-Sea Science and Engineering, Chinese Academy of Sciences, Sanya 572000, China *To whom correspondence may be addressed. Email: lijinhua@mail.iggcas.ac.cnThe biomineralization of magnetite nanocrystals (called magnetosomes) by magnetotactic bacteria (MTB) has attracted intense interest in biology, geology and materials science. Great efforts have been recently made in producing transition metal-doped magnetosomes with modified magnetic properties for a range of applications. However, the coordination chemistry and magnetism of such metal-doped magnetosomes still remains largely unknown. Here, we present new evidences from X-ray magnetic circular dichroism (XMCD) for element- and site-specific magnetic analyses that cobalt is incorporated in the spinel structure of the magnetosomes within Magnetospirillum magneticum AMB-1 through the replacement of Fe2+ ions by Co2+ ions in octahedral (Oh) sites of magnetite. Compared with non-doped one, cobalt-doped magnetosome sample has lower Verwey transition temperature and larger magnetic coercivity, related to the amount of doped cobalt. This study this study indicates a biologically controlled process on cobalt doping and magnetic alteration by MTB system

  9. The first find of spinel peridotite in the Southern Kazakhstan: Structure, composition, and parameters of high-pressure metamorphism

    Science.gov (United States)

    Pilitsyna, A. V.; Tretyakov, A. A.; Alifirova, T. A.; Degtyarev, K. E.; Kovalchuk, E. V.

    2017-09-01

    Spinel peridotite, metamorphosed in high-pressure conditions, was first described within the Western part of the Central Asian Orogenic Belt. The spinel peridotite has the characteristics of Mg-Cr ultramafites indicating the mantle origin of its protolith. The preliminary estimation of the metamorphism peak for the model system MgO-Al2O3—SiO2-Cr2O3 (MASCr) is 10-19 kbar at 680-800°C.

  10. Simple and Efficient Rout for Synthesis of Spinel Nanopigments

    Directory of Open Access Journals (Sweden)

    Leila Torkian

    2013-01-01

    Full Text Available Nano-sized CoxMg1−xAl2O4 (x = 0, 0.1, 0.2, 0.4, 0.6, 0.8, and 1 inorganic pigments were synthesized via combustion method using β-alanine, as a single and novel fuel, at 800°C in open furnace. The obtained powders were characterized by means of X-ray diffraction (XRD, energy dispersive X-ray (EDX elemental analysis, diffuse reflectance spectrum (DRS, CIE L*a*b* color measurements, and scanning electron microscope (SEM. XRD patterns show that all calcined powders have single phase cubic spinel structure. EDX analysis revealed the composition of desired spinels. The diffuse reflectance spectra of the CoxMg1−xAl2O4 (x > 0 pigments confirmed the presence of tetrahedrally coordinated Co2+ ions in the spinel lattice. The colorimetric data pointed out the formation of blue pigments (for x > 0, corresponding to highly negative values of b*, and the bluest color was produced for x = 0.8 and 1. SEM images showed nanoparticles with less than 30 nm crystallite size and flakes-like appearance of all synthesized powders.

  11. Structural study of micro-emulsions in an inversion domain. Highlighting a bi-continuous cubic structure

    International Nuclear Information System (INIS)

    Geyer d'Orth, Arnaud de

    1987-01-01

    This research thesis report the study of the structure of micro-emulsions in an inversion domain (domain of Winsor equilibriums) by using small angle neutron scattering. In this domain, the micro-emulsion keeps on passing from water-rich state (Winsor I domain) to an oil-rich state (Winsor II domain). In the intermediate domain (Winsor III domain), the micro-emulsion presents the peculiarity to be able to solubilise equal volumes of water and oil. The small angle neutron scattering technique allows highlighting the continuous passage from of an 'oil in water' droplet dispersion (Winsor I) to a 'water in oil' droplet dispersion (Winsor II) with an intermediate bi-continuous structure (Winsor III). The author shows that the micro-emulsion structure in the inversion domain is not random, but corresponds to a cubic structure. He also shows that the interface film of the Winsor III micro-emulsion forms a minimum surface. The author highlights the structure continuity between the Winsor III micro-emulsion and a cubic liquid crystal phase [fr

  12. Jubilite: A 4-,8-connected Cubic Structural Pattern in Space Group Pm3

    Directory of Open Access Journals (Sweden)

    Eduardo A. Castro

    2005-05-01

    Full Text Available Abstract: In the course of investigating structural modifications of the 3-,4-connected net known as the Pt3O4 structure-type (waserite, a novel 4-,8-connected structure-type was discovered. This lattice is generated by replacing the 3-connected trigonal planar vertices of the Pt3O4 structure-type with 4-connected tetrahedral vertices, to achieve a structure which possesses a generic empirical formula of JK6L8. In such a topological modification, the four 3-fold axes of the parent cubic, Pm3n, Pt3O4 structure-type are retained. Thus the 4-connected tetrahedral vertices are oriented so as to preserve cubic symmetry in the resulting Pm3, JK6L8 (jubilite lattice. The unit cell contains a single 8-connected cubecentered vertex, six 4-connected distorted square planar vertices and eight 4-connected distorted tetrahedral vertices. It is a Wellsean structure with a Wells point symbol given by (4166484(42826(43838 and a Schläfli symbol of (53/4, 4.2667. This latter index reveals a decrease in the lattice’s polygonality and concomitant increase in the connectivity through the transformation from waserite to jubilite. The topology of the parent waserite lattice (Pt3O4 corresponds to that of the Catalan structures with the Wells point symbol (843(834, which has the Schläfli symbol (8, 3.4285. Finally, it can be seen that a sequence of structure-types starting with waserite (Pt3O4 and moving to jubilite (JK6L8 and finally to fluorite (CaF2 represents a continuous crystallographic structural transformation in which the symmetry and topology undergo concomitant changes from one structure-type (waserite to the other structure-types. The topology of the fluorite lattice, represented by the Wells point symbol (424(462, and the Schläfli symbol (4, 51/3, indicates a discontinuous topological transformation from the intermediate jubilite lattice; like the discontinuous topological transformation from Pt3O4 to JK6L8; in which the

  13. Structural and magnetic anisotropy in the epitaxial FeV2O4 (110 spinel thin films

    Directory of Open Access Journals (Sweden)

    Xiaolan Shi

    2015-11-01

    Full Text Available The epitaxial 200-nm-thick FeV2O4(110 films on (110-oriented SrTiO3, LaAlO3 and MgAl2O4 substrates were fabricated for the first time by pulsed laser deposition, and the structural, magnetic, and magnetoresistance anisotropy were investigated systematically. All the films are monoclinic, whereas its bulk is cubic. Compared to FeV2O4 single crystals, films on SrTiO3 and MgAl2O4 are strongly compressively strained in [001] direction, while slightly tensily strained along normal [110] and in-plane [ 1 1 ¯ 0 ] directions. In contrast, films on LaAlO3 are only slightly distorted from cubic. The magnetic hard axis is in direction, while the easier axis is along normal [110] direction for films on SrTiO3 and MgAl2O4, and in-plane [ 1 1 ¯ 0 ] direction for films on LaAlO3. Magnetoresistance anisotropy follows the magnetization. The magnetic anisotropy is dominated by the magnetocrystalline energy, and tuned by the magneto-elastic coupling.

  14. Structural and magnetic anisotropy in the epitaxial FeV2O4 (110) spinel thin films

    Science.gov (United States)

    Shi, Xiaolan; Wang, Yuhang; Zhao, Kehan; Liu, Na; Sun, Gaofeng; Zhang, Liuwan

    2015-11-01

    The epitaxial 200-nm-thick FeV2O4(110) films on (110)-oriented SrTiO3, LaAlO3 and MgAl2O4 substrates were fabricated for the first time by pulsed laser deposition, and the structural, magnetic, and magnetoresistance anisotropy were investigated systematically. All the films are monoclinic, whereas its bulk is cubic. Compared to FeV2O4 single crystals, films on SrTiO3 and MgAl2O4 are strongly compressively strained in [001] direction, while slightly tensily strained along normal [110] and in-plane [ 1 1 ¯ 0 ] directions. In contrast, films on LaAlO3 are only slightly distorted from cubic. The magnetic hard axis is in direction, while the easier axis is along normal [110] direction for films on SrTiO3 and MgAl2O4, and in-plane [ 1 1 ¯ 0 ] direction for films on LaAlO3. Magnetoresistance anisotropy follows the magnetization. The magnetic anisotropy is dominated by the magnetocrystalline energy, and tuned by the magneto-elastic coupling.

  15. Structural defects in cubic semiconductors characterized by aberration-corrected scanning transmission electron microscopy.

    Science.gov (United States)

    Arroyo Rojas Dasilva, Yadira; Kozak, Roksolana; Erni, Rolf; Rossell, Marta D

    2017-05-01

    The development of new electro-optical devices and the realization of novel types of transistors require a profound understanding of the structural characteristics of new semiconductor heterostructures. This article provides a concise review about structural defects which occur in semiconductor heterostructures on the basis of micro-patterned Si substrates. In particular, one- and two-dimensional crystal defects are being discussed which are due to the plastic relaxation of epitaxial strain caused by the misfit of crystal lattices. Besides a few selected examples from literature, we treat in particular crystal defects occurring in GaAs/Si, Ge/Si and β-SiC/Si structures which are studied by high-resolution annular dark-field scanning transmission electron microscopy. The relevance of this article is twofold; firstly, it should provide a collection of data which are of help for the identification and characterization of defects in cubic semiconductors by means of atomic-resolution imaging, and secondly, the experimental data shall provide a basis for advancing the understanding of device characteristics with the aid of theoretical modelling by considering the defective nature of strained semiconductor heterostructures. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Thickness dependencies of structural and magnetic properties of cubic and tetragonal Heusler alloy bilayer films

    Science.gov (United States)

    Ranjbar, R.; Suzuki, K. Z.; Sugihara, A.; Ando, Y.; Miyazaki, T.; Mizukami, S.

    2017-07-01

    The thickness dependencies of the structural and magnetic properties for bilayers of cubic Co-based Heusler alloys (CCHAs: Co2FeAl (CFA), Co2FeSi (CFS), Co2MnAl (CMA), and Co2MnSi (CMS)) and D022-MnGa were investigated. Epitaxy of the B2 structure of CCHAs on a MnGa film was achieved; the smallest thickness with the B2 structure was found for 3-nm-thick CMS and CFS. The interfacial exchange coupling (Jex) was antiferromagnetic (AFM) for all of the CCHAs/MnGa bilayers except for unannealed CFA/MnGa samples. A critical thickness (tcrit) at which perpendicular magnetization appears of approximately 4-10 nm for the CMA/MnGa and CMS/MnGa bilayers was observed, whereas this thickness was 1-3 nm for the CFA/MnGa and CFS/MnGa films. The critical thickness for different CCHAs materials is discussed in terms of saturation magnetization (Ms) and the Jex .

  17. The Relationship Between Atomic Structure and Strain Distribution of Misfit Dislocation Cores at Cubic Heteroepitaxial Interfaces.

    Science.gov (United States)

    Wen, Cai

    2017-06-01

    The atomic reconstruction of a misfit dislocation (MD) core causes change in the strain distribution around the core. Several MD cores at the AlSb/GaAs (001) cubic zincblende interface, including a symmetrical glide set Lomer dislocation (LD), a left-displaced glide set LD, a glide set LD with an atomic step, a symmetrical shuffle set LD, and a 60° dislocation pair, were studied using simulated projected potential and aberration-corrected transmission electron microscope images. Image deconvolution was also used to restore structure images from nonoptimum-defocus images. The corresponding biaxial strain maps, ε xx (in-plane) and ε yy (out-of-plane), were obtained by geometric phase analysis using the GaAs substrate as the reference lattice. The results show that atomic structure characteristics of MD cores can be revealed by the strain maps. The strain maps should be measured from optimum-defocus images or restored structure images. Furthermore, the ε xx strain map has been found more accurate than the ε yy strain map for MD cores, and the specimen thickness should be below the critical thickness due to the influence of dynamical scattering.

  18. High-resolution transmission electron microscopy of cubic Si3N4

    Science.gov (United States)

    Zhang, Ming; He, Hongliang; Xu, F. F.; Sekine, T.; Kobayashi, T.; Bando, Y.

    2000-09-01

    A cubic Si3N4 phase/nanostructure has been characterized by means of high-resolution analytical electron microscopy. The specimen prepared from β-Si3N4 powders at a high pressure and temperature by shock wave compression contained nanometer-sized Si3N4 crystallites. The results of nano-beam electron diffraction analysis and high-resolution lattice images as well as computer simulations revealed that the Si3N4 crystallites had a cubic symmetry with spinel structure. The electron energy loss spectrum suggested that the chemical compositions of these nanostructures were close to Si3N4.

  19. Cationic exchange in nanosized ZnFe2O4 spinel revealed by experimental and simulated near-edge absorption structure

    International Nuclear Information System (INIS)

    Stewart, S. J.; Figueroa, S. J. A.; Ramallo Lopez, J. M.; Requejo, F. G.; Marchetti, S. G.; Bengoa, J. F.; Prado, R. J.

    2007-01-01

    The nonequilibrium cation site occupancy in nanosized zinc ferrites (∼6-13 nm) with different degree of inversion (∼0.2 to 0.4) was investigated using Fe and Zn K-edge x-ray absorption near edge spectroscopy (XANES) and extended x-ray absorption fine structure, and magnetic measurements. The very good agreement between experimental and ab initio calculations on the Zn K-edge XANES region clearly shows the large Zn 2+ (A)→Zn 2+ [B] transference that takes place in addition to the well-identified Fe 3+ [B]→Fe 3+ (A) one, without altering the long-range structural order. XANES spectra features as a function of the spinel inversion were shown to depend on the configuration of the ligand shells surrounding the absorbing atom. This XANES approach provides a direct way to sense cationic inversion in these Zn-containing spinel ferrites. We also demonstrated that a mechanical crystallization takes place on nanocrystalline spinel that causes an increase of both grain and magnetic sizes and, simultaneously, generates a significant augment of the inversion

  20. Towards a lattice-matching solid-state battery: synthesis of a new class of lithium-ion conductors with the spinel structure.

    Science.gov (United States)

    Rosciano, Fabio; Pescarmona, Paolo P; Houthoofd, Kristof; Persoons, Andre; Bottke, Patrick; Wilkening, Martin

    2013-04-28

    Lithium ion batteries have conquered most of the portable electronics market and are now on the verge of deployment in large scale applications. To be competitive in the automotive and stationary sectors, however, they must be improved in the fields of safety and energy density (W h L(-1)). Solid-state batteries with a ceramic electrolyte offer the necessary advantages to significantly improve the current state-of-the-art technology. The major limit towards realizing a practical solid-state lithium-ion battery lies in the lack of viable ceramic ionic conductors. Only a few candidate materials are available, each carrying a difficult balance between advantages and drawbacks. Here we introduce a new class of possible solid-state lithium-ion conductors with the spinel structure. Such compounds could be coupled with spinel-type electrode materials to obtain a "lattice matching" solid device where low interfacial resistance could be achieved. Powders were prepared by wet chemistry, their structure was studied by means of diffraction techniques and magic angle spinning NMR, and Li(+) self-diffusion was estimated by static NMR line shape measurements. Profound differences in the Li(+) diffusion properties were observed depending on the composition, lithium content and cationic distribution. Local Li(+) hopping in the spinel materials is accompanied by a low activation energy of circa 0.35 eV being comparable with that of, e.g., LLZO-type garnets, which represent the current benchmark in this field. We propose these novel materials as a building block for a lattice-matching all-spinel solid-state battery with low interfacial resistance.

  1. Valence-band structure of cubic CdS as determined by angle-resolved photoemission

    Science.gov (United States)

    Stampfl, A. P. J.; Hofmann, Ph.; Schaff, O.; Bradshaw, A. M.

    1997-04-01

    The valence-band structure of cubic CdS along the Γ-Σ-X direction and at all high-symmetry points has been experimentally determined using angle-resolved photoemission and compared to two local density approximation (LDA) calculations as well as to a recent quasiparticle calculation. The Cd 4d level was found to be semibandlike with an energy dispersion of up to 1 eV. The energy difference between the experimental and our calculated linear-muffin-tin orbital (LMTO) LDA energies falls, as expected, along a line of positive gradient. The quasiparticle calculation by Pollmann and co-workers fits the experimental values somewhat better than the LMTO calculation, although a difference of ~1.0 eV was still found to occur for the Cd 4d band. The self-interaction and relaxation-corrected pseudopotential LDA results by the same group give the best fit to within ~+/-0.5 eV for nearly all critical energies measured. Comparison with previously reported photoemission results on the wurtzite structure shows that energies at equivalent symmetry points agree within experimental error.

  2. Effect of superconductivity on the cubic to tetragonal structural transition due to a two-fold degenerate electronic band

    International Nuclear Information System (INIS)

    Ghatak, S.K.; Khanra, B.C.; Ray, D.K.

    1978-01-01

    The effect of the BCS superconductivity on the cubic to tetragonal structural transition arising from a two-fold degenerate electronic band is investigated within the mean field approximation. The phase diagram of the two transitions is given for a half filled esub(g)-band. Modification of the two transitions when they are close together is also discussed. (author)

  3. The influence of Ga doping on structural magnetic and dielectric properties of NiCr0.2Fe1.8O4 spinel ferrite

    Science.gov (United States)

    Ajmal, Muhammad; Islam, M. U.; Ashraf, Ghulam Abbas; Nazir, Muhammad Aamir; Ghouri, M. I.

    2017-12-01

    A series of spinel ferrites NiCr0.2GaxFe1.8-xO4 (x=0.00, 0.002, 0.04, 0.06, 0.08) was prepared by co precipitation technique. The influence of rare earth element Ga ions the structural dielectric and magnetic properties of NiCr0.2Fe1.8O4 ferrites was investigated. The X-ray diffraction confirmed the phase precipitated out was pure spinel phase with few traces of secondary phases. The crystallite size decreases and density increases with the increases of Ga contents. The magnetic moment, saturation magnetization and remanent magnetization increased with addition of Ga ions in spinel ferrite. The dielectric constant is described that it decreases more suddenly at low frequencies as compare at higher frequencies. The decrease in dielectric loss with frequency follows Deby's relaxation phenomena. Both the variation in tan loss and dielectric loss with frequency shows a similar. AC conductivity increases with the increases of frequency which inversely proportional to concentration of Ga3+ ions follows Jonscher law. These Gallium Chromium doped nickel ferrites are very helpful for high frequency switching devices.

  4. Structure of cubic polytype indium nitride layers on top of modified sapphire substrates

    Energy Technology Data Exchange (ETDEWEB)

    Morales, F.M.; Lozano, J.G.; Garcia, R.; Gonzalez, D. [Dpto. de Ciencia de los Materiales e Ingenieria Metalurgica y QI, Universidad de Cadiz, 11510 Puerto Real, Cadiz (Spain); Lebedev, V.; Wang, Ch.Y.; Cimalla, V.; Ambacher, O. [Institute of Micro- and Nanotechnologies, Technical University Ilmenau, 98684 Ilmenau (Germany)

    2008-07-01

    The occurrence of cubic indium nitride thin layers grown by molecular beam epitaxy on top of c-plane sapphire substrates modified by an intermediate layer of cubic indium oxide is reported. An orientation relationship between the (0001) plane of Al{sub 2}O{sub 3} and both (001) surfaces of body-centered cubic In{sub 2}O{sub 3} and zinc-blende InN is demonstrated by means of electron and X-ray diffraction and by transmission electron microscopy. We propose that the demonstrated approach is able to stabilize the non equilibrium phase of InN (i. e., the cubic polytype) due to a low lattice mismatch together with a four fold surface atomic arrangement of the indium oxide-indium nitride interface. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Atomic Structure of a Spinel-like Transition Al2O3 (100) Surface

    DEFF Research Database (Denmark)

    Jensen, Thomas Nørregaard; Meinander, Kristoffer; Helveg, Stig

    2014-01-01

    We study a crystalline epitaxial alumina thin film with the characteristics of a spinel-type transition Al2O3(100) surface by using atom-resolved noncontact atomic force microscopy and density functional theory. It is shown that the films are terminated by an Al-O layer rich in Al vacancies...

  6. Magneto-elastic interaction in cubic helimagnets with B20 structure

    International Nuclear Information System (INIS)

    Maleyev, S V

    2009-01-01

    The magneto-elastic interaction in cubic helimagnets with B 20 symmetry is considered. It is shown that this interaction is responsible for a negative contribution to the square of the spin-wave gap Δ and it alone appears to disrupt the assumed helical structure. It is suggested that competition between the positive part of Δ I 2 , which stems from magnon-magnon interaction, and its negative magneto-elastic part leads to the quantum phase transition observed at high pressure in MnSi and FeGe. This transition has to occur when Δ 2 →0. For MnSi it was shown using rough estimations that at ambient pressure both parts Δ I and |Δ ME | are comparable with the experimentally observed gap. The magneto-elastic interaction is responsible for 2k modulation of the lattice where k is the helix wavevector and contributes to the magnetic anisotropy. Properties of the magnetic state above the quantum phase transition are also discussed. Experimental observation of the lattice modulation by x-ray and neutron scattering allows the determination of the strength of the anisotropic part of the magneto-elastic interaction responsible for the above phenomena and the lattice helicity.

  7. Magneto-elastic interaction in cubic helimagnets with B20 structure.

    Science.gov (United States)

    Maleyev, S V

    2009-04-08

    The magneto-elastic interaction in cubic helimagnets with B 20 symmetry is considered. It is shown that this interaction is responsible for a negative contribution to the square of the spin-wave gap Δ and it alone appears to disrupt the assumed helical structure. It is suggested that competition between the positive part of Δ(I)(2), which stems from magnon-magnon interaction, and its negative magneto-elastic part leads to the quantum phase transition observed at high pressure in MnSi and FeGe. This transition has to occur when [Formula: see text]. For MnSi it was shown using rough estimations that at ambient pressure both parts Δ(I) and |Δ(ME)| are comparable with the experimentally observed gap. The magneto-elastic interaction is responsible for 2k modulation of the lattice where k is the helix wavevector and contributes to the magnetic anisotropy. Properties of the magnetic state above the quantum phase transition are also discussed. Experimental observation of the lattice modulation by x-ray and neutron scattering allows the determination of the strength of the anisotropic part of the magneto-elastic interaction responsible for the above phenomena and the lattice helicity.

  8. Cubic Crystal-Structured SnTe for Superior Li- and Na-Ion Battery Anodes.

    Science.gov (United States)

    Park, Ah-Ram; Park, Cheol-Min

    2017-06-27

    A cubic crystal-structured Sn-based compound, SnTe, was easily synthesized using a solid-state synthetic process to produce a better rechargeable battery, and its possible application as a Sn-based high-capacity anode material for Li-ion batteries (LIBs) and Na-ion batteries (NIBs) was investigated. The electrochemically driven phase change mechanisms of the SnTe electrodes during Li and Na insertion/extraction were thoroughly examined utilizing various ex situ analytical techniques. During Li insertion, SnTe was converted to Li 4.25 Sn and Li 2 Te; meanwhile, during Na insertion, SnTe experienced a sequential topotactic transition to Na x SnTe (x ≤ 1.5) and conversion to Na 3.75 Sn and Na 2 Te, which recombined into the original SnTe phase after full Li and Na extraction. The distinctive phase change mechanisms provided remarkable electrochemical Li- and Na-ion storage performances, such as large reversible capacities with high Coulombic efficiencies and stable cyclabilities with fast C-rate characteristics, by preparing amorphous-C-decorated nanostructured SnTe-based composites. Therefore, SnTe, with its interesting phase change mechanisms, will be a promising alternative for the oncoming generation of anode materials for LIBs and NIBs.

  9. A systematic probe in the properties of spray coated mixed spinel films of cobalt and manganese

    Science.gov (United States)

    Grace Victoria, S.; Moses Ezhil Raj, A.

    2018-01-01

    The multiple oxidation states of manganese and cobalt in cobalt manganese oxides play a crucial role in shaping up the vivid properties thus evoking curiosity among researchers. In the present work, mixed spinel films of CoMn(CoMn)2O4 were coated on glass substrates by the spray pyrolysis technique with different precursor concentrations of the acetate salts of the metals in ethyl alcohol. XRD investigations revealed an intermediate tetragonal spinel structure between cubic MnCo2O4 and tetragonal Mn3O4 (JCPDS 18-0410) with predominant orientation along (311) plane. The tetragonal distortion from cubic symmetry may be due to high Mn2+ ion content at octahedral sites. Raman spectroscopy highlighted two typical emission peaks characteristic of the deposited mixed spinel oxides. Functional groups were assigned with the aid of FTIR spectral analysis to the observed absorption bands. The binding energies of the photo-electron peaks observed for the transition metal ions and the oxygenated ions were recorded by XPS. The results indicated that the divalent and trivalent ions of cobalt co-existed with the divalent manganese ions. AFM images revealed vertically aligned columnar grains. The electrical measurements indicated conduction mechanism through jumps of polarons. Optical absorption revealed wide band gap energy of 3.76 eV.

  10. Structural stability of ZnAl{sub 2}O{sub 4} spinel irradiated by low energy particles

    Energy Technology Data Exchange (ETDEWEB)

    Baldinozzi, Gianguido [Laboratoire Structures, Proprietes et Modelisation des Solides, CNRS - Ecole Centrale Paris, 92295 Chatenay - Malabry (France)]. E-mail: gianguido.baldinozzi@ecp.fr; Simeone, David [DEN/DMN/SRMA/LA2M, CEA, CE Saclay, 91191 Gif-sur-Yvette (France); Gosset, Dominique [DEN/DMN/SRMA/LA2M, CEA, CE Saclay, 91191 Gif-sur-Yvette (France); Dolle, Mickael [DEN/DMN/SRMA/LA2M, CEA, CE Saclay, 91191 Gif-sur-Yvette (France); Thome, Lionel [CSNSM, CNRS - Universite d' Orsay, 91405 Orsay (France); Mazerolles, Leo [CECM, CNRS, 94407 Vitry-sur-Seine (France)

    2006-09-15

    It is now well known that irradiation of metals and alloys can drive materials into complex configurations. Several examples, like the occurrence of order-disorder phase transitions driven by irradiation, are discussed by many authors. To understand the behavior of ceramics under irradiation, several spinels were irradiated. In this paper, experimental results on the irradiation of ZnAl{sub 2}O{sub 4} by low-energy particles (4 MeV Au{sup 2+} ions) are presented. An order-disorder phase transition is observed. The unusual behavior of this spinel under irradiation is discussed within the framework of Martin's theory of driven alloys under irradiation.

  11. PREPARATION OF NICKEL - COBALT SPINEL OXIDES Ni x CO 3-x ...

    African Journals Online (AJOL)

    X-ray diffraction patterns showed that the oxides crystallize in a cubic spinel phase. Electrical conductivity as well as porosity depends on the preparation route. KEY WORDS: Nickel cobalt spinel oxides, Porosity, Electrical conductivity, Mixed oxides electrodes, Carbon paste electrode, Pechini sol-gel method. Bull. Chem.

  12. Effect of Hydrostatic Pressure on the Structural, Electronic and Optical Properties of SnS2 with a Cubic Structure: The DFT Approach

    Science.gov (United States)

    Bakhshayeshi, A.; Taghavi Mendi, R.; Majidiyan Sarmazdeh, M.

    2018-02-01

    Recently, a cubic structure of polymorphic SnS2 has been synthesized experimentally, which is stable at room temperature. In this paper, we calculated some structural, electronic and optical properties of the cubic SnS2 structure based on the full potential-linearized augmented plane waves method. We also studied the effect of hydrostatic pressure on the physical properties of the cubic SnS2 structure. Structural results show that the compressibility of the cubic SnS2 phase is greater than its trigonal phase and the compressibility decreases with increasing pressure. Investigations of the electronic properties indicate that pressure changes the density of states and the energy band gap increases with increasing pressure. The variation of energy band gap versus pressure is almost linear. We concluded that cubic SnS2 is a semiconductor with an indirect energy band gap, like its trigonal phase. The optical calculations revealed that the dielectric constant decreases with increasing pressure, and the width of the forbidden energy interval increases for electromagnetic wave propagation. Moreover, plasmonic energy and refractive index are changed with increasing pressure.

  13. Fine structure and energy spectrum of exciton in direct band gap cubic semiconductors with degenerate valence bands

    International Nuclear Information System (INIS)

    Nguyen Toan Thang; Nguyen Ai Viet; Nguyen Que Huong

    1987-06-01

    The influence of the cubic structure on the energy spectrum of direct exciton is investigated, using the new method suggested by Nguyen Van Hieu and co-workers. Explicit expressions of the exciton energy levels 1S, 2S and 2P are derived. A comparison with the experiments and the other theory is done for ZnSe. (author). 10 refs, 1 fig., 2 tabs

  14. Impact of Nd3+ in CoFe2O4 spinel ferrite nanoparticles on cation distribution, structural and magnetic properties

    Science.gov (United States)

    Yadav, Raghvendra Singh; Havlica, Jaromir; Masilko, Jiri; Kalina, Lukas; Wasserbauer, Jaromir; Hajdúchová, Miroslava; Enev, Vojtěch; Kuřitka, Ivo; Kožáková, Zuzana

    2016-02-01

    Nd3+ doped cobalt ferrite nanoparticles have been synthesized by starch-assisted sol-gel auto-combustion method. The significant role played by Nd3+ added to cobalt ferrite in changing cation distribution and further in influencing structural and magnetic properties, was explored and reported. The crystal structure formation and crystallite size were studied from X-ray diffraction studies. The microstructural features were investigated by field emission scanning electron microscopy and transmission electron microscopy that demonstrates the nanocrystalline grain formation with spherical morphology. An infrared spectroscopy study shows the presence of two absorption bands related to tetrahedral and octahedral group complexes within the spinel ferrite lattice system. The change in Raman modes in synthesized ferrite system were observed with Nd3+ substitution, particle size and cation redistribution. The impact of Nd3+ on cation distribution of Co2+ and Fe3+ at octahedral and tetrahedral sites in spinel ferrite cobalt ferrite nanoparticles was investigated by X-ray photoelectron spectroscopy. Room temperature magnetization measurements showed that the saturation magnetization and coercivity increase with addition of Nd3+ substitution in cobalt ferrite.

  15. Structure and morphology of spinel MFe2O4 (M=Fe, Co, Ni) nanoparticles chemically synthesized from heterometallic complexes.

    Science.gov (United States)

    Naidek, Karine Priscila; Bianconi, Flavia; da Rocha, Tulio Costa Rizuti; Zanchet, Daniela; Bonacin, Juliano Alves; Novak, Miguel Alexandre; Vaz, Maria das Graças Fialho; Winnischofer, Herbert

    2011-06-01

    We synthesized magnetic spinel ferrites from trimetallic single-source precursors. Fe(II), Co(II), and Ni(II) ferrite nanoparticles in the range of 9-25 nm were synthesized by solvothermal decomposition of trimetallic acetate complex precursors in benzyl ether in the presence of oleic acid and oleylamine, using 1,2-dodecanediol as the reducing agent. For comparison, spinel ferrite nanoparticles were synthesized by stoichiometric mixtures of metal acetate or acetylacetonate salts. The nanoparticles (NP) were characterized by TEM, DLS, powder XRD, and Raman spectroscopy; and their magnetic properties were characterized by ZFC-FC and M(H) measurements. The ferrite-NP were more homogeneous and had a narrower size distribution when trimetallic complexes were used as precursors. As a consequence, the magnetic properties of these ferrite-NP are closer to the aimed room temperature superparamagnetic behavior, than are those of other ferrites obtained by a mixture of salts. Copyright © 2011 Elsevier Inc. All rights reserved.

  16. Structure, morphology and optical-luminescence investigations of spinel ZnGa2O4 ceramics co-doped with Mn2+ and Eu3+ ions

    Science.gov (United States)

    Kravets, O.; Zaremba, O.; Shpotyuk, Ya.; Luchechko, A.; Szmuc, K.; Cebulski, J.; Ingram, A.; Shpotyuk, O.

    2018-02-01

    The polycrystalline zinc gallate ZnGa2O4: Mn2+ and ZnGa2O4: Mn2+, Eu3+ samples have been synthesized via high-temperature solid-state reaction ceramic technique. The obtained ceramics have been characterized employing the methods of X-ray diffraction analysis, transmission electron microscopy, energy-dispersive X-ray spectroscopy, positron annihilation lifetime spectroscopy and optical-luminescent spectroscopy. The XRD analysis testified in favor of successful formation of spinel structure in the prepared samples with small amount of additional phase observed in the ZnGa2O4: Mn2+, Eu3+ ceramics. The grains of irregular shape with a homogeneous distribution of Eu3+ ions in a volume were identified with TEM technique. The band gap of ZnGa2O4: Mn2+ spinel was estimated from optical absorption spectra in UV-Vis range. The characteristic bands related to electronic transitions of Mn2+ and Eu3+ ions were found in optical absorption and excitation spectra. The photoluminescence emission spectra exhibited matrix luminescence along with emission band of Mn2+ ions and narrow lines of Eu3+ ions in blue, green and red spectral region, respectively. The intensity ratio of Eu3+ emission lines confirms the high asymmetry around Eu3+ ions. These findings correlate well with results of positron annihilation lifetime spectroscopy showing intense reduction of positron trapping rate deeply in ceramics grains due to Eu3+ ions penetration.

  17. Structure and magnetic properties of the cubic oxide fluoride BaFeO2F

    OpenAIRE

    Berry, F; Coomer, F; Hancock, Cathryn; Helgason, O; Moore, E; Slater, Peter.R.; Wright, A; Thomas, M. K.

    2011-01-01

    Fluorination of the parent oxide, BaFeO3- δ, with polyvinylidine fluoride gives rise to a cubic compound with a = 4.0603(4) Å at 298K. 57Fe Mössbauer spectra confirmed that all the iron is present as Fe3+. Neutron diffraction data showed complete occupancy of the anion sites indicating a composition BaFeO2F, with a large displacement of the iron off-site. The magnetic ordering temperature was determined as TN = 645±5K. Neutron diffraction data at 4.2K established G-type antiferromagnetism wit...

  18. Structural, elastic and electronic Properties of isotropic cubic crystals of carbon and silicon nanotubes : Density functional based tight binding calculations.

    Directory of Open Access Journals (Sweden)

    Alexander L. Ivanovskii

    2008-01-01

    Full Text Available Atomic models of cubic crystals (CC of carbon and graphene-like Si nanotubes are offered and their structural, cohesive, elastic and electronic properties are predicted by means of the DFTB method. Our main findings are that the isotropic crystals of carbon nanotubes adopt a very high elastic modulus B and low compressibility β, namely B = 650 GPa, β = 0.0015 1/GPa. In addition, these crystals preserve the initial conductivity type of their “building blocks”, i.e. isolated carbon and Si nanotubes. This feature may be important for design of materials with the selected conductivity type.

  19. Ionic and Optical Properties of Methylammonium Lead Iodide Perovskite across the Tetragonal-Cubic Structural Phase Transition

    Energy Technology Data Exchange (ETDEWEB)

    Hoque, Md Nadim Ferdous [Department of Electrical and Computer Engineering and Nano Tech Center, Texas Tech University, Lubbock Texas 79409 USA; Islam, Nazifah [Department of Electrical and Computer Engineering and Nano Tech Center, Texas Tech University, Lubbock Texas 79409 USA; Li, Zhen [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden Colorado 80401 USA; Ren, Guofeng [Department of Electrical and Computer Engineering and Nano Tech Center, Texas Tech University, Lubbock Texas 79409 USA; Zhu, Kai [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden Colorado 80401 USA; Fan, Zhaoyang [Department of Electrical and Computer Engineering and Nano Tech Center, Texas Tech University, Lubbock Texas 79409 USA

    2016-09-01

    Practical hybrid perovskite solar cells (PSCs) must endure temperatures above the tetragonal-cubic structural phase transition of methylammonium lead iodide (MAPbI3). However, the ionic and optical properties of MAPbI3 in such a temperature range, and particularly, dramatic changes in these properties resulting from a structural phase transition, are not well studied. Herein, we report a striking contrast at approximately 45 degrees C in the ionic/electrical properties of MAPbl3 owing to a change of the ion activation energy from 0.7 to 0.5 eV, whereas the optical properties exhibit no particular transition except for the steady increase of the bandgap with temperature. These observations can be explained by the 'continuous' nature of perovskite phase transition. We speculate that the critical temperature at which the ionic/electrical properties change, although related to crystal symmetry variation, is not necessarily the same temperature as when tetragonal-cubic structural phase transition occurs.

  20. Study of structural phase transformation and hysteresis behavior of inverse-spinel α-ferrite nanoparticles synthesized by co-precipitation method

    Directory of Open Access Journals (Sweden)

    Shadab Dabagh

    2018-03-01

    Full Text Available Substitution of cobalt (Co2+ ions in cobalt ferrite (CoFe2O4 with copper (Cu2+ and aluminum (Al3+ ions allows variations in their electric and magnetic properties which can be optimized for specific applications. In this article, synthesis of inverse-spinel Co1−xCuxFe2−xAlxO4 (0.0 ≤ x ≤ 0.8 nanoparticles by substituting Cu2+ and Al3+ ions in CoFe2O4 via co-precipitation method is reported. By controlling copper and aluminum (Cu-Al substituent ratio, the magnetic moment and coercivity of synthesized cobalt ferrite nanoparticles is optimized. The role of substituents on the structure, particle size, morphology, and magnetic properties of nano-crystalline ferrite is investigated. The Co1−xCuxFe2−xAlxO4 (0.0 ≤ x≤ 0.8 nanoparticles with crystallite size in the range of 23.1–26.5 nm are observed, 26.5 nm for x = 0.0–23.1 nm for x = 0.8. The inverse-spinel structure of synthesized Co1−xCuxFe2−xAlxO4 (0.0 ≤ x ≤ 0.8 nano-particles is confirmed by characteristic vibrational bands at tetrahedral and octahedral sites using Fourier transform infrared spectroscopy. A decreases in coercive field and magnetic moment is observed as Cu-Al contents are increased (x = 0.0–0.8. The positive anisotropy of synthesized particles Co1−xCuxFe2−xAlxO4 (0.0 ≤ x ≤ 0.8 is obtained in the range 1.96 × 105 J/m3 for x = 0.0 to 0.29 × 105 J/m3 for x = 0.8. Keywords: Co-precipitation method, XRD, Spinel ferrites, VSM, TEM

  1. Experimental and ab initio investigations on textured Li–Mn–O spinel thin film cathodes

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, J., E-mail: Julian.Fischer@kit.edu [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials (IAM), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Music, D. [RWTH Aachen University, Materials Chemistry, Kopernikusstrasse 10, 52074 Aachen (Germany); Bergfeldt, T.; Ziebert, C.; Ulrich, S.; Seifert, H.J. [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials (IAM), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

    2014-12-01

    This paper describes the tailored preparation of nearly identical lithium–manganese–oxide thin film cathodes with different global grain orientations. The thin films were synthesized by rf magnetron sputtering from a LiMn{sub 2}O{sub 4}-target in a pure argon plasma. Under appropriate processing conditions, thin films with a cubic spinel structure and a nearly similar density and surface topography but different grain orientation, i.e. (111)- and (440)-textured films, were achieved. The chemical composition was determined by inductively coupled plasma optical emission spectroscopy and carrier gas hot extraction. The constitution- and microstructure were evaluated by X-ray diffraction and Raman spectroscopy. The surface morphology and roughness were investigated by scanning electron and atomic force microscopy. The differently textured films represent an ideal model system for studying potential effects of grain orientation on the lithium ion diffusion and electrochemical behavior in LiMn{sub 2}O{sub 4}-based thin films. They are nearly identical in their chemical composition, atomic bonding behavior, surface-roughness, morphology and thickness. Our initial ab initio molecular dynamics data indicate that Li ion transport is faster in (111)-textured structure than in (440)-textured one. - Highlights: • Thin film model system of differently textured cubic Li–Mn–O spinels. • Investigation of the Li–Mn–O thin film mass density by X-ray reflectivity. • Ab initio molecular dynamics simulation on Li ion diffusion in LiMn{sub 2}O{sub 4}.

  2. Experimental and ab initio investigations on textured Li–Mn–O spinel thin film cathodes

    International Nuclear Information System (INIS)

    Fischer, J.; Music, D.; Bergfeldt, T.; Ziebert, C.; Ulrich, S.; Seifert, H.J.

    2014-01-01

    This paper describes the tailored preparation of nearly identical lithium–manganese–oxide thin film cathodes with different global grain orientations. The thin films were synthesized by rf magnetron sputtering from a LiMn 2 O 4 -target in a pure argon plasma. Under appropriate processing conditions, thin films with a cubic spinel structure and a nearly similar density and surface topography but different grain orientation, i.e. (111)- and (440)-textured films, were achieved. The chemical composition was determined by inductively coupled plasma optical emission spectroscopy and carrier gas hot extraction. The constitution- and microstructure were evaluated by X-ray diffraction and Raman spectroscopy. The surface morphology and roughness were investigated by scanning electron and atomic force microscopy. The differently textured films represent an ideal model system for studying potential effects of grain orientation on the lithium ion diffusion and electrochemical behavior in LiMn 2 O 4 -based thin films. They are nearly identical in their chemical composition, atomic bonding behavior, surface-roughness, morphology and thickness. Our initial ab initio molecular dynamics data indicate that Li ion transport is faster in (111)-textured structure than in (440)-textured one. - Highlights: • Thin film model system of differently textured cubic Li–Mn–O spinels. • Investigation of the Li–Mn–O thin film mass density by X-ray reflectivity. • Ab initio molecular dynamics simulation on Li ion diffusion in LiMn 2 O 4

  3. Structural characterization and magnetic properties of the spinel compound CoIn0.5Cr1.5S4

    International Nuclear Information System (INIS)

    Delgado, G.E.; Sagredo, V.; Bolzoni, F.

    2008-01-01

    Single crystals of the magnetic semiconductor CoIn 0.5 Cr 1.5 S 4 , belong to the system CoIn (2-2X) Cr (2X) S 4 with x=0.75, was grown by the chemical transport method. X-ray powder diffraction characterization by the Rietveld method indicated that CoIn 0.5 Cr 1.5 S 4 crystallizes in the space group Fd-3m, Z=8, with a=10.0700(6) A and V=1021.2(1) A 3 , in a normal spinel structure. The temperature dependence of the DC magnetization suggests that the studied compound presents a ferromagnetic behavior with a Curie temperature T c =220 K. Sharp spin-glass like behavior was found also. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. Controlled cobalt doping in the spinel structure of magnetosome magnetite: new evidences from element- and site-specific X-ray magnetic circular dichroism analyses.

    Science.gov (United States)

    Li, Jinhua; Menguy, Nicolas; Arrio, Marie-Anne; Sainctavit, Philippe; Juhin, Amélie; Wang, Yinzhao; Chen, Haitao; Bunau, Oana; Otero, Edwige; Ohresser, Philippe; Pan, Yongxin

    2016-08-01

    The biomineralization of magnetite nanocrystals (called magnetosomes) by magnetotactic bacteria (MTB) has attracted intense interest in biology, geology and materials science due to the precise morphology of the particles, the chain-like assembly and their unique magnetic properties. Great efforts have been recently made in producing transition metal-doped magnetosomes with modified magnetic properties for a range of applications. Despite some successful outcomes, the coordination chemistry and magnetism of such metal-doped magnetosomes still remain largely unknown. Here, we present new evidences from X-ray magnetic circular dichroism (XMCD) for element- and site-specific magnetic analyses that cobalt is incorporated in the spinel structure of the magnetosomes within Magnetospirillum magneticum AMB-1 through the replacement of Fe(2+) ions by Co(2+) ions in octahedral (Oh) sites of magnetite. Both XMCD at Fe and Co L2,3 edges, and energy-dispersive X-ray spectroscopy on transmission electron microscopy analyses reveal a heterogeneous distribution of cobalt occurring either in different particles or inside individual particles. Compared with non-doped one, cobalt-doped magnetosome sample has lower Verwey transition temperature and larger magnetic coercivity, related to the amount of doped cobalt. This study also demonstrates that the addition of trace cobalt in the growth medium can significantly improve both the cell growth and the magnetosome formation within M. magneticum AMB-1. Together with the cobalt occupancy within the spinel structure of magnetosomes, this study indicates that MTB may provide a promising biomimetic system for producing chains of metal-doped single-domain magnetite with an appropriate tuning of the magnetic properties for technological and biomedical applications. © 2016 The Author(s).

  5. Comparative study of nano copper aluminate spinel prepared by sol–gel and modified sol–gel techniques: Structural, electrical, optical and catalytic studies

    International Nuclear Information System (INIS)

    Kumar, R. Thinesh; Suresh, P.; Selvam, N. Clament Sagaya; Kennedy, L. John; Vijaya, J. Judith

    2012-01-01

    Highlights: ► A modified sol–gel method for the preparation of nano CuAl 2 O 4 spinel using ethylenediamine was studied. ► Role of ethylenediamine in enhancing the structural, electrical, optical and catalytic properties of copper aluminate is highlighted. ► Effect of preparation method on the activity and selectivity of the samples on the oxidation of benzyl alcohol by CuAl 2 O 4 is studied. - Abstract: The effect of ethylenediamine addition in the sol–gel method for the preparation of nano CuAl 2 O 4 spinel for the enhancement in their structural, electrical, optical and catalytic properties was investigated. The samples were prepared by two different methods: sol–gel and modified sol–gel technique using ethylenediamine. X-ray diffraction (XRD), Fourier transform infrared spectra (FT-IR), scanning electron microscopy (SEM), high resolution-transmission electron microscopy (HR-TEM), energy dispersive X-ray analysis (EDX), nitrogen adsorption/desorption isotherms, temperature dependent conductance measurements, thermoelectric power (TEP) measurements and UV–visible diffuse reflectance (UV–vis-DRS) spectra were used to characterize the samples prepared. CuAl 2 O 4 prepared by modified sol–gel technique was found to possess a higher surface area, lower crystallite size, lower activation energy and high porosity than the one prepared by sol–gel method which in turn lead to the improved performance of it towards the selective oxidation of benzyl alcohol to benzaldehyde. Effect of solvent on the catalytic oxidation of benzyl alcohol by the nano CuAl 2 O 4 prepared by modified sol–gel technique was also investigated.

  6. Study of structural phase transformation and hysteresis behavior of inverse-spinel α-ferrite nanoparticles synthesized by co-precipitation method

    Science.gov (United States)

    Dabagh, Shadab; Chaudhary, Kashif; Haider, Zuhaib; Ali, Jalil

    2018-03-01

    Substitution of cobalt (Co2+) ions in cobalt ferrite (CoFe2O4) with copper (Cu2+) and aluminum (Al3+) ions allows variations in their electric and magnetic properties which can be optimized for specific applications. In this article, synthesis of inverse-spinel Co1-xCuxFe2-xAlxO4 (0.0 ≤ x ≤ 0.8) nanoparticles by substituting Cu2+ and Al3+ ions in CoFe2O4 via co-precipitation method is reported. By controlling copper and aluminum (Cu-Al) substituent ratio, the magnetic moment and coercivity of synthesized cobalt ferrite nanoparticles is optimized. The role of substituents on the structure, particle size, morphology, and magnetic properties of nano-crystalline ferrite is investigated. The Co1-xCuxFe2-xAlxO4 (0.0 ≤ x≤ 0.8) nanoparticles with crystallite size in the range of 23.1-26.5 nm are observed, 26.5 nm for x = 0.0-23.1 nm for x = 0.8. The inverse-spinel structure of synthesized Co1-xCuxFe2-xAlxO4 (0.0 ≤ x ≤ 0.8) nano-particles is confirmed by characteristic vibrational bands at tetrahedral and octahedral sites using Fourier transform infrared spectroscopy. A decreases in coercive field and magnetic moment is observed as Cu-Al contents are increased (x = 0.0-0.8). The positive anisotropy of synthesized particles Co1-xCuxFe2-xAlxO4 (0.0 ≤ x ≤ 0.8) is obtained in the range 1.96 × 105 J/m3 for x = 0.0 to 0.29 × 105 J/m3 for x = 0.8.

  7. Synthesis, structural characterization and properties of a cubic octa-n-propylsilsesquioxane inorganic-organic hybrid material

    Science.gov (United States)

    Liu, Hui; Zhu, Qingzeng; Feng, Lei; Yao, Bingjian; Feng, Shengyu

    2013-01-01

    Synthesis, structural characterization and property studies were carried out on cubic octa-n-propylsilsesquioxanes (n-Pr-POSS) in this paper. n-Pr-POSS was synthesized by an acid-catalyzed hydrolytic condensation of n-propyltriethoxysilane with a 68.9% yield. Common organic solvents, such as benzene, chloroform, tetrahydrofuran, diethyl ether, dichloromethane, toluene, cyclohexane, hexane and pentane can be used to dissolve n-Pr-POSS; however, n-Pr-POSS is insoluble or poorly soluble in acetone, dichloroethane, chlorobenzene, dimethylformamide, xylene, methanol, alcohol and isopropanol. The cubic structure and crystal morphology of n-Pr-POSS have been investigated by Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), optical microscope, 1H, 13C and 29Si nuclear magnetic resonance (NMR), X-ray single crystal diffraction and X-ray powder diffraction (XRD) methods. Crystalline n-Pr-POSS is a triclinic system crystal with a P-1 space group. Thermogravimetric analysis (TGA) indicates that n-Pr-POSS begins to sublimate above 200 °C and does not decompose until 524 °C under a nitrogen atmosphere.

  8. Experimental phasing for structure determination using membrane-protein crystals grown by the lipid cubic phase method

    Science.gov (United States)

    Li, Dianfan; Pye, Valerie E.; Caffrey, Martin

    2015-01-01

    Despite the marked increase in the number of membrane-protein structures solved using crystals grown by the lipid cubic phase or in meso method, only ten have been determined by SAD/MAD. This is likely to be a consequence of the technical difficulties associated with handling proteins and crystals in the sticky and viscous hosting mesophase that is usually incubated in glass sandwich plates for the purposes of crystallization. Here, a four-year campaign aimed at phasing the in meso structure of the integral membrane diacylglycerol kinase (DgkA) from Escherichia coli is reported. Heavy-atom labelling of this small hydrophobic enzyme was attempted by pre-labelling, co-crystallization, soaking, site-specific mercury binding to genetically engineered single-cysteine mutants and selenomethionine incorporation. Strategies and techniques for special handling are reported, as well as the typical results and the lessons learned for each of these approaches. In addition, an assay to assess the accessibility of cysteine residues in membrane proteins for mercury labelling is introduced. The various techniques and strategies described will provide a valuable reference for future experimental phasing of membrane proteins where crystals are grown by the lipid cubic phase method. PMID:25615865

  9. First principle calculations of structural, electronic and magnetic properties of cubic GdCrO3 Perovskite

    Science.gov (United States)

    Terkhi, Sabria; Bentata, Samir; Aziz, Zoubir; Lantri, Tayeb; Abbar, Boucif

    2018-02-01

    The structural, electronic and magnetic properties of the cubic GdCrO3 perovskite are investigated by mean the full-potential linearized augmented plane wave method based on the density functional theory. We have used three approximations: the generalized gradient (GGA), the GGA + U, where U is on-site Coulomb interaction correction, and the modified Becke-Johnson (mBJ-GGA). Calculated Lattice parameters are where found to be in a very good agreement with experimental measurements. Our results of spin-polarized band structure and density of states show a metallic character of GdCrO3 when using the GGA scheme, whereas a half-metallic ferromagnetic behavior is observed in both cases of GGA + U and mBJ-GGA approaches with an important total magnetic moment of 10.00 μB. The obtained results show that GdCrO3 is an excellent candidate to spintronic applications.

  10. Crystal structure of (Al,V)4(P4O12)3, archetype of double cubic ring tetraphosphate

    International Nuclear Information System (INIS)

    Yakubovich, O. V.; Biralo, G. V.; Dimitrova, O. V.

    2012-01-01

    The crystal structure of the (Al,V) 4 (P 4 O 12 ) 3 solid solution, obtained in the single-crystal form by hydrothermal synthesis in the Al(OH) 3 -VO 2 -NaCl-H 3 PO 4 -H 2 O system, has been solved by X-ray diffraction analysis (Xcalibur-S-CCD diffractometer, R = 0.0257): a = 13.7477(2) Å, sp. gr. I 4 bar 3d, Z = 4, and ρ calcd = 2.736 g/cm 3 . It is shown that the crystal structure of the parent cubic Al 4 (P 4 O 12 ) 3 modification can formally be considered an archetype for the formation of double isosymmetric tetraphosphates on its basis.

  11. 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

  12. Structural, magnetic, optical, dielectric, electrical and modulus spectroscopic characteristics of ZnFe2O4 spinel ferrite nanoparticles synthesized via honey-mediated sol-gel combustion method

    Science.gov (United States)

    Yadav, Raghvendra Singh; Kuřitka, Ivo; Vilcakova, Jarmila; Urbánek, Pavel; Machovsky, Michal; Masař, Milan; Holek, Martin

    2017-11-01

    This paper reports a honey-mediated green synthesis of ZnFe2O4 spinel ferrite nanoparticles and the effect of further annealing on structural, magnetic, optical, dielectric and electrical properties. X-ray diffraction study confirmed the well formation of ZnFe2O4 spinel ferrite crystal structure. Raman and Fourier transform infrared spectroscopy confirmed the formation of spinel ferrite crystal structure. The scanning electron microscopy study revealed the formation of spherical morphology at lower annealing temperature with achieved particle size 30-60 nm, whereas, octahedral like morphology at higher annealing temperature with particle size 50-400 nm. Magnetization measurements were carried out using a vibrating sample magnetometer at room temperature. The estimated magnetic parameter such as saturation magnetization (Ms), remanence (Mr) and coercivity (Hc) showed variation in value with nano-crystallite size. The highest saturation magnetization (Ms) was 12.81 emu/g for as-synthesized ZnFe2O4 spinel ferrite nanoparticles, whereas, highest coercivity (Hc) was 25.77 Oe for ZnFe2O4 nanoparticles annealed at high temperature 1000 °C. UV-Visible reflectance spectroscopy showed the band gap variation from 1.90 eV to 2.14 eV with the increase of annealing temperature. The dielectric constant and dielectric loss were decreased with frequency showing the normal behavior of spinel ferrites. The variation in conductivity is explained in terms of the variation in microstructure and variation in the mobility of charge carriers associated with the cation redistribution induced by annealing or grain size. The modulus and impedance spectroscopy study revealed the influence of bulk grain and the grain boundary on the electrical resistance and capacitance of ZnFe2O4 nanoparticles. The results presented in this work are helpful for green synthesis of well-controlled size, morphology and physical properties of ZnFe2O4 nanoparticles.

  13. Ab initio density functional theory investigation of the structural, electronic and optical properties of Ca3Sb2 in hexagonal and cubic phases

    International Nuclear Information System (INIS)

    Arghavani Nia, Borhan; Sedighi, Matin; Shahrokhi, Masoud; Moradian, Rostam

    2013-01-01

    A density functional theory study of structural, electronical and optical properties of Ca 3 Sb 2 compound in hexagonal and cubic phases is presented. In the exchange–correlation potential, generalized gradient approximation (PBE-GGA) has been used to calculate lattice parameters, bulk modulus, cohesive energy, dielectric function and energy loss spectra. The electronic band structure of this compound has been calculated using the above two approximations as well as another form of PBE-GGA, proposed by Engle and Vosko (EV-GGA). It is found that the hexagonal phase of Ca 3 Sb 2 has an indirect gap in the Γ→N direction; while in the cubic phase there is a direct-gap at the Γ point in the PBE-GGA and EV-GGA. Effects of applying pressure on the band structure of the system studied and optical properties of these systems were calculated. - Graphical abstract: A density functional theory study of structural, electronic and optical properties of Ca 3 Sb 2 compound in hexagonal and cubic phases is presented. Display Omitted - Highlights: • Physical properties of Ca 3 Sb 2 in hexagonal and cubic phases are investigated. • It is found that the hexagonal phase is an indirect gap semiconductor. • Ca 3 Sb 2 is a direct-gap semiconductor at the Γ point in the cubic phase. • By increasing pressure the semiconducting band gap and anti-symmetry gap are decreased

  14. Structural properties of Cd–Co ferrites

    Indian Academy of Sciences (India)

    , 0·95 and 1·0), were prepared by standard ceramic method and characterized by XRD, IR and SEM techniques. X-ray analysis confirms the formation of single phase cubic spinel structure. Lattice constant and grain size of the samples ...

  15. INFLUENCE OF THE PREPARATION METHOD ON THE STRUCTURE,PHASE FORMATION AND MAGNETIC PROPERTIES OF TEMPLATED CUFE2O4 SPINEL

    Directory of Open Access Journals (Sweden)

    N. Najmoddin

    2014-09-01

    Full Text Available The synthesis of mesoporous CuFe2O4 spinel by several nanocasting strategies (i.e., multi-step nanocasting, one step nanocasting, modified solid-liquid, in which copper and iron nitrates are used as precursors and Pluronic P123 as surfactant, is explored. We have also checked the effect of pH, citric acid and sodium citrate in multi-step nanocasting method. The modified solid-liquid method which contains impregnating mesoporous silica by molten state salts in a non-ionic solvent seems to be the best choice to obtain single phase ordered mesoporous copper ferrite. Other methods suffer from the presence of copper oxide or hematite as impurities or lack of integrity in the mesoporous structure. Increasing pH up to 9.5 does not enhance the phase formation inside the pores of the silica matrix. The citric acid yields a fine structure but does not facilitate the phase formation. Adding sodium citrate neither heals the phase formation nor the structure of the final product. Moreover, vinyl- functionalized mesoporous silica exploited in this study as a hard template entraps both metal nitrates in the pores, assisting impregnation procedure

  16. Crystal structures of spinel-type Na2MoO4 and Na2WO4 revisited using neutron powder diffraction

    Directory of Open Access Journals (Sweden)

    A. Dominic Fortes

    2015-06-01

    Full Text Available Time-of-flight neutron powder diffraction data have been collected from Na2MoO4 and Na2WO4 to a resolution of sin (θ/λ = 1.25 Å−1, which is substantially better than the previous analyses using Mo Kα X-rays, providing roughly triple the number of measured reflections with respect to the previous studies [Okada et al. (1974. Acta Cryst. B30, 1872–1873; Bramnik & Ehrenberg (2004. Z. Anorg. Allg. Chem. 630, 1336–1341]. The unit-cell parameters are in excellent agreement with literature data [Swanson et al. (1962. NBS Monograph No. 25, sect. 1, pp. 46–47] and the structural parameters for the molybdate agree very well with those of Bramnik & Ehrenberg (2004. However, the tungstate structure refinement of Okada et al. (1974 stands apart as being conspicuously inaccurate, giving significantly longer W—O distances, 1.819 (8 Å, and shorter Na—O distances, 2.378 (8 Å, than are reported here or in other simple tungstates. As such, this work represents an order-of-magnitude improvement in precision for sodium molybdate and an equally substantial improvement in both accuracy and precision for sodium tungstate. Both compounds adopt the spinel structure type. The Na+ ions have site symmetry .-3m and are in octahedral coordination while the transition metal atoms have site symmetry -43m and are in tetrahedral coordination.

  17. MZnFe{sub 2}O{sub 4} (M = Ni, Mn) cubic superparamagnetic nanoparticles obtained by hydrothermal synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Freire, R. M. [Universidade Federal do Ceara-UFC, Grupo de Quimica de Materiais Avancados (GQMAT)- Departamento de Quimica Analitica e Fisico-Quimica (Brazil); Ribeiro, T. S.; Vasconcelos, I. F. [Universidade Federal do Ceara, Departamento de Engenharia Metalurgica e de Materiais (Brazil); Denardin, J. C. [Universidad de Santiago de Chile, USACH, Departamento de Fisica (Chile); Barros, E. B. [Universidade Federal do Ceara-UFC, Departamento de Fisica (Brazil); Mele, Giuseppe [Universita del Salento, Dipartimento di Ingegneria dell' Innovazione (Italy); Carbone, L. [IPCF-CNR, UOS Pisa (Italy); Mazzetto, S. E.; Fechine, P. B. A., E-mail: fechine@ufc.br [Universidade Federal do Ceara-UFC, Grupo de Quimica de Materiais Avancados (GQMAT)- Departamento de Quimica Analitica e Fisico-Quimica (Brazil)

    2013-05-15

    MZnFe{sub 2}O{sub 4} (M = Ni or Mn) cubic nanoparticles have been prepared by hydrothermal synthesis in mild conditions and short time without any procedure of calcinations. The structural and magnetic properties of the mixed ferrites were investigated by X-ray diffraction, Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, Moessbauer spectroscopy, vibrating sample magnetometer, and Transmission electron microscopy (TEM). X-ray analysis showed peaks characteristics of the spinel phase. The average diameter of the nanoparticles observed by TEM measurements was approximately between 4 and 10 nm. Spectroscopy study of the spinel structure was performed based on Group Theory. The predicted bands were observed in FTIR and Raman spectrum. The magnetic parameters and Moessbauer spectroscopy were measured at room temperature and superparamagnetic behavior was observed for mixed ferrites. This kind of nanoparticles can be used as precursor in drug delivery systems, magnetic hyperthermia, ferrofluids, or magnetic imaging contrast agents.

  18. Synthesis of Ag2O nanocrystals with systematic shape evolution from cubic to hexapod structures and their surface properties.

    Science.gov (United States)

    Lyu, Lian-Ming; Wang, Wei-Ching; Huang, Michael H

    2010-12-17

    We report the development of a facile method for the synthesis of Ag(2)O crystals with systematic shape evolution from cubic to edge- and corner-truncated cubic, rhombicuboctahedral, edge- and corner-truncated octahedral, octahedral, and hexapod structures by mixing AgNO(3), NH(4)NO(3), and NaOH at molar ratios of 1:2:11.8. A sufficient volume of NaOH solution was first added to a mixture of AgNO(3) and NH(4)NO(3) solution to promote the formation of Ag(NH(3))(2)(+) complex ions and the growth of Ag(2)O nanocrystals with good morphological control. The crystals are mostly submicrometer-sized. X-ray diffraction, scanning electron microscopy, and transmission electron microscopy characterization has been performed to determine the crystalline surface facets. A band gap value of approximately 1.45 eV has been found for the octahedral Ag(2)O crystals. By changing the molar ratios of AgNO(3)/NH(4)NO(3)/NaOH to 1:2:41.8, corner-depressed rhombicuboctahedra and elongated hexapods were obtained as a result of enhanced crystal growth along the [100] directions. Smaller nanocubes with average sizes of approximately 200 and 300 nm and octapods can also be prepared by adjusting the reagent molar ratios and their added volumes. Both the octahedra and hexapods with largely silver atom-terminated {111} surface facets responded repulsively and moved to the surface of the solution when dispersing in a solution of positively charged methylene blue, but can be suspended in a negatively charged methyl orange solution. The cubes and octapods, bounded by the {100} faces, were insensitive to the molecular charges in solution. The dramatic facet-dependent surface properties of Ag(2)O crystals have been demonstrated.

  19. Structural instability of cubic perovskite BaxSr1-xCo1-yFeyO3-d

    NARCIS (Netherlands)

    Svarcova, Silvie; Wiik, Kjell; Tolchard, Julian; Bouwmeester, Henricus J.M.; Grande, Tor

    2008-01-01

    Cubic perovskites BaxSr1 − xCo0.8Fe0.2O3 − δ (BSCF) are among the most promising oxygen permeable membrane materials and high-performance cathode materials for intermediate temperature solid oxide fuel cells. Here, we show that cubic BSCF becomes unstable in air at intermediate temperatures and

  20. Three-dimensional fluid-structure interaction case study on cubical fluid cavity with flexible bottom

    Science.gov (United States)

    Ghelardi, Stefano; Rizzo, Cesare; Villa, Diego

    2017-12-01

    In this paper, we report our study on a numerical fluid-structure interaction problem originally presented by Mok et al. (2001) in two dimensions and later studied in three dimensions by Valdés Vazquez (2007), Lombardi (2012), and Trimarchi (2012). We focus on a 3D test case in which we evaluated the sensitivity of several input parameters on the fluid and structural results. In particular, this analysis provides a starting point from which we can look deeper into specific aspects of these simulations and analyze more realistic cases, e.g., in sails design. In this study, using the commercial software ADINA™, we addressed a well-known unsteadiness problem comprising a square box representing the fluid domain with a flexible bottom modeled with structural shell elements. We compared data from previously published work whose authors used the same numerical approach, i.e., a partitioned approach coupling a finite volume solver (for the fluid domain) and a finite element solver (for the solid domain). Specifically, we established several benchmarks and made comparisons with respect to fluid and solid meshes, structural element types, and structural damping, as well as solution algorithms. Moreover, we compared our method with a monolithic finite element solution method. Our comparisons of new and old results provide an outline of best practices for such simulations.

  1. Sintering of Spherical Particles of Equal and Different Size Arranged in a Body Centered Cubic Structure

    DEFF Research Database (Denmark)

    Redanz, Pia; McMeeking, R. M.

    2003-01-01

    Solid-state sintering of a bcc structure of spherical particles has been studied numerically by use of simple shape parameters to describe the state of the unit cell. Both free and pressure-assisted sintering of particles of equal and different sizes for various ratios of boundary and surface dif...

  2. Structural and optoelectronic properties of cubic perovskite RbPbF3

    Indian Academy of Sciences (India)

    of the perovskite fluoride RbPbF3 by performing a first- principles investigation of its structural, electronic and opti- cal properties using the full potential linearized augmented plane wave (FP-LAPW) method in the density functional theory (DFT) framework within GGA and LDA using the. WIEN2K code (Blaha et al 2001).

  3. Crystal structures of orthorhombic, hexagonal, and cubic compounds of the Sm(x)Yb(2−x)TiO5 series

    International Nuclear Information System (INIS)

    Aughterson, Robert D.; Lumpkin, Gregory R.; Reyes, Massey de los; Sharma, Neeraj; Ling, Christopher D.; Gault, Baptiste; Smith, Katherine L.; Avdeev, Maxim; Cairney, Julie M.

    2014-01-01

    A series of single phase compounds with nominal stoichiometry Sm (x) Yb (2−x) TiO 5 (x=2, 1.4, 1, 0.6, and 0) have been successfully fabricated to generate a range of crystal structures covering the most common polymorphs previously discovered in the Ln 2 TiO 5 series (Ln=lanthanides and yttrium). Four of the five samples have not been previously fabricated in bulk, single phase form so their crystal structures are refined and detailed using powder synchrotron and single crystal x-ray diffraction, neutron diffraction and transmission electron microscopy. Based on the phase information from diffraction data, there are four crystal structure types in this series; orthorhombic Pnma, hexagonal P6 3 /mmc, cubic (pyrochlore-like) Fd-3m and cubic (fluorite-like) Fm-3m. The cubic materials show modulated structures with variation between long and short range ordering and the variety of diffraction techniques were used to describe these complex crystal structure types. - Graphical abstract: A high resolution image of the compound Sm 0.6 Yb 1.4 TiO 5 showing contrast from lattice fringes and the corresponding fast Fourier transform (FFT) of the HREM image with pyrochlore related diffraction spots marked “P” and fluorite marked “F”. The crystal is oriented down the [1 1 0] zone axis based on the Fd-3m structure. The ideal crystal structure (no vacancies) of the cubic, pyrochlore-like (Sm 0.6 Yb 1.4 TiO 5 ). - Highlights: • First fabrication of bulk single-phase material with stoichiometry Sm 2 TiO 5 . • Systematic study of crystal structure types within Ln 2 TiO 5 series (Ln=lanthanides). • A novel technique using IFFT of HREM images to study cubic structures

  4. Cubic string field theory in pp-wave background and background independent moyal structure

    International Nuclear Information System (INIS)

    Chu Chongsun; Ho Peiming; Lin Fengli

    2002-01-01

    We study Witten open string field theory in the pp-wave background in the tensionless limit, and construct the N-string vertex in the basis which diagonalizes the string perturbative spectrum. We found that the Witten *-product can be viewed as infinite copies of the Moyal product with the same noncommutativity parameter θ=2. Moreover, we show that this Moyal structure is universal in the sense that, written in the string bit basis, Witten's *-product for any background can always be given in terms of the above-mentioned Moyal structure. We identify some projective operators in this algebra that we argue to correspond to D-branes of the theory. (author)

  5. Influence of nonstoichiometry and ordering on basic structure parameter of cubic titanium carbide

    International Nuclear Information System (INIS)

    Zueva, L.V.; Gusev, A.I.

    1999-01-01

    Effect of nonstoichiometry and phase transformations of the disorder-order type on the basis (B1 type) structure period of TiC y (0.5 y titanium carbide with formation of the Ti 2 C and Ti 3 C 2 superstructures leads to growth of the basic crystal lattice period as compared to disordered carbide. The problem on trends in static atomic displacement near vacancy is discussed with an account of the lattice period change [ru

  6. In-situ synchrotron PXRD study of spinel LiMn2O4 formation

    DEFF Research Database (Denmark)

    Birgisson, Steinar; Jensen, Kirsten Marie Ørnsbjerg; Christiansen, Troels Lindahl

    Spinel LiMn2O4 is a well-known cathode material for Li-ion batteries. It is considered to be a safer, more environmentally friendly and cheaper alternative to the widely used LiCoO2 cathode material. During charging/discharging of a Li-ion battery it is necessary for the Li-ions to be extracted......-ions can diffuse in and out of the structure. The spinel structure of LiMn2O4 allows for a three dimensional Li-ion diffusion via tetrahedral and octahedral holes in the cubic close packed oxide structure. By using LiMn2O4 nanoparticles as a cathode material for Li-ion batteries instead of micronsized...... particles the diffusion lengths inside the cathode material structure are significantly shorter. Therefore higher specific capacity and more specific power can be achieved by using nanoparticles instead of micro particles [S.H. Ye et al, Electrochim. Acta 49 (2004) 1623]. We have shown that it is possible...

  7. Magnetic and Structural Properties of A-Site Ordered Chromium Spinel Sulfides: Alternating Antiferromagnetic and Ferromagnetic Interactions in the Breathing Pyrochlore Lattice

    Science.gov (United States)

    Okamoto, Yoshihiko; Mori, Masaki; Katayama, Naoyuki; Miyake, Atsushi; Tokunaga, Masashi; Matsuo, Akira; Kindo, Koichi; Takenaka, Koshi

    2018-03-01

    We report a comprehensive study on the magnetic and structural properties of the spinel sulfides LiInCr4S8, LiGaCr4S8, and CuInCr4S8, where Li+/Cu+ and Ga3+/In3+ ions form a zinc-blende-type order. On the basis of synchrotron X-ray diffraction and magnetization data obtained using polycrystalline samples, these three sulfides are suggested to be breathing pyrochlore magnets with alternating antiferromagnetic and ferromagnetic interactions on the small and large tetrahedra, respectively. The measured magnetization processes of the three sulfides up to 72 T are significantly different. The magnetization curves of LiInCr4S8 and CuInCr4S8 have large hysteresis loops with different shapes, while there is no hysteresis in that of LiGaCr4S8. Geometrical frustration of the small tetrahedron is likely to give rise to a wide variety of ground states, indicating the rich physics in these antiferromagnetic-ferromagnetic breathing pyrochlore magnets.

  8. Structural characterization and magnetic properties of the spinel compound CoIn{sub 0.5}Cr{sub 1.5}S{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Delgado, G.E. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Sagredo, V. [Laboratorio de Magnetismo, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Bolzoni, F. [IMEM-CNR Institute, parco Area delle Scienze 37A, 4300 Fontanini, Parma (Italy)

    2008-02-15

    Single crystals of the magnetic semiconductor CoIn{sub 0.5}Cr{sub 1.5}S{sub 4}, belong to the system CoIn{sub (2-2X)}Cr{sub (2X)}S{sub 4} with x=0.75, was grown by the chemical transport method. X-ray powder diffraction characterization by the Rietveld method indicated that CoIn{sub 0.5}Cr{sub 1.5}S{sub 4} crystallizes in the space group Fd-3m, Z=8, with a=10.0700(6) A and V=1021.2(1) A{sup 3}, in a normal spinel structure. The temperature dependence of the DC magnetization suggests that the studied compound presents a ferromagnetic behavior with a Curie temperature T{sub c}=220 K. Sharp spin-glass like behavior was found also. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Black and green pigments based on chromium-cobalt spinels

    Energy Technology Data Exchange (ETDEWEB)

    Eliziario, Sayonara A., E-mail: sayonaraea@iq.unesp.br [Departamento de Fisico-Quimica, Instituto de Quimica, UNESP - Univ Estadual Paulista, Araraquara, SP (Brazil); Departamento de Quimica, CCEN, Universidade Federal da Paraiba, Campus I, Joao Pessoa, PB (Brazil); Andrade, Jeferson M. de [Departamento de Quimica, CCEN, Universidade Federal da Paraiba, Campus I, Joao Pessoa, PB (Brazil); Lima, Severino J.G. [Departamento de Engenharia Mecanica, CT, Universidade Federal da Paraiba, Campus I, Joao Pessoa, PB (Brazil); Paskocimas, Carlos A. [Universidade Federal do Rio Grande do Norte, CT, Natal, RN (Brazil); Soledade, Luiz E.B. [Departamento de Quimica, CCEN, Universidade Federal da Paraiba, Campus I, Joao Pessoa, PB (Brazil); Hammer, P.; Longo, E. [Departamento de Fisico-Quimica, Instituto de Quimica, UNESP - Univ Estadual Paulista, Araraquara, SP (Brazil); Souza, Antonio G.; Santos, Ieda M.G. [Departamento de Quimica, CCEN, Universidade Federal da Paraiba, Campus I, Joao Pessoa, PB (Brazil)

    2011-09-15

    Highlights: {yields} Co(Co{sub 2-x}Cr{sub x})O{sub 4} powders with different chromium concentrations (x = 0, 0.25 and 1) were prepared by the polymeric precursor method. {yields} Co(CoCr)O{sub 4} and Co(Co{sub 1.75}Cr{sub 0.25})O{sub 4} displayed a dark color and CoCr{sub 2}O{sub 4} was green. {yields} The colors were related to the different oxidation states of Cr and Co. {yields} Cobalt enrichment result in an increasing presence of Co(III) and a decrease amount of Cr(VI). - Abstract: Chromium and cobalt oxides are widely used in the manufacture of industrial pigments. In this work, the Co(Co{sub 2-x}Cr{sub x})O{sub 4} powders with different chromium concentrations (x = 0, 0.25 and 1) were synthesized by the polymeric precursor method, heat treatment between 600 and 1000 deg. C. These powders were characterized by X-ray diffraction, infrared spectroscopy, colorimetry, UV-vis absorption and X-ray photoelectron spectroscopies. Even with the addition of chromium, the XRD patterns revealed that all powders crystallize in a single spinel cubic structure. The spinels with higher cobalt amount, Co(CoCr)O{sub 4} and Co(Co{sub 1.75}Cr{sub 0.25})O{sub 4}, displayed a dark color, without the Co{sup 3+} reduction observed in Co{sub 3}O{sub 4} between 900 and 950 deg. C. The spinel with higher chromium amount, CoCr{sub 2}O{sub 4}, was green. The colors were directly related to the occupation of tetrahedral and octahedral sites by the chromophores, as well as to the different oxidation states of chromium and cobalt. The different optical band gap values estimated from UV-vis spectra suggested the existence of intermediary energy levels within the band gap. X-ray photoelectron spectroscopy confirmed an increasing presence of Co(III) and a decreasing amount of Cr(VI) with cobalt enrichment.

  10. Study of the tunneling effect within lattices with cubic structure on varying temperature

    International Nuclear Information System (INIS)

    Frisone, F.

    2008-01-01

    In this theoretical study, it is underlined that the presence of micro-cracks in the lattice structure increases the probability of tunneling effect between two deuterons by some orders of magnitude with respect to non-deformed lattices. We have derived an expression to compute the tunneling probability within a micro-crack, and hypothesized a D + 2 -D + 2 binding mechanism. Finally, the overall indications provided by these theoretical simulations appear to suggest that the deformation of the crystalline lattice, at varying temperature, seems able to influence the process of tunneling between the deuterons in the metal, while the forced loading with D 2 has, in general, no evident positive effects in pure metals, but in some cases could, on the contrary, condition the phenomenon negatively. (authors)

  11. Structural and Optoelectronic Properties of Cubic CsPbF3 for Novel Applications

    Science.gov (United States)

    Murtaza, G.; Iftikhar, Ahmad; Maqbool, M.; A. Rahnamaye Aliabad, H.; Afaq, A.

    2011-11-01

    Chemical bonding as well as structural, electronic and optical properties of CsPbF3 are calculated using the highly accurate full potential linearized augmented plane-wave method within the framework of density functional theory (DFT). The calculated lattice constant is found to be in good agreement with the experimental results. The electron density plots reveal strong ionic bonding in Cs-F and strong covalent bonding in Pb-F. The calculations show that the material is a direct and wide bandgap semiconductor with a fundamental gap at the R-symmetry point. Optical properties such as the real and imaginary parts of the dielectric function, refractive index, extinction coefficient, reflectivity, optical conductivity and absorption coefficient are also calculated. Based on the calculated wide and direct bandgap, as well as other optical properties of the compound, it is predicted that CsPbF3 is suitable for optoelectronic devices and anti-reflecting coatings.

  12. Enhanced magneto-optical and photo-catalytic properties of transition metal cobalt (Co2+ ions) doped spinel MgFe2O4 ferrite nanocomposites

    Science.gov (United States)

    Abraham, A. Godlyn; Manikandan, A.; Manikandan, E.; Vadivel, S.; Jaganathan, S. K.; Baykal, A.; Renganathan, P. Sri

    2018-04-01

    In this study, spinel magnesium cobalt ferrite (CoxMg1-xFe2O4: x = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0) nanocomposites were synthesized successfully by modified sol-gel combustion method. Magnesium nitrate, cobalt nitrate and iron nitrate were used as the source of divalent (Mg2+ and Co2+) and trivalent (Fe3+) cations, respectively and urea were used as the reducing (fuel) agent. The effects of cobalt ions on morphology, structural, optical, magnetic and photo-catalytic properties of spinel CoxMg1-xFe2O4 nanocomposites were investigated. Various characterization methods, including X-ray powder diffraction (XRD), high resolution scanning electron microscope (HR-SEM), transmission electron microscopy (HR-TEM), energy-dispersive X-ray spectroscopy (EDX), Fourier transforms infrared (FT-IR) spectroscopy, vibrating sample magnetometer (VSM) and photo-catalytic degradation (PCD) activity were used to study the phase purity, microstructure, particle size, elemental composition, functional group determination, band gap calculation, magnetic properties and degradation efficiency of nanoparticles, respectively. The observed results showed that the final products consists cubic spinel phase with sphere-like nanoparticles morphologies. Furthermore, spinel Co0.6Mg0.4Fe2O4 nanocomposite showed highest PCD efficiency (98.55%) than other composition of ferrite nanoparticles.

  13. Hardness and thermal stability of cubic silicon nitride

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Kragh, Flemming; Frost, D. J.

    2001-01-01

    The hardness and thermal stability of cubic spinel silicon nitride (c-Si3N4), synthesized under high-pressure and high-temperature conditions, have been studied by microindentation measurements, and x-ray powder diffraction and scanning electron microscopy, respectively The phase at ambient...... temperature has an average hardness of 35.31 GPa, slightly larger than SiO2 stishovite, which is often referred to as the third hardest material after diamond and cubic boron nitride. The cubic phase is stable up to 1673 K in air. At 1873 K, alpha -and beta -Si3N4 phases are observed, indicating a phase...

  14. Ab initio density functional theory investigation of the structural, electronic and optical properties of Ca{sub 3}Sb{sub 2} in hexagonal and cubic phases

    Energy Technology Data Exchange (ETDEWEB)

    Arghavani Nia, Borhan, E-mail: b.arghavani@gmail.com [Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah (Iran, Islamic Republic of); Sedighi, Matin [Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah (Iran, Islamic Republic of); Shahrokhi, Masoud [Young Researchers and Elite Club, Kermanshah Branch, Islamic Azad University, Kermanshah (Iran, Islamic Republic of); Moradian, Rostam [Nano-Science and Nano-Technology Research Center, Razi University, Kermanshah (Iran, Islamic Republic of); Computational Physics Science Research Laboratory, Department of Nano-Science, Institute for Studies in Theoretical Physics and Mathematics (IPM), P.O. Box 19395-1795, Tehran (Iran, Islamic Republic of)

    2013-11-15

    A density functional theory study of structural, electronical and optical properties of Ca{sub 3}Sb{sub 2} compound in hexagonal and cubic phases is presented. In the exchange–correlation potential, generalized gradient approximation (PBE-GGA) has been used to calculate lattice parameters, bulk modulus, cohesive energy, dielectric function and energy loss spectra. The electronic band structure of this compound has been calculated using the above two approximations as well as another form of PBE-GGA, proposed by Engle and Vosko (EV-GGA). It is found that the hexagonal phase of Ca{sub 3}Sb{sub 2} has an indirect gap in the Γ→N direction; while in the cubic phase there is a direct-gap at the Γ point in the PBE-GGA and EV-GGA. Effects of applying pressure on the band structure of the system studied and optical properties of these systems were calculated. - Graphical abstract: A density functional theory study of structural, electronic and optical properties of Ca{sub 3}Sb{sub 2} compound in hexagonal and cubic phases is presented. Display Omitted - Highlights: • Physical properties of Ca{sub 3}Sb{sub 2} in hexagonal and cubic phases are investigated. • It is found that the hexagonal phase is an indirect gap semiconductor. • Ca{sub 3}Sb{sub 2} is a direct-gap semiconductor at the Γ point in the cubic phase. • By increasing pressure the semiconducting band gap and anti-symmetry gap are decreased.

  15. The Effect of Contact Non-equilibrium Plasma on Structural and Magnetic Properties of MnХFe3 - XО4Spinels.

    Science.gov (United States)

    Frolova, L A; Derhachov, M P

    2017-08-23

    Nano-sized manganese ferrites Mn х Fe 3 - х О 4 (х = 0-1.3) were prepared using contact non-equilibrium plasma (CNP) in two different pH (11.5 and 12.5). The influence of synthesis conditions (e.g., cation ratio and initial pH) on phase composition, crystallite size, and magnetic properties were investigated employing X-ray diffraction (XRD), differential thermal analysis (DTA), Fourier transform infrared (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and magnetic measurement techniques. The formation of monodispersed faceted ferrite particles at х = 0-0.8 was shown. The FTIR spectra revealed reflection in region 1200-1700 cm -1 caused by the presence of water adsorbed on the surface of Fe 3 - x Mn x O 4 micro-granules or embedded into their crystal lattice. The most sensitivity of reflection spectra to the composition changes takes place within a 400-1200 cm -1 range, typical to the stretching vibrations of Fe(Mn)-O (up to 700 cm -1 ), Fe(Mn)-OH, and Fe(Mn)-OH 2 bonds (over 700 cm -1 ). The XRD results showed that the nanocrystalline Mn х Fe 3 - х О 4 (0 spinel crystal structure with average crystallite size 48-49 A. The decrease of crystalline size with the x increase was also observed.

  16. Structural and magnetic properties of Zn.sub.x./sub.Mn.sub.3-x./sub.O.sub.4./sub. spinels

    Czech Academy of Sciences Publication Activity Database

    Nádherný, L.; Maryško, Miroslav; Sedmidubský, D.; Martin, C.

    2016-01-01

    Roč. 413, Sep (2016), s. 89-96 ISSN 0304-8853 Institutional support: RVO:68378271 Keywords : Zn-Mn-O spinels * solid-state reaction * ferrimagnetic clusters * ZnO Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.630, year: 2016

  17. Local symmetry lowering in CdMn{sub 2}O{sub 4} spinel

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, G. N. P.; Lopes, A. M. L., E-mail: armandina.lima.lopes@cern.ch [CFNUL - Centro de Física Nuclear, Universidade de Lisboa, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); IFIMUP and IN-Institute of Nanoscience and Nanotechnology, Departamento de Física e Astronomia da Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre, 687, 4169-007 Porto (Portugal); Teixeira, R.; Silva, M. R. [CFNUL - Centro de Física Nuclear, Universidade de Lisboa, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); Mendonça, T. M.; Araújo, J. P., E-mail: jearaujo@fc.up.pt [IFIMUP and IN-Institute of Nanoscience and Nanotechnology, Departamento de Física e Astronomia da Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre, 687, 4169-007 Porto (Portugal); Correia, J. G. [C2TN, Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, Estrada Nacional 10, 2695-066 Bobadela LRS (Portugal)

    2014-12-14

    This work presents an atomic scale study of the electric field gradient (EFG) in the tetragonally distorted CdMn{sub 2}O{sub 4} spinel manganite. The EFG temperature dependence at the Cd and Mn sites was followed via perturbed angular correlation measurements with the {sup 111}In and {sup 111m}Cd probes, from 873 down to 12 K at Isolde-CERN. The results show that in the 12–600 K temperature range, a single Jahn-Teller distorted local phase exists. However above 100 K, a dynamic lattice distortion, evidenced by time dependent EFG fluctuations, sets in suggesting a structural instability. Above 600 K, a local MnO{sub 6} octahedra with relaxed Jahn-Teller distortions emerge and grow in the low temperature matrix, although no macroscopic tetragonal to cubic phase transition was observed.

  18. Magnetic properties of nanostructured spinel ferrites and ...

    Indian Academy of Sciences (India)

    structured spinel ferrites such as Ni0.5Zn0.5Fe2O4 and Mn0.67Zn0.33Fe2O4 and also that of the nanocomposite Nd2Fe14B/-Fe permanent magnetic material. The increase in the magnetic transition temperature of Ni-Zn ferrite from 538 K in the ...

  19. Magnetic behavior of the oxide spinels:

    Indian Academy of Sciences (India)

    1031–1034. Magnetic behavior of the oxide spinels: Li0.5Fe2.5−2xAlxCrxO4. U N TRIVEDI, K B MODI and H H JOSHI. Department of Physics, Saurashtra University, Rajkot 360 005, India. Abstract. In order to study the effect of substitution of Fe3+ by Al3+ and Cr3+ in Li0.5Fe2.5O4 on its structural and magnetic properties, ...

  20. Structure and magnetic properties of spinel-perovskite nanocomposite thin films on SrTiO3 (111) substrates

    Science.gov (United States)

    Kim, Dong Hun; Yang, Junho; Kim, Min Seok; Kim, Tae Cheol

    2016-09-01

    Epitaxial CoFe2O4-BiFeO3 nanocomposite thin films were synthesized on perovskite structured SrTiO3 (001) and (111) substrates by combinatorial pulsed laser deposition and characterized using scanning electron microscopy, x-ray diffraction, and vibrating sample magnetometer. Triangular BiFeO3 nanopillars were formed in a CoFe2O4 matrix on (111) oriented SrTiO3 substrates, while CoFe2O4 nanopillars with rectangular or square top surfaces grew in a BiFeO3 matrix on (001) substrates. The magnetic hysteresis loops of nanocomposites on (111) oriented SrTiO3 substrates showed isotropic properties due to the strain relaxation while those of films on SrTiO3 (001) substrates exhibited a strong out-of-plane anisotropy originated from shape and strain effects.

  1. Cobalt-manganese-based spinels as multifunctional materials that unify catalytic water oxidation and oxygen reduction reactions.

    Science.gov (United States)

    Menezes, Prashanth W; Indra, Arindam; Sahraie, Nastaran Ranjbar; Bergmann, Arno; Strasser, Peter; Driess, Matthias

    2015-01-01

    Recently, there has been much interest in the design and development of affordable and highly efficient oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) catalysts that can resolve the pivotal issues that concern solar fuels, fuel cells, and rechargeable metal-air batteries. Here we present the synthesis and application of porous CoMn2 O4 and MnCo2 O4 spinel microspheres as highly efficient multifunctional catalysts that unify the electrochemical OER with oxidant-driven and photocatalytic water oxidation as well as the ORR. The porous materials were prepared by the thermal degradation of the respective carbonate precursors at 400 °C. The as-prepared spinels display excellent performances in electrochemical OER for the cubic MnCo2 O4 phase in comparison to the tetragonal CoMn2 O4 material in an alkaline medium. Moreover, the oxidant-driven and photocatalytic water oxidations were performed and they exhibited a similar trend in activity to that of the electrochemical OER. Remarkably, the situation is reversed in ORR catalysis, that is, the oxygen reduction activity and stability of the tetragonal CoMn2 O4 catalyst outperformed that of cubic MnCo2 O4 and rivals that of benchmark Pt catalysts. The superior catalytic performance and the remarkable stability of the unifying materials are attributed to their unique porous and robust microspherical morphology and the intrinsic structural features of the spinels. Moreover, the facile access to these high-performance materials enables a reliable and cost-effective production on a large scale for industrial applications. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Comparing the Pressure-Induced Structural Behavior of CuCr 2 O 4 and CuCr 2 Se 4 Spinels

    Energy Technology Data Exchange (ETDEWEB)

    Efthimiopoulos, I. [Department; Deutsches GeoForschungsZentrum (GFZ), Section 4.3,; Tsurkan, V. [Institute; Experimental; Loidl, A. [Experimental; Zhang, Dongzhou [Partnership; Wang, Y. [Department

    2017-07-20

    We have conducted high-pressure measurements on the CuCr2O4 and CuCr2Se4 spinels to unravel the structural systematics of these materials under compression. Our studies have revealed diverse structural behavior in these two compounds. In particular, CuCr2O4 retains its ambient-pressure I41/amd structure up to 50 GPa. Close inspection of the lattice and interatomic parameters reveals a compressibility change near 23 GPa, which is accompanied by an expansion of the apical Cr–O bond distances. We speculate that an outer Cr3+ 3d orbital reorientation might be at play in this system, manifesting as the change in compressibility at that pressure point. On the other hand, CuCr2Se4 undergoes a structural transformation from the starting Fd3¯m phase toward a monoclinic structure initiated at ~8 GPa and completed at ~20 GPa. This high-pressure behavior resembles that of ZnCr2Se4, and it appears that, unlike similar chalcogenide Cr spinels, steric effects take a leading role in this pressure-induced Fd3¯m → monoclinic transition. Close comparison of our results with the reported literature yields significant insights behind the pressure-induced structural systematics of this important family of materials, thus both allowing for the careful manipulation of the structural/physical properties of these systems by strain and promoting our understanding of similar pressure-induced effects in relevant systems.

  3. Polymorphism of a lipid extract from Pseudomonas fluorescens: Structure analysis of a hexagonal phase and of a novel cubic phase of extinction symbol Fd--

    International Nuclear Information System (INIS)

    Mariani, P.; Rivas, E.; Delacroix, H.; Luzzati, V.

    1990-01-01

    The phase diagram of the Pseudomonas fluorescens lipid extract is unusual, in the sense that it displays a cubic phase straddled by a hexagonal phase. The hexagonal phase was studied over an extended concentration range, and the reflections were phased on the assumption that the structure contains circular cylinders of known radius. The cubic phase, whose extinction symbol is Fd--, was analyzed by reference to space group No. 227 (Fd3m). The phases of the reflections were determined by using a novel pattern recognition approach, based upon the notion that the average fourth power of the electron density contrast 4 > is dependent on chemical composition but not on physical structure, provided that the function Δr(r) satisfies the constraints = 0 and 2 > = 1. The authors analyzed two cubic samples of different composition: for each of them they generated all the phase combinations compatible with the X-ray scattering data and they searched for those whose 4 > best agrees with the hexagonal phase. They concluded that the chemical composition of the phases being compared must be identical, that the X-ray scattering data should not be truncated artificially, and that the apodization must be mild so that the curvature takes a value intermediate between those corresponding to the raw data of the two phases. The structure may be visualized as a 3D generalization of the lipid monolayer. The structure, moreover, does not belong to the class of the infinite periodic surfaces without intersections

  4. Thermal expansivity and bulk modulus of ZnO with NaCl-type cubic structure at high pressures and temperatures

    International Nuclear Information System (INIS)

    Sun Xiaowei; Liu Zijiang; Chen Qifeng; Chu Yandong; Wang Chengwei

    2006-01-01

    The thermal expansivity and bulk modulus of ZnO with NaCl-type cubic structure were estimated by using the constant temperature and pressure molecular dynamics technique with effective pair potentials which consist of the Coulomb, dispersion, and repulsion interaction at high pressures and temperatures. It is shown that the calculated thermodynamic parameters including linear thermal expansion coefficient, isothermal bulk modulus and its pressure derivative are in good agreement with the available experimental data and the latest theoretical results. At an extended pressure and temperature ranges, linear thermal expansion coefficient and isothermal bulk modus have also been predicted. The thermodynamic properties of ZnO with NaCl-type cubic structure are summarized in the pressure 0-150 GPa ranges and the temperature up to 3000 K

  5. AS Spinel toodab ja ehitab

    Index Scriptorium Estoniae

    1998-01-01

    1990. aastast tegutseb Eestis majade, suvilate, aiamajade, saunade jt. hoonete elementide komplektide valmistamisega AS Spinel. Märjamaal toodetakse freespuidust hoonete komplekte, Kõrvetagusel valmivad soojustatud puitkarkassil elemendid monteeritavate majade jaoks

  6. First principles study of the structural and electronic properties of double perovskite Ba{sub 2}YTaO{sub 6} in cubic and tetragonal phases

    Energy Technology Data Exchange (ETDEWEB)

    Deluque Toro, C.E., E-mail: deluquetoro@gmail.com [Grupo de Nuevos Materiales, Universidad Popular del Cesar, Valledupar (Colombia); Rodríguez M, Jairo Arbey [Grupo de Estudios de Materiales—GEMA, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Landínez Téllez, D.A. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Moreno Salazar, N.O. [Departamento de Física, Universidade Federal de Sergipe (Brazil); Roa-Rojas, J. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia)

    2014-12-15

    The Ba{sub 2}YTaO{sub 6} double perovskite presents a transition from cubic (Fm−3m) to tetragonal structure (I4/m) at high temperature. In this work, we present a detailed study of the structural and electronic properties of the double perovskite Ba{sub 2}YTaO{sub 6} in space group Fm−3m and I4/m. Calculations were made with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient (GGA) and Local Density (LDA) approximations. From the minimization of energy as a function of volume and the fitting of the Murnaghan equation some structural characteristics were determined as, for example, total energy, lattice parameter (a=8.50 Å in cubic phase and a=5.985 Å and c=8.576 Å in tetragonal), bulk modulus (135.6 GPa in cubic phase and 134.1 GPa in tetragonal phase) and its derivative. The study of the electronic characteristics was performed from the analysis of the electronic density of states (DOS). We find a non-metallic behavior for this with a direct band gap of approximately 3.5 eV and we found that the Ba{sub 2}YTaO{sub 6} (I4/m) phase is the most stable one. {sup ©} 2013 Elsevier Science. All rights reserved.

  7. Reply to “Structural and magnetic behavior of the cubic oxyfluoride SrFeO{sub 2}F studied by neutron diffraction”

    Energy Technology Data Exchange (ETDEWEB)

    Clemens, Oliver, E-mail: oliver.clemens@kit.edu [Technische Universität Darmstadt, Joint Research Laboratory Nanomaterials, Jovanka-Bontschits-Straße 2, 64287 Darmstadt (Germany); Karlsruher Institut für Technologie, Institut für Nanotechnologie, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Berry, Frank J.; Wright, Adrian J. [School of Chemistry, The University of Birmingham, Birmingham B15 2TT (United Kingdom); Knight, Kevin S. [ISIS Facility, Rutherford Appleton Laboratory, Harwell Oxford, Didcot OX11 0QX (United Kingdom); Perez-Mato, J.M.; Igartua, J.M. [Departamentos de Física de la Materia Condensada y Física Aplicada II, Facultad de Ciencia y Tecnología, Universidad del País Vasco (UPV/EHU), Apdo. 644, 48080 Bilbao (Spain); Slater, Peter R. [School of Chemistry, The University of Birmingham, Birmingham B15 2TT (United Kingdom)

    2015-03-15

    In this article we comment on the results published by Thompson et al. (, J. Solid State Chem. 219 (2014) 173–178) on the crystal structure of SrFeO{sub 2}F, who claim the compound to crystallize in the cubic space group Pm-3m. We give a more detailed explanation of the determination of our previously reported structural model with Imma symmetry (Clemens et al., J. Solid State Chem. 206 (2013) 158–169), with addition of variable temperature XRD measurements with high counting time to provide unambiguous evidence for the Imma model being correct for our sample. - Graphical abstract: The crystal structure of SrFeO{sub 2}F is discussed with regards to previous reports. - Highlights: • SrFeO{sub 2}F was synthesized by polymer based fluorination of SrFeO{sub 3}. • Evaluation of the diffraction data shows a pseudocubic cell metric. • Superstructure reflections at low d-spacings indicate deviation from cubic symmetry. • The phase transition temperature from orthorhombic to cubic was determined using variable temperature X-ray diffraction. • Results published by Thompson et al. are critically discussed with respect to those observations.

  8. Correlation between structural and magnetic properties of half-metallic spinel CuV2S4 due to the order-disorder transition of 3d2(t2g) orbitals of V3+ ions

    International Nuclear Information System (INIS)

    Kumara, L.S.R.; Tokiwa, N.; Awaka, J.; Hagino, T.; Nagata, S.; Park, Young Jun; Hidaka, M.

    2008-01-01

    Structural and magnetic properties of the spinel CuV 2 S 4 have been studied by means of X-ray diffraction using synchrotron radiation and measurements of magnetic susceptibility. The structural phase transitions occur at about 55 K and 90 K, and the superlattice reflections (h±q o , k±q o , l) having an orthorhombic reduced wavevector q o =(1/4,1/4,0) are observed at 10 K. This suggests that the structure below 55 K is a commensurate unit cell of 4a p x 4b p x c p , where the subscript 'p' means a pseudo-spinel structure, and that the structural phase transitions are induced by the cooperative displacement of S ions in one-dimensional VS 6 octahedral chains, which are aligned along an orthorhombic[110] direction. The susceptibility also shows that the weak ferromagnetic transition occurs at about 90 K, and the spike-like susceptibility is observed in the region of about 40 K and 55 K. The unusual electronic and magnetic properties of CuV 2 S 4 in the low-temperature phases below about 90 K are interpreted by order and disorder states of (3d xy , 3d yz , 3d zx ) for the V 3+ 3d 2 (t 2g ) orbitals in the VS 6 octahedral chains. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Bismuth doping strategies in GeTe nanowires to promote high-temperature phase transition from rhombohedral to face-centered cubic structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jie; Huang, Rong; Wei, Fenfen; Cheng, Guosheng, E-mail: gscheng2006@sinano.ac.cn [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 398 Ruoshui Road, Suzhou Industrial Park, Jiangsu 215123 (China); University of Chinese Academy of Sciences, No.19A Yuquan Road, Beijing 100049 (China); Kong, Tao [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 398 Ruoshui Road, Suzhou Industrial Park, Jiangsu 215123 (China)

    2014-11-17

    The phase transition of Bi-doped (∼3 at. %) GeTe nanowires from a rhombohedral (R) to a face-centered cubic (C) structure was observed in in situ high-temperature X-ray diffraction. The promotion of high-temperature R-C phase transition by a doping approach was revealed. Ab initio energy calculations of doped GeTe at various Bi doping concentrations were performed to interpret the promoted temperature-induced phase transitions. Those results indicated that the total energy differences between R and C structures of doped GeTe decreased as Bi doping concentrations increased, which facilitated R-C phase transitions.

  10. Bismuth doping strategies in GeTe nanowires to promote high-temperature phase transition from rhombohedral to face-centered cubic structure

    International Nuclear Information System (INIS)

    Zhang, Jie; Huang, Rong; Wei, Fenfen; Cheng, Guosheng; Kong, Tao

    2014-01-01

    The phase transition of Bi-doped (∼3 at. %) GeTe nanowires from a rhombohedral (R) to a face-centered cubic (C) structure was observed in in situ high-temperature X-ray diffraction. The promotion of high-temperature R-C phase transition by a doping approach was revealed. Ab initio energy calculations of doped GeTe at various Bi doping concentrations were performed to interpret the promoted temperature-induced phase transitions. Those results indicated that the total energy differences between R and C structures of doped GeTe decreased as Bi doping concentrations increased, which facilitated R-C phase transitions

  11. Spinel LiMn 2 O 4 Nanorods as Lithium Ion Battery Cathodes

    KAUST Repository

    Kim, Do Kyung

    2008-11-12

    Spinel LiMn 2O 4 is a low-cost, environmentally friendly, and highly abundant material for Li-ion battery cathodes. Here, we report the hydrothermal synthesis of single-crystalline β-MnO 2 nanorods and their chemical conversion into free-standing single-crystalline LiMn 2O 4 nanorods using a simple solid-state reaction. The LiMn 2O 4 nanorods have an average diameter of 130 nm and length of 1.2 μm. Galvanostatic battery testing showed that LiMn 2O 4 nanorods have a high charge storage capacity at high power rates compared with commercially available powders. More than 85% of the initial charge storage capacity was maintained for over 100 cycles. The structural transformation studies showed that the Li ions intercalated into the cubic phase of the LiMn 2O 4 with a small change of lattice parameter, followed by the coexistence of two nearly identical cubic phases in the potential range of 3.5 to 4.3V. © 2008 American Chemical Society.

  12. Magnetic moment directions and distributions of cations in Cr (Co substituted spinel ferrites Ni0.7Fe2.3O4

    Directory of Open Access Journals (Sweden)

    L. C. Xue

    2015-09-01

    Full Text Available Powder samples of the spinel ferrites MxNi0.7−xFe2.3O4 (M = Cr, Co and 0.0 ≤ x ≤ 0.3 and CrxNi0.7Fe2.3−xO4 (0.0 ≤ x ≤ 0.3 were synthesized using the chemical co-precipitation method. The XRD spectra confirmed that the samples had a single-phase cubic spinel structure. Magnetic measurements showed that the magnetic moments (μexp per formula both at 10 K and 300 K increased with Co substitution, while the values of μexp decreased with Cr substitution. Applying the assumption that the magnetic moments of Cr2+ and Cr3+ lie antiparallel to those of the divalent and trivalent Fe, Co, and Ni cations in the same sublattice of spinel ferrites, these interesting behaviors could be easily interpreted. The cation distributions of the three series of samples were estimated successfully by fitting the dependences of μexp, measured at 10 K, on the doping level x, using a quantum-mechanical potential barrier model earlier proposed by our group. The results obtained for the Cr cation distributions at the (A and [B] sites are very close to those obtained elsewhere using neutron diffraction.

  13. A DFT+U study of the structural, electronic, magnetic, and mechanical properties of cubic and orthorhombic SmCoO3.

    Science.gov (United States)

    Olsson, Emilia; Aparicio-Anglès, Xavier; de Leeuw, Nora H

    2016-12-14

    SmCoO 3 is a perovskite material that has gained attention as a potential substitute for La 1-x Sr x MnO 3-d as a solid oxide fuel cell cathode. However, a number of properties have remained unknown due to the complexity of the material. For example, we know from experimental evidence that this perovskite exists in two different crystal structures, cubic and orthorhombic, and that the cobalt ion changes its spin state at high temperatures, leading to a semiconductor-to-metal transition. However, little is known about the precise magnetic structure that causes the metallic behavior or the spin state of the Co centers at high temperature. Here, we therefore present a systematic DFT+U study of the magnetic properties of SmCoO 3 in order to determine what magnetic ordering is the one exhibited by the metallic phase at different temperatures. Similarly, mechanical properties are difficult to measure experimentally, which is why there is a lack of data for the two different phases of SmCoO 3 . Taking advantage of our DFT calculations, we have determined the mechanical properties from our calculated elastic constants, finding that both polymorphs exhibit similar ductility and brittleness, but that the cubic structure is harder than the orthorhombic phase.

  14. Effect of Eu{sup 3+} doping on the structural and photoluminescence properties of cubic CaCO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Yan; Sun, Yidi; Zou, Haifeng; Sheng, Ye; Zhou, Xiuqing; Zhang, Bowen; Zhou, Bing, E-mail: zhoubing@jlu.edu.cn

    2016-01-15

    Graphical abstract: - Highlights: • The doping of Eu{sup 3+} ions decreased the size of CaCO{sub 3} nanoparticles. • The doping of Eu{sup 3+} ions brought about the change of CaCO{sub 3}'s optical bandgap. • Multiple sites of Eu{sup 3+} in CaCO{sub 3} nanocrystals have been identified. - Abstract: CaCO{sub 3}:xEu{sup 3+} (x = 0, 0.010, 0.015, 0.020, and 0.025) cubic nanoparticles were synthesized by carbonation method. The powder XRD patterns and SEM images of the CaCO{sub 3}:xEu{sup 3+} nanoparticles demonstrate that both the crystalline sizes and average particle sizes of synthesized samples decreased with the increase of Eu{sup 3+} content until x = 0.020. Kubelka–Munk plots and bandgap energy estimation indicate that the doping of Eu{sup 3+} ions changed optical bandgap of CaCO{sub 3}. Photoluminescence (PL) spectra show that the PL intensity of the CaCO{sub 3}:xEu{sup 3+} nanoparticles was enhanced with the increase of Eu{sup 3+} content in cubic CaCO{sub 3}:xEu{sup 3+}, and concentration quenching occurred when Eu{sup 3+} concentration exceeded 2.0 mol%. In addition, the doped sites of Eu{sup 3+} in CaCO{sub 3} crystalline were identified by the site-selective spectroscopy and decay curves.

  15. Structural relaxation and colour in the spinel-magnesiochromite (MgAl2O4-MgCr2O4) and gahnite-zincochromite (ZnAl2O4-ZnCr2O4) solid solution series

    Science.gov (United States)

    Hålenius, U.; Andreozzi, G. B.; Skogby, H.

    2009-04-01

    Recent studies on binary mineral solid solution series utilising synchrotron based x-ray absorption spectroscopies have indicated strong structural relaxation. For instance, it has been suggested that the real Cr-O bond distances remain nearly constant (relaxation parameter (ɛ) of 0.85, where ɛ=1 equals full relaxation) over the entire compositional range of the MgAl2O4-MgCr2O4 series (Juhin et al. 2007). In the present study we have measured room temperature optical absorption spectra of synthetic single crystals of the ZnAl2-2xCr2xO4 (0.03?x?1) and MgAl2-2xCr2xO4(0.02?x?1) series with the aim to explore the real architecture of the structure and in particular the Cr-O distance as function of composition. Our crystals were synthesized by means of flux-growth methods under atmospheric pressure and temperature profiles resulting in an estimated cation ordering temperature of ca 850 °C. Crystals close to the spinel (sensu stricto) and gahnite end-member compositions were faintly red in colour. With increasing Cr-content the crystals become more intensely red-coloured and at the higher Cr-contents there is a distinct shift towards a dark greenish colouration. These colour changes are reflected in the measured optical spectra by the position and intensity of the two spin-allowed electronic d-d transitions in octahedrally coordinated Cr3+ at ca 18000 (4A2g -4T2g (4F) transition) and 25000 cm-1(4A2g -4T1g (4F) transition). The energy of the first transition (?1-band) is ca 1200 cm-1 lower in magnesiochromite than in weakly Cr-doped spinel (x=0.02) and ca 1400 cm-1 lower in zincochromite than in gahnite with the lowest Cr-content (x=0.03). Concomitantly the energy of the second transition (?2-band) decreases with increasing Cr-content in both series by ca. 1800 cm-1. From the position of the ?1-band, a decrease in crystal field splitting, 10Dq, for six-coordinated Cr3+ with increasing Cr-content in the MgAl2-2xCr2xO4 and ZnAl2-2xCr2xO4 series of 6.5 and 7

  16. Response to reply on “Structural and magnetic behavior of the cubic oxyfluoride SrFeO2F studied by neutron diffraction”

    International Nuclear Information System (INIS)

    Thompson, Corey M.; Blakely, Colin K.; Flacau, Roxana; Greedan, John E.; Poltavets, Viktor V.

    2015-01-01

    Clemens et al. reported on the results published by us (Thompson et al. J. Solid State Chem. 219 (2014) 173–178) on the crystal structure of SrFeO 2 F, which they suggest to actually crystallize in the orthorhombic space group Imma rather than the cubic Pm-3m structure at lower temperatures (Clemens et al. J. Solid State Chem. (2015), (http://dx.doi.org/10.1016/j.jssc.2015.02.022)). In this report, we provide evidence to support their claim that at lower temperatures (<523 K) the structure is evidently Imma. Furthermore, we will highlight the significance of our previous report and comment on the proposed explanations of the magnetic behavior of SrFeO 2 F reported by both groups

  17. Theoretical studies of structural and magnetic properties of cubic perovskites PrCoO 3 and NdCoO 3

    Science.gov (United States)

    Ali, Z.; Ahmad, Iftikhar; Amin, B.; Maqbool, M.; Murtaza, G.; Khan, I.; Akhtar, M. J.; Ghaffor, F.

    2011-10-01

    The structural and magnetic properties of cubic perovskites, PrCoO 3 and NdCoO 3, are studied using the full potential linearized augmented plane wave (FP-LAPW) method within the frame work of density functional theory (DFT). The structural parameters are also investigated by analytical techniques. The calculated structural parameters are consistent with the experimental results. The strong hybridization of the O-2p, Co-3d and Pr/Nd-4 f states around the Fermi level reveals that these compounds are metallic. It is also found that the origin of ferromagnetism in these compounds is double-exchange interaction between Co-3d states via O-2p states (Co-O-Co).

  18. Structural ground states of (A ,A')Cr2O4(A = Mg, Zn; A' = Co, Cu) spinel solid solutions: Spin-Jahn-Teller and Jahn-Teller effects

    Science.gov (United States)

    Kemei, Moureen C.; Moffitt, Stephanie L.; Darago, Lucy E.; Seshadri, Ram; Suchomel, Matthew R.; Shoemaker, Daniel P.; Page, Katharine; Siewenie, Joan

    2014-05-01

    We examine the effect of small amounts of magnetic substituents in the A sites of the frustrated spinels MgCr2O4 and ZnCr2O4. Specifically, we look for the effects of spin and lattice disorder on structural changes accompanying magnetic ordering in these compounds. Substitution of Co2+ on the nonmagnetic Zn2+ site in Zn1-xCoxCr2O4 where 0 occurs at very low temperatures of T occurring below 20 K without any further lattice distortion. The Jahn-Teller distorted solid solutions Mg1-xCuxCr2O4 and Zn1-xCuxCr2O4 adopt the orthorhombic Fddd structure of ferrimagnetic CuCr2O4. Total neutron scattering studies of Zn1-xCuxCr2O4 suggest that there are local AO4 distortions in these Cu2+-containing solid solutions at room temperature and that these distortions become cooperative when average structure distortions occur. Magnetism evolves from compensated antiferromagnetism in MgCr2O4 and ZnCr2O4 to uncompensated antiferromagnetism with substitution of magnetic cations on the nonmagnetic cation sites of these frustrated compounds. The sharp heat capacity anomalies associated with the first-order spin-Jahn-Teller transitions of MgCr2O4 and ZnCr2O4 become broad in Mg1-xCuxCr2O4, Zn1-xCoxCr2O4, and Zn1-xCuxCr2O4 when x > 0. We present a temperature-composition phase diagram summarizing the structural ground states and magnetic properties of the studied spinel solid solutions.

  19. Magnesia-spinel bricks for secondary refining furnaces; Niji seiren`yo magnesia-spinel shitsu renga no kaihatsu

    Energy Technology Data Exchange (ETDEWEB)

    Fujitani, S.; Ogata, M.; Nakamura, R.; Ito, K.; Otani, T. [Shinagawa Refractories Co. Ltd., Tokyo (Japan)

    1998-01-01

    A magnesia-spinel brick is developed in this report as an environmentally-friendly chromium-free refractory to replace the magnesia-chrome brick widely in use for secondary refining furnaces. In the case of the magnesia-spinel brick for cement kilns, the bond structure is improved and anti-corrosion strength enhanced when crystal grain boundaries are allowed to be impregnated with small amounts of Fe2O3 and TiO2. This method is applied also in the development of the secondary refining furnace brick introduced in this paper, and is executed to attain higher resistance to corrosion by using electromelting materials for the magnesia aggregate. As the result, a brick is developed, in which there is direct bond found well developed between periclase and spinel grains. Since a material containing more Al2O3 or spinel is higher in anti-spalling feature but lower in anti-corrosion feature, balancing should be prudently established between the two features in view of the conditions of the intended application. It is further anticipated that, except in cases where a severe attack of erosion is expected in the presence of low-basicity slag, the newly developed magnesia-spinel brick will remain in service as long as the conventional magnesia-chrome brick. 2 refs., 5 figs., 3 tabs.

  20. Cr(3+) substituted spinel ferrite nanoparticles with high coercivity.

    Science.gov (United States)

    Zhang, Wei; Zuo, Xudong; Zhang, Dongmei; Wu, Chengwei; Silva, S Ravi P

    2016-06-17

    The low coercivity of spinel ferrites is a major barrier that significantly limits their use in high density magnetic recording applications. By controlling the substituting content of Cr(3+), in this article we describe how magnetic CoCr x Fe2-x O4 (0 spinel structure of the nanoparticles with transmission electron microscopy (TEM) suggesting regular tetragonal morphology. The TEM indicated an edge length ranging from 15 nm to 150 nm, which increases monotonically with increasing Cr content. Raman analyses supported the proposed model on the formation mechanism of the nanoparticles, i.e. heterogeneous and homogeneous nucleation.

  1. How Cubic Can Ice Be?

    Science.gov (United States)

    Amaya, Andrew J; Pathak, Harshad; Modak, Viraj P; Laksmono, Hartawan; Loh, N Duane; Sellberg, Jonas A; Sierra, Raymond G; McQueen, Trevor A; Hayes, Matt J; Williams, Garth J; Messerschmidt, Marc; Boutet, Sébastien; Bogan, Michael J; Nilsson, Anders; Stan, Claudiu A; Wyslouzil, Barbara E

    2017-07-20

    Using an X-ray laser, we investigated the crystal structure of ice formed by homogeneous ice nucleation in deeply supercooled water nanodrops (r ≈ 10 nm) at ∼225 K. The nanodrops were formed by condensation of vapor in a supersonic nozzle, and the ice was probed within 100 μs of freezing using femtosecond wide-angle X-ray scattering at the Linac Coherent Light Source free-electron X-ray laser. The X-ray diffraction spectra indicate that this ice has a metastable, predominantly cubic structure; the shape of the first ice diffraction peak suggests stacking-disordered ice with a cubicity value, χ, in the range of 0.78 ± 0.05. The cubicity value determined here is higher than those determined in experiments with micron-sized drops but comparable to those found in molecular dynamics simulations. The high cubicity is most likely caused by the extremely low freezing temperatures and by the rapid freezing, which occurs on a ∼1 μs time scale in single nanodroplets.

  2. Structural properties of Cd–Co ferrites

    Indian Academy of Sciences (India)

    Ferrite samples with composition, CdCo1−Fe2O4 ( = 0.80, 0.85, 0.90, 0.95 and 1.0), were prepared by standard ceramic method and characterized by XRD, IR and SEM techniques. X-ray analysis confirms the formation of single phase cubic spinel structure. Lattice constant and grain size of the samples increase with ...

  3. Generation of high spin state in the spinel Co3O4 nano-domains through interfacial induction

    International Nuclear Information System (INIS)

    Tay, S.W.; Hong Liang; Liu Zhaolin

    2006-01-01

    The heterogeneous complex oxide (1 - x)La-xSr-Co oxides (0.8 ≤ x ≤ 0.99), is observed to possess soft ferromagnetic behaviour at ambient temperature, whereas the corresponding perovskite La 1-x Sr x CoO 3-δ solid solution no longer owns magnetic trait at the same temperature. This complex oxide comprises primarily of spinel Co 3 O 4 phase, cubic SrO phase and perovskite La 1-α Sr α CoO 3-β (α 3 O 4 and pervoskite structure possess paramagnetic properties at room temperature, the unique ferromagnetic response is interpreted as the result of interfacial induction, presumably through the Jahn-Teller distortion that happened at the octahedral interstices of spinel Co 3 O 4 adjacent to the SrO phase. This perspective was further inferred by XRD, ESR and HR-TEM testing. The HR-TEM images exhibit the interpenetrating SrO and Co 3 O 4 phases with sizes in nano-scale. The existence of a sufficiently large interface is critical to ensure the induction effect to be detected experimentally. Such an extremely high extent of mixing was attained by pyrolysing the metallo-organic chelating gel containing the above three types of metal ions. Besides the interfacial induction effect, an optimum content of La 2 O 3 (1 - x = 0.05) has been verified to play a doping effect, which enhances the response of the spinel Co 3 O 4 nano-phase to the interfacial induction

  4. Method of microbially producing metal gallate spinel nano-objects, and compositions produced thereby

    Energy Technology Data Exchange (ETDEWEB)

    Duty, Chad E.; Jellison, Jr., Gerald E.; Love, Lonnie J.; Moon, Ji Won; Phelps, Tommy J.; Ivanov, Ilia N.; Kim, Jongsu; Park, Jehong; Lauf, Robert

    2018-01-16

    A method of forming a metal gallate spinel structure that includes mixing a divalent metal-containing salt and a gallium-containing salt in solution with fermentative or thermophilic bacteria. In the process, the bacteria nucleate metal gallate spinel nano-objects from the divalent metal-containing salt and the gallium-containing salt without requiring reduction of a metal in the solution. The metal gallate spinel structures, as well as light-emitting structures in which they are incorporated, are also described.

  5. Low temperature synthesis of magnesium oxide and spinel powders by a sol-gel process

    Directory of Open Access Journals (Sweden)

    Li-Zhai Pei

    2010-09-01

    Full Text Available Magnesium oxide and magnesium aluminate (MgAl2O4 spinel (MAS powders have been synthesized by a simple aqueous sol-gel process using citrate polymeric precursors derived from magnesium chloride, aluminium nitrate and citrate. The thermal decomposition of the precursors and subsequent formation of cubic MgO and MAS were investigated by X-ray diffraction (XRD, scanning electron microscopy (SEM, thermogravimetry-differential scanning calorimetry (TG-DSC and Fourier transform infrared spectra (FTIR. The single phase cubic MgO powder and MAS powder form after heat treatment at 800 and 1200 °C, respectively. The particle size of the MgO and MAS powders is about 100 nm and several micrometers, respectively. Ball milling eliminates the size of MgO and MgAl2O4 spinel powders by decreasing the conglomeration of the powders.

  6. Effect of Mn doping on the electronic structure of ZnGa{sub 2}O{sub 4} with spinel-type structure

    Energy Technology Data Exchange (ETDEWEB)

    Nonaka, Moriyasu [Department of Earth Resources Engineering, Kyushu Univ., Fukuoka (Japan); Tanizaki, Takumi; Matsushima, Shigenori [Department of Materials Chemistry, Kitakyushu National College of Technology, Kitakyushu, Fukuoka (Japan); Mizuno, Masataka [Department of Materials Science and Engineering, Osaka Univ., Osaka (Japan); Xu, Chao-Nan [National Institute of Advanced Industrial Science and Technology (AIST), Fukuoka (Japan)

    2001-07-01

    The electronic structures of ZnGa{sub 2}O{sub 4} and ZnGa{sub 2}O{sub 4}:Mn are calculated by the discrete variational X{alpha} method on model clusters. For ZnGa{sub 2}O{sub 4}, it is found that Zn-O and Ga-O bondings are not perfectly ionic but partially covalent. When a central Zn atom of the cluster is replaced with a Mn atom, the new energy states originating from Mn 3d orbitals appear in the energy gap. The energy levels of t{sub 2} up-spin states and e downspin states seem to relate to the green emission. (author)

  7. Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures

    International Nuclear Information System (INIS)

    Wu, Z.; Bei, H.; Pharr, G.M.; George, E.P.

    2014-01-01

    Compared to decades-old theories of strengthening in dilute solid solutions, the mechanical behavior of concentrated solid solutions is relatively poorly understood. A special subset of these materials includes alloys in which the constituent elements are present in equal atomic proportions, including the high-entropy alloys of recent interest. A unique characteristic of equiatomic alloys is the absence of “solvent” and “solute” atoms, resulting in a breakdown of the textbook picture of dislocations moving through a solvent lattice and encountering discrete solute obstacles. To clarify the mechanical behavior of this interesting new class of materials, we investigate here a family of equiatomic binary, ternary and quaternary alloys based on the elements Fe, Ni, Co, Cr and Mn that were previously shown to be single-phase face-centered cubic (fcc) solid solutions. The alloys were arc-melted, drop-cast, homogenized, cold-rolled and recrystallized to produce equiaxed microstructures with comparable grain sizes. Tensile tests were performed at an engineering strain rate of 10 −3 s −1 at temperatures in the range 77–673 K. Unalloyed fcc Ni was processed similarly and tested for comparison. The flow stresses depend to varying degrees on temperature, with some (e.g. NiCoCr, NiCoCrMn and FeNiCoCr) exhibiting yield and ultimate strengths that increase strongly with decreasing temperature, while others (e.g. NiCo and Ni) exhibit very weak temperature dependencies. To better understand this behavior, the temperature dependencies of the yield strength and strain hardening were analyzed separately. Lattice friction appears to be the predominant component of the temperature-dependent yield stress, possibly because the Peierls barrier height decreases with increasing temperature due to a thermally induced increase of dislocation width. In the early stages of plastic flow (5–13% strain, depending on material), the temperature dependence of strain hardening is due

  8. Cubic (BN)xC2(1-x) ordered alloys: a first-principles study of the structural, electronic, and effective mass properties

    International Nuclear Information System (INIS)

    Paiva, R de; Azevedo, S

    2006-01-01

    We apply a first-principles method based on the density functional theory within the generalized gradient approximation, and the full-potential linear augmented plane-wave method, to calculate the structural and electronic properties of cubic (BN) x C 2(1-x) ordered alloys. We investigate the equilibrium lattice parameters, the bulk moduli, the density of states, the band-gap energies and the effective masses of the conduction and valence bands along the [111],[100] and [110] directions. The obtained results are used to provide effective-mass and Luttinger parameters, and to give an important guideline to the material's design for optoelectronic devices, we link the first-principles band calculations with effective mass theory

  9. Global Existence and Convergence of Solutions to a Cross-Diffusion Cubic Predator-Prey System with Stage Structure for the Prey

    Directory of Open Access Journals (Sweden)

    Shengmao Fu

    2010-01-01

    Full Text Available We study a cubic predator-prey system with stage structure for the prey. This system is a generalization of the two-species Lotka-Volterra predator-prey model. Firstly, we consider the asymptotical stability of equilibrium points to the system of ordinary differential equations type. Then, the global existence of solutions and the stability of equilibrium points to the system of weakly coupled reaction-diffusion type are discussed. Finally, the existence of nonnegative classical global solutions to the system of strongly coupled reaction-diffusion type is investigated when the space dimension is less than 6, and the global asymptotic stability of unique positive equilibrium point of the system is proved by constructing Lyapunov functions.

  10. The comparative study of the structural and the electrical properties of the nano spinel ferrites prepared by the soft mehanochemical synthesis

    Directory of Open Access Journals (Sweden)

    Sekulić D.L.

    2014-01-01

    Full Text Available Nano spinel ferrites MFe2O4 (M=Ni, Mn, Zn were obtained by soft mechanochemical synthesis in a planetary ball mill. The appropriate mixture of oxide and hydroxide powders was used as initial compounds. All of this mixture of powders was mechanically activated, uniaxial pressed and sintered at 1100°C/2h. The phase composition of the powders and sintered samples were analyzed by XRD and Raman spectroscopy. Morphologies were examined by SEM. In this study, the AC-conductivity and DC-resistivity of sintered samples of MFe2O4 (M= Ni, Mn, Zn ferrites were measured at different frequencies and at room temperature. The values of the electrical conductivities show an increase with increasing temperature, which indicated the semiconducting behavior of the studied ferrites. The conduction phenomenon of the investigated samples could be explained on the basis of hopping model. The complex impedance spectroscopy analysis was used to study the effect of grain and grain boundary on the electrical properties of all three obtained ferrites [Projekat Ministarstva nauke Republike Srbije, br. III 45003

  11. Magnetic structure and phase diagram of the frustrated spinel Cd{sub 1-x}Zn{sub x}Cr{sub 2}Se{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Loudghiri, E. [Laboratoire de Physique des Materiaux, Faculte des Sciences, Universite Mohammed V, B.P. 1014 Rabat (Morocco); Belayachi, A. [Laboratoire de Physique des Materiaux, Faculte des Sciences, Universite Mohammed V, B.P. 1014 Rabat (Morocco)], E-mail: belayach@fsr.ac.ma; Nogues, M. [Laboratoire de Magnetisme et d' Optique de l' Universite de Versailles (URA 1531), Batiment, Fermat, 45 Avenue des Etats Unis, 78035 Versailles Cedex (France); Taibi, M. [Laboratoire de Physico-Chimie des Materiaux associe a l' AUF (LAF 502), Ecole Normale, Superieure Takadoum, B.P. 5118 Rabat (Morocco); Cruz, M.M.; Godinho, M. [Dept. Fisica/CFMC-UL, Fac. Ciencias, Universidade de Lisboa, Campo Grande, Ed.C8, 1749-016 Lisbon (Portugal)

    2008-03-15

    In attempt to characterise the magnetic ordering in the whole composition range of the Cd{sub 1-x}Zn{sub x}Cr{sub 2}Se{sub 4} system, various magnetic measurements were performed on both crystalline and polycrystalline samples with 0{<=}x{<=}1. The magnetic properties of the system are typical of a ferromagnet below x=0.4 and of a complex antiferromagnet one above x=0.6. In this work the intermediate region was carefully studied. The variations of both M(T) and {chi}{sub ac} at low fields suggest that transitions from ferromagnetic to Gabay-Toulouse ferromagnetic-spin-glass mixed phase at low temperature occur in the range 0.41{<=}x{<=}0.58. The high-temperature susceptibility measurements show that for the whole concentration range the system obeys Curie-Weiss laws. The results can be explained by the coexistence of competing interactions (ferromagnetic between nearest neighbours and antiferromagnetic between higher order neighbours) and disorder due to the random substitution between zinc and cadmium ions in the tetrahedral sites of the spinel lattice. An experimental magnetic phase diagram of the system is established.

  12. Rapid room-temperature synthesis of nanocrystalline spinels as oxygen reduction and evolution electrocatalysts

    Science.gov (United States)

    Cheng, Fangyi; Shen, Jian; Peng, Bo; Pan, Yuede; Tao, Zhanliang; Chen, Jun

    2011-01-01

    Spinels can serve as alternative low-cost bifunctional electrocatalysts for oxygen reduction/evolution reactions (ORR/OER), which are the key barriers in various electrochemical devices such as metal-air batteries, fuel cells and electrolysers. However, conventional ceramic synthesis of crystalline spinels requires an elevated temperature, complicated procedures and prolonged heating time, and the resulting product exhibits limited electrocatalytic performance. It has been challenging to develop energy-saving, facile and rapid synthetic methodologies for highly active spinels. In this Article, we report the synthesis of nanocrystalline MxMn3-xO4 (M = divalent metals) spinels under ambient conditions and their electrocatalytic application. We show rapid and selective formation of tetragonal or cubic MxMn3-xO4 from the reduction of amorphous MnO2 in aqueous M2+ solution. The prepared CoxMn3-xO4 nanoparticles manifest considerable catalytic activity towards the ORR/OER as a result of their high surface areas and abundant defects. The newly discovered phase-dependent electrocatalytic ORR/OER characteristics of Co-Mn-O spinels are also interpreted by experiment and first-principle theoretical studies.

  13. A new high-pressure phase of Fe2SiO4 and the relationship between spin and structural transitions

    Science.gov (United States)

    Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Kharlamova, S. A.; Struzhkin, V. V.; Gramsch, S.; Mao, H.; Hemley, R. J.

    2013-12-01

    Structure transformation of Fe2SiO4 Angle-dispersive powder x-ray diffraction was carried out at beam line 16-BMD APS. Structure of a new high-pressure phase of I-Fe2SiO4 spinel was determined by Rietveld profile fitting of x-ray diffraction data up to 64GPa at ambient temperature. A structural transition from the cubic spinel to the new structure was observed at 34GPa. Diffraction patterns taken at 44.6GPa and 54.6GPa indicate a two-phase mixture of spinel and new high-pressure phase. Reversible transition from I-Fe2SiO4 to spinel was confirmed. Laser heating experiment at 1500K proved the decomposition of Fe2SiO4 spinel to two oxides of FeO and SiO2. Spin transition X-ray emission measurements of Fe2SiO4 were carried out up to 65GPa at ambient temperature at beam line 16-IDD APS. The spin transition exerts an influence to Fe2SiO4 spinel structure and triggers two distinct curves of the lattice constant in the spinel phase. Although the compression curve of the spinel is discontinuous at approximately 20 GPa, Fe Kβ emission measurements show that the transition from a high spin (HS) to an intermediate spin (IS) state begins at 17GPa in the spinel phase. The IS electronic state is gradually enhanced with pressure, which results in an isostructural phase transition. HS-to-LS transition of iron bearing spinels starts from 15.6GPa in Fe3O4 and 19.6GPa in Fe2TiO4. The transition is more capable due to Fe2+ in the octahedral site. The extremely shortened octahedral bonds result in a distortion of 6-fold cation site. New structure of Fe2SiO4 Monte Carlo method was applied to find candidates for the high-pressure phase using the diffraction intensities with fixed lattice constants determined by DICVOL. Rietveld profile fitting was then performed using the initial model. The new structure is a body centered orthorhombic phase (I-Fe2SiO4) with space group Imma and Z=4, with two crystallographically distinct FeO6 octahedra. Silicon exists in six-fold coordination in I-Fe2Si

  14. Low Temperature Synthesis of Magnesium Aluminate Spinel

    International Nuclear Information System (INIS)

    Lebedovskaya, E.G.; Gabelkov, S.V.; Litvinenko, L.M.; Logvinkov, D.S.; Mironova, A.G.; Odejchuk, M.A.; Poltavtsev, N.S.; Tarasov, R.V.

    2006-01-01

    The low-temperature synthesis of magnesium-aluminum spinel is carried out by a method of thermal decomposition in combined precipitated hydrates. The fine material of magnesium-aluminium spinel with average size of coherent dispersion's area 4...5 nanometers is obtained. Magnesium-aluminum spinel and initial hydrates were investigated by methods of the differential thermal analysis, the x-ray phase analysis and measurements of weight loss during the dehydration and thermal decomposition. It is established that synthesis of magnesium-aluminum spinel occurs at temperature 300 degree C by method of the x-ray phase analysis

  15. Micro structural, electrical and optical properties of highly (2 2 0) oriented spinel Mn–Co–Ni–O film grown by radio frequency magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Wei; Zhang, Leibo; Ouyang, Cheng; Wu, Jing [National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, 500 Yu Tian Road, Shanghai 200083 (China); Huang, Zhiming, E-mail: zmhuang@mail.sitp.ac.cn [National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, 500 Yu Tian Road, Shanghai 200083 (China); Key Laboratory of Space Active Opto-Electronics Technology, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, 500 Yu Tian Road, Shanghai 200083 (China); Xu, Xiao-feng [College of science, Donghua Unversity, Shanghai (China)

    2014-08-30

    Highlights: • Highly (2 2 0) oriented Mn{sub 1.4}Co{sub 1.0}Ni{sub 0.6}O{sub 4} (MCN) films are grown by radio frequency sputtering method. • Post annealed MCN samples show a resistivity of 240–250 Ω cm and NTC value of 4% K{sup −1} at 295 K. • Improved oxygen stoichiometry and fine reproducibility are achieved after post annealing process. • Indirect optical band gaps are about 0.51 eV for as-grown MCN films and 0.57 eV for post annealed ones. - Abstract: Spinel AB{sub 2}O{sub 4} oxide Mn{sub 1.4}Co{sub 1.0}Ni{sub 0.6}O{sub 4} (MCN) films are fabricated on Al{sub 2}O{sub 3} amorphous substrate by radio frequency (RF) magnetron sputtering method at different sputtering powers. The surface morphology and microstructure of the films are studied by SEM, atomic force microscopy (AFM) and X-ray diffraction. A major advance is the sputtering deposition of highly oriented MCN thin films. Variable temperature electrical properties of the as-grown and post annealed samples are investigated in 230–325 K temperature range. The dependence of electrical properties on growth conditions is discussed in detail. The resistivity of annealed MCN films is about 240–250 Ω cm with a negative temperature coefficient of about 4% K{sup −1} at room temperature, which is a breakthrough for thermal sensing application by RF sputtering method. Optical properties of the MCN samples are studied within 0.33-10 μm band, and the optical bandgaps for the as-grown and post annealed MCN samples are about 0.51 eV and 0.57 eV, respectively.

  16. Study of helium behaviour in body-centered cubic structures for new nuclear reactor generations: experimental approach in well characterized materials

    International Nuclear Information System (INIS)

    Gorondy-Novak, Sofia Maria

    2017-01-01

    The presence of helium produced during the operation of future fast reactors and fusion reactors in core structural materials induces a deterioration of their mechanical properties (hardening, swelling, embrittlement). In order to pursue the development of the metallic structural alloys, it is necessary to comprehend the He interaction with the metal lattice thus the point in common is the study of the metallic components with body-centered cubic structure (bcc) of future alloys, such as iron and/or vanadium. Ion implantation of ions 4 He was employed with the aim of simulating the damaging effects associated with the helium accumulation, the point defects' creation (vacancies, self-interstitials) and the He cluster formation in future reactors. Helium evolution in pure iron and pure vanadium has been revealed from the point of view of the trapping sites' nature and well as the helium migration mechanisms and the nucleation/growth of bubbles. These phenomena were studied by coupling different complementary techniques. Despite of the fact that some mechanisms involved seem to be similar for both bcc metals, the comparison between the helium behavior in iron and vanadium shows certain differences. Microstructural defects, including grain boundaries and implanted helium concentration (dose) in both bcc metals will play significant roles on the helium behavior at high temperature. The acquired experimental data coupled with simulation methods contribute to the future development in terms of kinetic and thermodynamic data management of helium behavior in the metal components of the alloys of nuclear interest. (author) [fr

  17. Single-crystal elasticity of MgAl2O4-spinel up to 10.9 GPa and 1000 K: Implication for the velocity structure of the top upper mantle

    Science.gov (United States)

    Duan, Yunfei; Li, Xinyang; Sun, Ningyu; Ni, Huaiwei; Tkachev, Sergey N.; Mao, Zhu

    2018-01-01

    The combined effect of pressure and temperature on the single-crystal elasticity of MgAl2O4-spinel has been studied using Brillouin scattering and X-ray diffraction up to 10.9 GPa and 1000 K in externally-heated diamond anvil cells. The obtained single-crystal elastic moduli of MgAl2O4-spinel at ambient conditions are consistent with literature values and follow a linear increase with pressure at high temperatures. More importantly, the pressure dependence of the elastic moduli at high temperatures is much smaller than that at 300 K, indicating a stronger temperature effect on the elastic moduli of MgAl2O4-spinel at high pressures. Our new results were applied to model the sound velocity of MgAl2O4-spinel at relevant pressure and temperature conditions of the top upper mantle, showing that MgAl2O4-spinel has the greatest velocity and the VP /VS ratio among major mantle minerals. We further modeled the velocity of spinel-peridotite at the top upper mantle. Varying the composition of spinel-peridotite can lead to up to 2.1% variation in VP and 1.3% in VS. The top upper mantle with greater VP and VS should contain more olivine and spinel but less orthopyroxene. The velocity of the top upper mantle is thus strongly correlated with the composition of the region. Our results are thus important in understanding the composition and velocity of the top upper mantle.

  18. Raman spectroscopic study of solid solution spinel oxides

    Science.gov (United States)

    Hosterman, Brian D.

    Solid solution spinel oxides of composition MgxNi1-x Cr2O4, NiFexCr2-xO 4, and FexCr3-xO4 were synthesized and characterized using x-ray diffraction and Raman spectroscopy. Frequencies of the Raman-active modes are tracked as the metal cations within the spinel lattice are exchanged. This gives information about the dependence of the lattice vibrations on the tetrahedral and octahedral cations. The highest frequency Raman-active mode, A1g, is unaffected by substitution of the divalent tetrahedral cation, whereas the lower frequency vibrations are more strongly affected by substitution of the tetrahedral cation. The change in frequency of many phonons is nonlinear upon cation exchange. All detected modes of MgxNi1-xCr2O4 and FexCr3-xO4 exhibit one-mode behavior. Additional modes are detected in NiFexCr2-xO4 due to cation inversion of the spinel lattice. Results from the FexCr3-xO4 spinels are applied to identifying the corrosion layers of several stainless steel samples exposed to lead-bismuth eutectic in a high-temperature, oxygen controlled environment. The Raman spectrum of the outer corrosion layer in all steels is identified as Fe3O4. The position of the A 1g mode for the inner corrosion layer indicates an iron chromium spinel oxide. Micro-Raman spectroscopy proves capable of determining structural and compositional differences between complex corrosion layers of stainless steels.

  19. Solution of the Cubic

    Indian Academy of Sciences (India)

    Cardano's formula for solving a cubic is the crowning achievement of renaissance mathematics. Yet, it does not receive the same recognition in our curricula as does the quadratic formula, which was discovered long be- fore it. It is rather surprising that there have not been attempts to simplify further the messy formulas of ...

  20. Solution of the Cubic

    Indian Academy of Sciences (India)

    But they facilitated great advances in mathematics. Arabs, and the early Europeans who were to take off from where the Arabs had left, did not consider negative coefficients. Thus there were dozens of cases of the cubic equation to be considered. For example, the so-called depressed form alone, with square term absent, ...

  1. of the general cubic

    African Journals Online (AJOL)

    ES Obe

    algebraic solution of the reduced cubic equation x. 3. + px + q = 0. It is indisputable that Geronimus Cardano [1, .... Equation(la) is not suitable for direct manipulation and to simplify the algebra the following alternate reduced forms .... REFERENCES. 1. Smith, D. E. History of Mathematics, vol. II: Special Topics of Elementary ...

  2. Structural, electronic, optical and thermodynamic properties of cubic REGa{sub 3} (RE = Sc or Lu) compounds: Ab initio study

    Energy Technology Data Exchange (ETDEWEB)

    Murtaza, G., E-mail: murtaza@icp.edu.pk [Materials Modeling Laboratory, Department of Physics, Islamia College Peshawar (Pakistan); Gupta, S.K. [Department of Physics, Michigan Technological University, Houghton, MI 49931 (United States); Seddik, T. [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 Mascara (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 Mascara (Algeria); Alahmed, Z.A. [Department of Physics and Astronomy, College of Science, King Saud University, Riyadh 11451 (Saudi Arabia); Ahmed, R. [Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM Skudai, 81310 Johor (Malaysia); Khachai, H. [Physics Department, Djillali Liabes University of Sidi Bel-Abbes (Algeria); Jha, P.K. [Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar 364001 (India); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, Riyadh 11451 (Saudi Arabia)

    2014-06-01

    Highlights: • REGa{sub 3} (RE = Sc or Lu) compounds are mechanical stabile. • Both ScGa{sub 3} and LuGa{sub 3} exhibit metallic behavior just like other REGa{sub 3} compounds. • Melting temperature T{sub m} (K) for ScGa{sub 3} and LuGa{sub 3} are 1244.2 and 1143.8. • High absorption observed in the visible energy region. • The present study would be helpful for future experimental/theoretical explorations. - Abstract: Structural, elastic, optoelectronic and thermodynamic properties of REGa{sub 3} (RE = Sc and Lu) compounds have been studied self consistently by employing state of the art full potential (FP) linearized (L) approach of augmented plane wave (APW) plus local orbitals method. Calculations were executed at the level of Perdew–Burke and Ernzerhof (PBE) parameterized generalized gradient approximation (GGA) for exchange correlation functional in addition to modified Becke–Johnson (mBJ) potential. Our obtained results of lattice parameters show reasonable agreement to the previously reported experimental and other theoretical studies. Analysis of the calculated band structure of ScGa{sub 3} and LuGa{sub 3} compounds demonstrates their metallic character. Moreover, a positive value of calculated Cauchy pressure, in addition to reflecting their ductile nature, endorses their metallic character as well. To understand optical behavior calculations related to the important optical parameters; real and imaginary parts of the dielectric function, reflectivity R(ω), refractive index n(ω) and electron energy-loss function L(ω) have also been performed. In the present work, thermodynamically properties are also investigated by employing lattice vibrations integrated in quasi harmonic Debye model. Obtained results of volume, heat capacity and Debye temperature as a function of temperature for both compounds, at different values of pressure, are found to be consistent. The calculated value of melting temperature for both compounds (ScGa{sub 3} and Lu

  3. Temperature dependent evolution of the electronic and local atomic structure in the cubic colossal magnetoresistive manganite La1-xSrxMnO3

    Energy Technology Data Exchange (ETDEWEB)

    Arenholz, Elke; Mannella, N.; Booth, C.H.; Rosenhahn, A.; Sell, B.C.; Nambu, A.; Marchesini, S.; Mun, B. S.; Yang, S.-H.; Watanabe, M.; Ibrahim, K.; Arenholz, E.; Young, A.; Guo, J.; Tomioka, Y.; Fadley, C.S.

    2007-12-06

    We have studied the temperature-dependent evolution of the electronic and local atomic structure in the cubic colossal magnetoresistive manganite La{sub 1-x}Sr{sub x}MnO{sub 3} (x= 0.3-0.4) with core and valence level photoemission (PE), x-ray absorption spectroscopy (XAS), x-ray emission spectroscopy (XES), resonant inelastic x-ray scattering (RIXS), extended x-ray absorption fine structure (EXAFS) spectroscopy and magnetometry. As the temperature is varied across the Curie temperature T{sub c}, our PE experiments reveal a dramatic change of the electronic structure involving an increase in the Mn spin moment from {approx} 3 {micro}B to {approx} 4 {micro}B, and a modification of the local chemical environment of the other constituent atoms indicative of electron localization on the Mn atom. These effects are reversible and exhibit a slow-timescale {approx}200 K-wide hysteresis centered at T{sub c}. Based upon the probing depths accessed in our PE measurements, these effects seem to survive for at least 35-50 {angstrom} inward from the surface, while other consistent signatures for this modification of the electronic structure are revealed by more bulk sensitive spectroscopies like XAS and XES/RIXS. We interpret these effects as spectroscopic fingerprints for polaron formation, consistent with the presence of local Jahn-Teller distortions of the MnO{sub 6} octahedra around the Mn atom, as revealed by the EXAFS data. Magnetic susceptibility measurements in addition show typical signatures of ferro-magnetic clusters formation well above the Curie temperature.

  4. An efficient zero-order description of the fine structure in the infrared reflection band of cubic ionic crystals and the phonon-polariton dispersion using Lorentz gauge

    Science.gov (United States)

    Meskers, Stefan C. J.

    2018-03-01

    The reflection of infrared light by ionic crystals with cubic symmetry such as lithium fluoride, LiF, is analyzed in terms of phonon-polaritons. In contrast to the conventional view on phonon-polaritons that uses the Coulomb gauge and assumes a purely local dielectric response of the material, we here develop an alternative description making use of the Lorentz gauge. This involves retarded interactions between charges, implying a non-local response of the material to electromagnetic radiation. The resulting new phonon-polariton dispersion relation features polaritons with negative group velocity in the frequency range in between the transverse (ωT) and longitudinal frequency (ωL). By contrast, the conventional description predicts, in zero order, the absence of any propagating polaritons in the frequency interval between ωT and ωL. The new dispersion relation provides an efficient, zero-order description of the fine structure within the reststrahlen band of LiF. The local minimum near the middle of the reflectance band is due to excitation of a phonon-polariton whose energy and momentum matches that of the incoming photon. The Lorentz gauge description can also describe off-normal reflection and accounts for the experimentally observed widening of the reflection band with increasing angle of incidence.

  5. Shape control and associated magnetic properties of spinel cobalt ferrite nanocrystals.

    Science.gov (United States)

    Song, Qing; Zhang, Z John

    2004-05-19

    By combining nonhydrolytic reaction with seed-mediated growth, high-quality and monodisperse spinel cobalt ferrite, CoFe(2)O(4), nanocrystals can be synthesized with a highly controllable shape of nearly spherical or almost perfectly cubic. The shape of the nanocrystals can also be reversibly interchanged between spherical and cubic morphology through controlling nanocrystal growth rate. Furthermore, the magnetic studies show that the blocking temperature, saturation, and remanent magnetization of nanocrystals are solely determined by the size regardless the spherical or cubic shape. However, the shape of the nanocrystals is a dominating factor for the coercivity of nanocrystals due to the effect of surface anisotropy. Such magnetic nanocrystals with distinct shapes possess tremendous potentials in fundamental understanding of magnetism and in technological applications of magnetic nanocrystals for high-density information storage.

  6. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald

    2016-01-01

    terms. CTT provides a computational interpretation of functional extensionality, enjoys canonicity for the natural numbers type, and is conjectured to support decidable type-checking. Our new type theory, guarded cubical type theory (GCTT), provides a computational interpretation of extensionality......This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning...... with coinductive types. We wish to implement GDTT with decidable type checking, while still supporting non-trivial equality proofs that reason about the extensions of guarded recursive constructions. CTT is a variation of Martin-L\\"of type theory in which the identity type is replaced by abstract paths between...

  7. Connected Cubic Network Graph

    Directory of Open Access Journals (Sweden)

    Burhan Selçuk

    2017-06-01

    Full Text Available Hypercube is a popular interconnection network. Due to the popularity of hypercube, more researchers pay a great effort to develop the different variants of hypercube. In this paper, we have proposed a variant of hypercube which is called as “Connected Cubic Network Graphs”, and have investigated the Hamilton-like properties of Connected Cubic Network Graphs (CCNG. Firstly, we defined CCNG and showed the characteristic analyses of CCNG. Then, we showed that the CCNG has the properties of Hamilton graph, and can be labeled using a Gray coding based recursive algorithm. Finally, we gave the comparison results, a routing algorithm and a bitonic sort algorithm for CCNG. In case of sparsity and cost, CCNG is better than Hypercube.

  8. Synthesis of octahedral, truncated octahedral, and cubic Rh2Ni nanocrystals and their structure-activity relationship for the decomposition of hydrazine in aqueous solution to hydrogen

    Science.gov (United States)

    Li, Chun; Wang, Tao; Chu, Wei; Wu, Ping; Tong, Dong Ge

    2016-03-01

    We developed a co-reduction method to synthesize octahedral, truncated octahedral, and cubic Rh2Ni nanocrystals. The shape/size distribution, structural characteristics, and composition of the Rh2Ni nanocrystals are investigated, and their possible formation mechanism at high temperatures in margaric acid/1-aminoheptadecane solution in the presence of tetraethylgermanium and borane trimethylamine complexes is proposed. A preliminary probing of the structure-activity dependence of the surface ``clean'' Rh2Ni nanocrystals supported on carbon towards hydrazine (N2H4) in aqueous solution dehydrogenation revealed that the higher the percentage of {111} facets, the higher is the activity and H2 selectivity of the nanocrystals. This result was attributed to the {111} facets not only introducing more basic sites, but also weakening the interaction between the produced adspecies (including H2 and NHx) and surface metal atoms in comparison with those of {100} facets. Furthermore, the as-prepared Rh2Ni nanooctahedra exhibited 100% H2 selectivity and high activity at room temperature for H2 generation via N2H4 decomposition. The activation energy of the Rh2Ni nanooctahedra was 41.6 +/- 1.2 kJ mol-1. The Rh2Ni nanooctahedra were stable catalysts for the hydrolytic dehydrogenation of N2H4, providing 27 723 total turnovers in 30 h. Our work provides a new perspective concerning the possibility of constructing hydrogen-producing systems based on N2H4 and surface ``clean'' Rh2Ni nanocrystal catalysts with defined shapes supported on carbon that possess a competitive performance in comparison with NaBH4 and NH3BH3 hydrogen-producing systems for fuel cell applications.We developed a co-reduction method to synthesize octahedral, truncated octahedral, and cubic Rh2Ni nanocrystals. The shape/size distribution, structural characteristics, and composition of the Rh2Ni nanocrystals are investigated, and their possible formation mechanism at high temperatures in margaric acid/1

  9. Reducing agent (NaBH4) dependent structure, morphology and magnetic properties of nickel ferrite (NiFe2O4) nanorods

    Science.gov (United States)

    Saravanakumar, B.; Rani, B. Jansi; Ravi, G.; Thambidurai, M.; Yuvakkumar, R.

    2017-04-01

    Nickel ferrite (Ni-Fe2O4) nanorods were synthesized employing a simple chemical reduction method. Reducing agent (NaBH4) influence on structural, morphological and magnetic properties of NiFe2O4 nanorods was investigated. XRD results clearly revealed the presence of inverse cubic spinel nickel ferrite structure characteristic peaks and confirmed the site inversion of inverse spinel structure of Fe3+ tetrahedral A site and Ni2+ octahedral B site. The observed Raman characteristic peak at 488 and 683 cm-1 were corresponded to E1 g and A1 g mode whereas A and B site respectively corresponded to tetrahedral and octahedral site of NiFe2O4 inverse spinel structure. The obtained PL peaks at 530 and 542 nm were attributed to the emission spectra of Fe3+ ions in site A of inverse spinel structure and Ni2+ ions in site B of inverse spinel structure respectively. SEM result clearly revealed that increase in NaBH4 concentration had remarkable impact on nanorods formation, nano-octahedron structure, homogeneity and regularity of Ni-Ferrites. VSM studies clearly revealed the soft ferromagnetic nature of NiFe2O4 and increase in NaBH4 concentration further induced raise in metal cations concentration in A- and B- site which might impact the resultant magnetization of ferrites.

  10. Magnetic characterization of rare earth doped spinel ferrite

    Science.gov (United States)

    Abdellatif, M. H.; El-Komy, G. M.; Azab, A. A.

    2017-11-01

    Doping spinel structure with large rare earth ions can alter the physical properties of the lattice, which can be used for tuning the magnetic and electrical properties of the ferrite material. We investigated the effect of rare earth doping on the crystal properties such as magnetoimpedance. The X-ray and HRTEM data revealed that the strain increases with increasing the ionic radius of the rare-earth. The Study implemented three types of rare earth, namely Dy, Gd, and Sm. The rare earth ions are in the Spinel crystal of Mn-Cr ferrite. The magnetoimpedance showed all negative slope, with the Gd-doped Mn-Cr ferrite sample, have the giant magnetoimpedance up to 60% drop in impedance at electric field frequency 10 kHz. The magnetisation and remanence of the samples were correlated to the microstrain, in which the magnetisation and remanence of the rare earth doped Mn-Cr ferrite samples decrease as the microstrain increases.

  11. Most pressurized elements are not simple cubic

    Czech Academy of Sciences Publication Activity Database

    Legut, Dominik; Friák, Martin; Šob, Mojmír

    2008-01-01

    Roč. 61, č. 9 (2008), s. 10-11 ISSN 0031-9228 R&D Projects: GA MŠk OC 147; GA AV ČR IAA1041302 Institutional research plan: CEZ:AV0Z20410507 Keywords : electronic structure * simple cubic structure * phase transformations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.674, year: 2008

  12. Impact of disorder on ionic charge in spinel compounds

    Energy Technology Data Exchange (ETDEWEB)

    Surble, Suzy [Materiaux fonctionnels pour l' energie, CEA - CNRS - Ecole Centrale Paris, CEA/DEN/SRMA 91191 Gif-sur-Yvette and SPMS, 92295 Chatenay-Malabry (France)], E-mail: suzy.surble@ecp.fr; Baldinozzi, Gianguido; Simeone, David; Gosset, Dominique [Materiaux fonctionnels pour l' energie, CEA - CNRS - Ecole Centrale Paris, CEA/DEN/SRMA 91191 Gif-sur-Yvette and SPMS, 92295 Chatenay-Malabry (France); Thome, Lionel [CSNSM, CNRS - Universite d' Orsay, 91405 Orsay (France)

    2008-06-15

    In order to obtain a correlation between the ionic charge and the local environment, the evolution of valence charges of cations in different 2-3 spinel compounds was investigated as a function of the temperature. The evolution of the structural parameters in normal (MgAl{sub 2}O{sub 4}), mixed (MgGa{sub 2}O{sub 4}) and inverse (MgIn{sub 2}O{sub 4}) spinels as a function of the temperature was extracted from X-ray diffraction patterns collected during different thermal annealings. The evolution of these structural parameters as a function of the disorder is analyzed within the bond valence shell model: large variations of the cation valence are observed in these three spinel compounds. From this analysis, a strong correlation between the change of the cation valence and the local disorder is pointed out. Including this dependence in the microscopic models may provide a better agreement between experimental observations and simulations.

  13. Cation disorder in high-dose, neutron-irradiated spinel

    International Nuclear Information System (INIS)

    Sickafus, K.E.; Larson, A.C.; Yu, N.; Nastasi, M.; Hollenberg, G.W.; Garner, F.A.; Bradt, R.C.

    1994-08-01

    The objective of this effort is to determine whether MgAl 2 O 4 spinel is a suitable ceramic for fusion applications. Here, the crystal structures of MgAl 2 O 4 spinel single crystals irradiated to high neutron fluences [>5·10 26 n/m 2 (E n > 0.1 MeV)] were examined by neutron diffraction. Crystal structure refinement of the highest dose sample indicated that the average scattering strength of the tetrahedral crystal sites decreased by ∼ 20% while increasing by ∼ 8% on octahedral sites. Since the neutron scattering length for Mg is considerably larger than for Al, this results is consistent with site exchange between Mg 2+ ions on tetrahedral sites and Al 3+ ions on octahedral sites. Least-squares refinements also indicated that, in all irradiated samples, at least 35% of Mg 2+ and Al 3+ ions in the crystal experienced disordering replacements. This retained dpa on the cation sublattices is the largest retained damage ever measured in an irradiated spinel material

  14. Phase boundary between cubic B1 and rhombohedral structures in (Mg,Fe)O magnesiowüstite determined by in situ X-ray diffraction measurements

    Science.gov (United States)

    Dymshits, Anna M.; Litasov, Konstantin D.; Shatskiy, Anton; Chanyshev, Artem D.; Podborodnikov, Ivan V.; Higo, Yuji

    2018-01-01

    The phase relations and equation of state of (Mg0.08Fe0.92)O magnesiowüstite (Mw92) have been studied using the Kawai-type high-pressure apparatus coupled with synchrotron radiation. To determine the phase boundary between the NaCl-type cubic (B1) and rhombohedral ( rB1) structures in Mw92, in situ X-ray observations were carried out at pressures of 0-35 GPa and temperatures of 300-1473 K. Au and MgO were used as the internal pressure markers and metallic Fe as oxygen fugacity buffer. The phase boundary between B1 and rB1 structures was described by a linear equation P (GPa) = 1.6 + 0.033 × T (K). The Clapeyron slope (d P/d T) determined in this study is close to that obtained at pressures above 70 GPa but steeper than that obtained for FeO. An addition of MgO to FeO structure expands the stability field of the rB1 phase to lower pressures and higher temperatures. Thus, the rB1 phase may be stabilized with respect to the B1 phase at a lower pressures. The pressure-volume-temperature equation of state of B1-Mw92 was determined up to 30 GPa and 1473 K. Fitting the hydrostatic compression data up to 30 GPa with the Birch-Murnaghan equation of state (EoS) yielded: unit cell volume ( V 0, T0), 79.23 ± 4 Å3; bulk modulus ( K 0, T0), 183 ± 4 GPa; its pressure derivative ( K' T ), 4.1 ± 0.4; (∂ K 0, T /∂ T) = -0.029 ± 0.005 GPa K‒1; a = 3.70 ± 0.27 × 10-5 K-1 and b = 0.47 ± 0.49 × 10-8 K-2, where α0, T = a + bT is the volumetric thermal expansion coefficient. The obtained bulk modulus of Mw92 is very close to the value expected for stoichiometric iron-rich (Mg,Fe)O. This result confirms the idea that the bulk modulus of (Mg,Fe)O is greatly affected by the actual defect structure, caused by either Mg2+ or vacancies.

  15. Influence of Zn Substitution on Structural, Magnetic and Electrical Properties of MgFe2O4

    Science.gov (United States)

    Ramarao, K.; Rajesh Babu, B.; Kishore Babu, B.; Veeraiah, V.; Ramarao, S. D.; Rajasekhar, K.; Venkateswara Rao, A.

    2018-03-01

    Polycrystalline spinel ferrites Zn x Mg1-x Fe2O4 (where x = 0.0, 0.1, 0.15, 0.2, 0.25 and 0.3) were prepared by standard ceramic method and characterized by x-ray diffraction, Fourier transform infrared spectroscopy (FTIR), and vibrating sample magnetometer. Structural, electric and magnetic properties have been discussed in detail on the basis of Zn composition. The composition shows formation of a single-phase cubic spinel structure and the lattice constant `a' increases with increasing Zn concentration. FTIR spectra show two prominent frequency bands in the wave number range 400-600 cm-1, which further confirms the cubic spinel structure and completion of chemical reaction. Magnetic studies revealed that the saturation magnetization increases with increasing the substitution of Zn. Cation distribution for the present system was estimated by comparing observed and calculated x-ray line intensities. From this it is observed that Zn2+ ions prefer to occupy A sites, and Mg2+ and Fe3+ ions distributed into both A and B sites. The observed variation in magnetization has been explained on the basis of distribution of cations among A and B sites of the spinel lattice. A significant influence of cation distribution is observed on DC electrical resistivity and activation energy.

  16. Density functional theory based comparative study of electronic structures and magnetic properties of spinel ACr2O4 (A  =  Mn, Fe, Co, Ni) compounds

    Science.gov (United States)

    Das, Debashish; Ghosh, Subhradip

    2015-10-01

    Using the DFT+U method and generalized gradient approximation (GGA) we perform the first systematic study of the chromite series ACr2O4 (A  =  Mn, Fe, Co, Ni) by computing their structural and magnetic properties. The results are analyzed by their electronic structures. We find that in spite of varying structural distortions, the electronic structures are very similar across the series. Such similarities are responsible for qualitative uniformities in their magnetic phases at low temperatures, as observed in the experiments. We find that the strong electron-electron correlation, along with competing magnetic exchange splitting and the crystal field splitting, are responsible for their electronic properties such as the electronic band gaps. Our results regarding the magnetic exchange parameters are in good agreement with the available results and show the relative importance of the pairwise exchange interactions in each of the compounds. The ground state magnetic spin structures and the ferrimagnetic transition temperatures obtained from these exchange parameters, in combination with a phenomenological theory, qualitatively agree with the experiments and other theoretical results.

  17. Exploiting the P L2,3 absorption edge for optics: spectroscopic and structural characterization of cubic boron phosphide thin films

    NARCIS (Netherlands)

    Huber, Sebastiaan; Medvedev, Viacheslav; Meyer-Ilse, J.; Gullikson, E.; Padavala, B.; Edgar, J.H.; Sturm, Jacobus Marinus; van de Kruijs, Robbert Wilhelmus Elisabeth; Prendergast, D.; Bijkerk, Frederik

    2016-01-01

    The transmission of cubic boron phosphide (c-BP) thin films, prepared by chemical vapor deposition (CVD), was evaluated near the phosphorous L2,3 and boron K absorption edge. The c-BP films were analyzed with transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and X-ray

  18. Thermobarometry for spinel lherzolite xenoliths in alkali basalts

    Science.gov (United States)

    Ozawa, Kazuhito; Youbi, Nasrrddine; Boumehdi, Moulay Ahmed; Nagahara, Hiroko

    2016-04-01

    Application of geothermobarometers to peridotite xenoliths has been providing very useful information on thermal and chemical structure of lithospheric or asthenospheric mantle at the time of almost instantaneous sampling by the host magmas, based on which various thermal (e.g., McKenzie et al., 2005), chemical (e.g., Griffin et al., 2003), and rheological (e.g., Ave Lallemant et al., 1980) models of lithosphere have been constructed. Geothermobarometry for garnet or plagioclase-bearing lithologies provide accurate pressure estimation, but this is not the case for the spinel peridotites, which are frequently sampled from Phanerozoic provinces in various tectonic environments (Nixon and Davies, 1987). There are several geobarometers proposed for spinel lherzolite, such as single pyroxene geothermobarometer (Mercier, 1980) and geothermobarometer based on Ca exchange between olivine and clinopyroxene (Köhler and Brey, 1990), but they have essential problems and it is usually believed that appropriated barometers do not exist for spinel lherzolites (O'Reilly et al., 1997; Medaris et al., 1999). It is thus imperative to develop reliable barometry for spinel peridotite xenoliths. We have developed barometry for spinel peridotite xenoliths by exploiting small differences in pressure dependence in relevant reactions, whose calibration was made through careful evaluation of volume changes of the reactions. This is augmented with higher levels of care in application of barometer by choosing mineral domains and their chemical components that are in equilibrium as close as possible. This is necessary because such barometry is very sensitive to changes in chemical composition induced by transient state of the system possibly owing to pressure and temperature changes as well as chemical modification, forming chemical heterogeneity or zoning frequently reported from various mantle xenoliths (Smith, 1999). Thus very carful treatment of heterogeneity, which might be trivial for

  19. Some elements go cubic under pressure

    Czech Academy of Sciences Publication Activity Database

    Legut, Dominik

    2007-01-01

    Roč. 60, č. 10 (2007), s. 17-17 ISSN 0031-9228 Institutional research plan: CEZ:AV0Z20410507 Keywords : ab initio * polonium * cubic structure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 5.133, year: 2007

  20. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald

    2016-01-01

    types. This further expands the foundations of CTT as a basis for formalisation in mathematics and computer science. We present examples to demonstrate the expressivity of our type theory, all of which have been checked using a prototype type-checker implementation, and present semantics in a presheaf......This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning...... with coinductive types. We wish to implement GDTT with decidable type-checking, while still supporting non-trivial equality proofs that reason about the extensions of guarded recursive constructions. CTT is a variation of Martin-L\\"of type theory in which the identity type is replaced by abstract paths between...

  1. Detoxification and immobilization of chromite ore processing residue in spinel-based glass-ceramic

    Energy Technology Data Exchange (ETDEWEB)

    Liao, Chang-Zhong [Guangdong Key Laboratory of Agricultural Environment Pollution Integrated Control, Guangdong Institute of Eco-Environmental and Soil Sciences, Guangzhou 510650 (China); Department of Civil Engineering, The University of Hong Kong, Pokfulam Road, Hong Kong Special Administrative Region (China); Tang, Yuanyuan [School of Environmental Science and Engineering, South University of Science and Technology of China, Shenzhen 518055 (China); Lee, Po-Heng [Department of Civil & Environmental Engineering, The Hong Kong Polytechnic University, Hong Kong Special Administrative Region (China); Liu, Chengshuai, E-mail: csliu@soil.gd.cn [Guangdong Key Laboratory of Agricultural Environment Pollution Integrated Control, Guangdong Institute of Eco-Environmental and Soil Sciences, Guangzhou 510650 (China); State Key Laboratory of Environmental Geochemistry, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550009 (China); Shih, Kaimin, E-mail: kshih@hku.hk [Department of Civil Engineering, The University of Hong Kong, Pokfulam Road, Hong Kong Special Administrative Region (China); Li, Fangbai [Guangdong Key Laboratory of Agricultural Environment Pollution Integrated Control, Guangdong Institute of Eco-Environmental and Soil Sciences, Guangzhou 510650 (China)

    2017-01-05

    Graphical abstract: Schematic illustration of detoxification and immobilization of chromite ore processing residue in spinel-based glass-ceramic matrix. All Cr(VI) species is reduced to Cr(III) and most chromium contents are incorporated into spinel structure where the residual chromium are resided in the glass networks. - Highlights: • COPR was detoxified and immobilized in a spinel-based glass-ceramic matrix. • Cr-rich crystalline phase was determined to be MgCr{sub 1.32}Fe{sub 0.19}Al{sub 0.49}O{sub 4} spinel. • The partitioning ratio of Cr into spinel in the glass-ceramic can be up to 77%. • No Cr(VI) was observed after conversion of COPR into a glass-ceramic. • TCLP results demonstrate the superiority of the final product in immobilizing Cr. - Abstract: A promising strategy for the detoxification and immobilization of chromite ore processing residue (COPR) in a spinel-based glass-ceramic matrix is reported in this study. In the search for a more chemically durable matrix for COPR, the most critical crystalline phase for Cr immobilization was found to be a spinel solid solution with a chemical composition of MgCr{sub 1.32}Fe{sub 0.19}Al{sub 0.49}O{sub 4}. Using Rietveld quantitative X-ray diffraction analysis, we identified this final product is with the phases of spinel (3.5 wt.%), diopside (5.2 wt.%), and some amorphous contents (91.2 wt.%). The partitioning ratio of Cr reveals that about 77% of the Cr was incorporated into the more chemically durable spinel phase. The results of Cr K-edge X-ray absorption near-edge spectroscopy show that no Cr(VI) was observed after conversion of COPR into a glass-ceramic, which indicates successful detoxification of Cr(VI) into Cr(III) in the COPR-incorporated glass-ceramic. The leaching performances of Cr{sub 2}O{sub 3} and COPR-incorporated glass-ceramic were compared with a prolonged acid-leaching test, and the results demonstrate the superiority of the COPR-incorporated glass-ceramic matrix in the

  2. Syndeformation Chrome Spinels Inclusions in the Plastically Deformed Olivine Aggregates (Kraka Ophiolites, the Southern Urals

    Directory of Open Access Journals (Sweden)

    D. E. Saveliev

    2015-12-01

    Full Text Available This article presents the results of structural, petrographic, mineralogical and chemical studies of dunite veinlets in spinel peridotite from the Kraka ophiolites. It is demonstrated that plastic deformation of polycrystalline olivine, which form dunite, was accompanied by precipitation of impurities (aluminum and chrome as newly formed chrome spinels. The thinnest acicular inclusions of 0.3-0.5 micron thick are aligned in olivine grains along [010] axis. Bigger elongated irregular chrome spinel grains usually occur along grain and sub-grain olivine boundaries, and, occasionally, inside the grains along [100] axis. Alteration from the fine xenomorphic grains of chrome spinels to the bigger idiomorphic crystals was observed. Analogically to dynamic ageing (dispersion hardening in metals, the structural and chemical alterations in dunites are interpreted as deformation induced segregation of impurities. It is suggested that the euhedral chrome spinel grains typical for ophiolitic dunites were formed by coalescence and spheroidization. This process may be a key factor in the formation of ophiolitic chrome ore deposits.

  3. Direct observation of cation distributions of ideal inverse spinel CoFe2O4nanofibres and correlated magnetic properties.

    Science.gov (United States)

    Zeng, Xue; Zhang, Junwei; Zhu, Shimeng; Deng, Xia; Ma, Hongbin; Zhang, Junli; Zhang, Qiang; Li, Peng; Xue, Desheng; Mellors, Nigel J; Zhang, Xixiang; Peng, Yong

    2017-06-08

    Low-dimensional spinel ferrites have recently attracted increasing attention because their tunable magnetic properties make them attractive candidates as spin-filtering tunnel barriers in spintronic devices and as magnetic components in artificial multiferroic heterostructures. Although we know that the distribution of cations (Fe 3+ and Co 2+ ) in a spinel structure governs its magnetic properties, their distribution in the so-called ideal inverse spinel structure of a ferrite, CoFe 2 O 4 , has not yet been imaged with sub-ångstrom resolution. In this work, we fill this gap in evidence by reporting a direct observation of the distribution of cations in an ideal inverse spinel structure of CoFe 2 O 4 nanofibres using aberration-corrected transmission electron microscopy (TEM). The ordering of Co 2+ and Fe 3+ at the octahedral sites imaged along either [001], [011] or [-112] orientation was identified as 1 : 1, in accordance with the ideal inverse spinel structure. The saturation magnetisation calculated based on the crystal structure as determined from the TEM image is in good agreement with that measured experimentally on the spinel CoFe 2 O 4 nanofibres, further confirming results from TEM.

  4. Direct observation of cation distributions of ideal inverse spinel CoFe2O4 nanofibres and correlated magnetic properties

    KAUST Repository

    Zeng, Xue

    2017-04-25

    Low-dimensional spinel ferrites have recently attracted increasing attention because their tunable magnetic properties make them attractive candidates as spin-filtering tunnel barriers in spintronic devices and as magnetic components in artificial multiferroic heterostructures. Although we know that the distribution of cations (Fe3+ and Co2+) in a spinel structure governs its magnetic properties, their distribution in the so-called ideal inverse spinel structure of a ferrite, CoFe2O4, has not yet been imaged with sub-ångstrom resolution. In this work, we fill this gap in evidence by reporting a direct observation of the distribution of cations in an ideal inverse spinel structure of CoFe2O4 nanofibres using aberration-corrected transmission electron microscopy (TEM). The ordering of Co2+ and Fe3+ at the octahedral sites imaged along either [001], [011] or [-112] orientation was identified as 1 : 1, in accordance with the ideal inverse spinel structure. The saturation magnetisation calculated based on the crystal structure as determined from the TEM image is in good agreement with that measured experimentally on the spinel CoFe2O4 nanofibres, further confirming results from TEM.

  5. Interpolation of natural cubic spline

    Directory of Open Access Journals (Sweden)

    Arun Kumar

    1992-01-01

    Full Text Available From the result in [1] it follows that there is a unique quadratic spline which bounds the same area as that of the function. The matching of the area for the cubic spline does not follow from the corresponding result proved in [2]. We obtain cubic splines which preserve the area of the function.

  6. HRTEM studies of dislocations in cubic BN

    International Nuclear Information System (INIS)

    Nistor, L.C.; Tendeloo, G. van; Dinca, G.

    2004-01-01

    The atomic structure of dislocations in cubic boron nitride has been investigated by high resolution transmission electron microscopy. Most of the perfect dislocations, screw and 60 edge, are dissociated. A 60 dislocation which was undissociated has been analysed. Computer simulation is performed in an attempt to characterise the core structure. Twinning dislocations and dislocations resulting from the intersection of stacking faults are also revealed. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. HRTEM studies of dislocations in cubic BN

    Energy Technology Data Exchange (ETDEWEB)

    Nistor, L.C. [National Institute for Materials Physics, P.O. Box MG-7 Magurele, 077125 Bucharest (Romania); Tendeloo, G. van [University of Antwerp, EMAT, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Dinca, G. [Dacia Synthetic Diamond Factory, Timisoara av. 5, P.O. Box 58-52, 077350 Bucharest (Romania)

    2004-09-01

    The atomic structure of dislocations in cubic boron nitride has been investigated by high resolution transmission electron microscopy. Most of the perfect dislocations, screw and 60 edge, are dissociated. A 60 dislocation which was undissociated has been analysed. Computer simulation is performed in an attempt to characterise the core structure. Twinning dislocations and dislocations resulting from the intersection of stacking faults are also revealed. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. A crystallographic and spectroscopic study of crystal sites in the 'spinel' structure; Etude cristallographique et spectroscopique des sites cristallins dans la structure 'spinelle'

    Energy Technology Data Exchange (ETDEWEB)

    Drifford, M. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-06-15

    A crystallographic study on magnesium aluminates led to the determination of crystal site average distortion. A spectroscopic study of transition elements doped spinels gave the position of the doping element in tetrahedral (A) or octahedral (B) sites, and the local distortion of the latter. The comparison of average and local parameters points to differences in the behaviour of doping elements and shows the size of (A) sites are independent of the host crystal composition while the average size of (B) sites varies with the composition. (author) [French] Une etude cristallographique des aluminates de magnesium a permis de determiner la deformation moyenne des sites cristallins. Une etude spectroscopique des aluminates de magnesium dopes avec des elements de transition a permis de localiser les dopants entre les sites tetraedriques (A) et octaedriques (B) et d'etudier la deformation locale de ces sites. La comparaison entre les parametres moyens et locaux a caracterise le comportement du dopant et montre que les dimensions des sites (A) sont independantes de la composition de la matrice, alors que les caracteristiques geometriques moyennes des sites (B) varient continument avec la composition. (auteur)

  9. Iron-substituted cubic silsesquioxane pillared clays : Synthesis, characterization and acid catalytic activity

    NARCIS (Netherlands)

    Potsi, Georgia; Ladavos, Athanasios K.; Petrakis, Dimitrios; Douvalis, Alexios P.; Sanakis, Yiannis; Katsiotis, Marios S.; Papavassiliou, Georgios; Alhassan, Saeed; Gournis, Dimitrios; Rudolf, Petra

    2018-01-01

    Novel pillared structures were developed from the intercalation of iron-substituted cubic silsesquioxanes in a sodium and an acid-activated montmorillonite nanoclay and evaluated as acid catalysts. Octameric cubic oligosiloxanes were formed upon controlled hydrolytic polycondensation of the

  10. Micromagnetic simulations of spinel ferrite particles

    Energy Technology Data Exchange (ETDEWEB)

    Dantas, Christine C., E-mail: ccdantas@iae.cta.b [Divisao de Materiais (AMR), Instituto de Aeronautica e Espaco (IAE), Departamento de Ciencia e Tecnologia Aeroespacial - DCTA (Brazil); Gama, Adriana M., E-mail: adriana-gama@uol.com.b [Divisao de Materiais (AMR), Instituto de Aeronautica e Espaco (IAE), Departamento de Ciencia e Tecnologia Aeroespacial - DCTA (Brazil)

    2010-10-15

    This paper presents the results of simulations of the magnetization field ac response (at 2-12 GHz) of various submicron ferrite particles (cylindrical dots). The ferrites in the present simulations have the spinel structure, expressed here by M{sub 1}-{sub n}Zn{sub n}Fe{sub 2}O{sub 4} (where M stands for a divalent metal), and the parameters chosen were the following: (a) for n=0: M={l_brace}Fe, Mn, Co, Ni, Mg, Cu {r_brace}; (b) for n=0.1: M = {l_brace}Fe, Mg{r_brace} (mixed ferrites). These runs represent full 3D micromagnetic (one-particle) ferrite simulations. We find evidences of confined spin waves in all simulations, as well as a complex behavior nearby the main resonance peak in the case of the M = {l_brace}Mg, Cu{r_brace} ferrites. A comparison of the n=0 and n=0.1 cases for fixed M reveals a significant change in the spectra in M = Mg ferrites, but only a minor change in the M=Fe case. An additional larger scale simulation of a 3 by 3 particle array was performed using similar conditions of the Fe{sub 3}O{sub 4} (magnetite; n=0, M = Fe) one-particle simulation. We find that the main resonance peak of the Fe{sub 3}O{sub 4} one-particle simulation is disfigured in the corresponding 3 by 3 particle simulation, indicating the extent to which dipolar interactions are able to affect the main resonance peak in that magnetic compound.

  11. Covalent Hybrid of Spinel Manganese-Cobalt Oxide and Gra-phene as Advanced Oxygen Reduction Electrocatalysts

    OpenAIRE

    Liang, Yongye; Wang, Hailiang; Zhou, Jigang; Li, Yanguang; Wang, Jian; Regier, Tom; Dai, Hongjie

    2012-01-01

    Through direct nanoparticle nucleation and growth on nitrogen doped, reduced graphene oxide sheets and cation substitution of spinel Co3O4 nanoparticles, a manganese-cobalt spinel MnCo2O4/graphene hybrid was developed as a highly efficient electrocatalyst for oxygen reduction reaction (ORR) in alkaline conditions. Electrochemical and X-ray near edge structure (XANES) investigations revealed that the nucleation and growth method for forming inorganic-nanocarbon hybrid results in covalent coupl...

  12. Structural and magnetic studies of Cr doped nickel ferrite thin films

    Energy Technology Data Exchange (ETDEWEB)

    Panwar, Kalpana, E-mail: kalpanapanwar99@gmail.com [Department of Pure & Applied Physics, University of Kota, Kota-324010 (India); Department of Physics, Govt. Women Engg. College, Ajmer-305002 (India); Heda, N. L. [Department of Pure & Applied Physics, University of Kota, Kota-324010 (India); Tiwari, Shailja [Department of Physics, Govt. Women Engg. College, Ajmer-305002 (India); Bapna, Komal; Ahuja, B. L. [Department of Physics, M. L. Sukhadia University, Udaipur-313001 (India); Choudhary, R. J.; Phase, D. M. [UGC-DAE Consortium for Scientific Research, University Campus, Indore-452017 (India)

    2016-05-23

    We have studied the structural and magnetic properties of Cr doped nickel ferrite thin films deposited on Si (100) and Si (111) using pulsed laser deposition technique. The films were deposited under vacuum and substrate temperature was kept at 700°C. X-ray diffraction analysis revealed that films on both substrates have single phase cubic spinel structure. However, the film grown on Si (111) shows better crystalline behavior. Fourier transform infrared spectroscopy suggests that films on both substrates have mixed spinel structure. These films show magnetic hysteresis behavior and magnetization value of film on Si (100) is larger than that on Si (111). It turns out that structural and magnetic properties of these two films are correlated.

  13. Analytical Description of Degradation-Relaxation Transformations in Nanoinhomogeneous Spinel Ceramics

    Science.gov (United States)

    Shpotyuk, O.; Brunner, M.; Hadzaman, I.; Balitska, V.; Klym, H.

    2016-11-01

    Mathematical models of degradation-relaxation kinetics are considered for jammed thick-film systems composed of screen-printed spinel Cu0.1Ni0.1Co1.6Mn1.2O4 and conductive Ag or Ag-Pd alloys. Structurally intrinsic nanoinhomogeneous ceramics due to Ag and Ag-Pd diffusing agents embedded in a spinel phase environment are shown to define governing kinetics of thermally induced degradation under 170 °C obeying an obvious non-exponential behavior in a negative relative resistance drift. The characteristic stretched-to-compressed exponential crossover is detected for degradation-relaxation kinetics in thick-film systems with conductive contacts made of Ag-Pd and Ag alloys. Under essential migration of a conductive phase, Ag penetrates thick-film spinel ceramics via a considerable two-step diffusing process.

  14. The effect of calcination temperature on the formation and magnetic properties of ZnMn2O4 spinel

    Science.gov (United States)

    Hermanto, B.; Ciswandi; Afriani, F.; Aryanto, D.; Sudiro, T.

    2018-03-01

    The spinel based on transition-metal oxides has a typical composition of AB2O4. In this study, the ZnMn2O4 spinel was synthesized using a powder metallurgy technique. The Zn and Mn metallic powders with an atomic ratio of 1:2 were mechanically alloyed for 3 hours in aqueous solution. The mixed powder was then calcined in a muffle furnace at elevated temperature of 400, 500 and 600 °C. The X-ray Diffractometer (XRD) was used to evaluate the formation of a ZnMn2O4 spinel structure. The magnetic properties of the sample at varying calcination temperatures were characterized by a Vibrating Sample Magnetometer (VSM). The results show that the fraction of ZnMn2O4 spinel formation increases with the increase of calcination temperature. The calcination temperature also affects the magnetic properties of the samples.

  15. Chemical and physical characterizations of spinel ferrite nanoparticles containing Nd and B elements.

    Science.gov (United States)

    Iwamoto, Takashi; Komorida, Yuki; Mito, Masaki; Takahara, Atsushi

    2010-05-15

    We first succeeded in synthesizing ferrite nanoparticles containing Nd and B elements by a chemical route using a polyol process. The lattice constants of the ferrite nanoparticles were equivalent to 8.39Å of the lattice constant for Fe(3)O(4) with the spinel structure in a bulk state independently of the size in diameter and composition (Fe:Nd:B). The size in diameter was actually dominated by the amount of ligands (oleic acid and oleylamine) coating the nanoparticles and easily tuned by changing refluxing-time under reaction. The spinel-structured ferrite nanoparticles containing Nd and B elements showed large coercivity as compared to Fe(3)O(4) nanoparticles with the spinel structure, which were prepared by the same chemical method. By doping Nd and B elements into the spinel structure of ferrite, magnetic anisotropy increased in comparison with Fe(3)O(4) nanoparticles. According to the analysis of magnetization curve using the modified Langevin function, the ferrite nanoparticles displayed the coexistence of superparamagnetic and antiferromagnetic phases. The ferrite nanoparticles containing Nd and B elements exhibited magnetic core/shell structure on the basis of various magnetic properties. The interface effect between the superparamagnetic core and antiferromagnetic shell might enhance the effective magnetic anisotropy of the ferrite nanoparticles containing Nd and B elements. Copyright © 2010 Elsevier Inc. All rights reserved.

  16. Microstructural evidence for a disequilibrium condensation origin for hibonite-spinel inclusions in the ALHA77307 CO3.0 chondrite

    Science.gov (United States)

    Han, Jangmi; Brearley, Adrian J.; Keller, Lindsay P.

    2015-12-01

    Two hibonite-spinel inclusions (CAIs 03 and 08) in the ALHA77307 CO3.0 chondrite have been characterized in detail using the focused ion beam sample preparation technique combined with transmission electron microscopy. These hibonite-spinel inclusions are irregularly shaped and porous objects and consist of randomly oriented hibonite laths enclosed by aggregates of spinel with fine-grained perovskite inclusions finally surrounded by a partial rim of diopside. Melilite is an extremely rare phase in this type of CAI and occurs only in one inclusion (CAI 03) as interstitial grains between hibonite laths and on the exterior of the inclusion. The overall petrologic and mineralogical observations suggest that the hibonite-spinel inclusions represent high-temperature condensates from a cooling nebular gas. The textural relationships indicate that hibonite is the first phase to condense, followed by perovskite, spinel, and diopside. Texturally, melilite condensation appears to have occurred after spinel, suggesting that the condensation conditions were far from equilibrium. The crystallographic orientation relationships between hibonite and spinel provide evidence of epitaxial nucleation and growth of spinel on hibonite surfaces, which may have lowered the activation energy for spinel nucleation compared with that of melilite and consequently inhibited melilite condensation. Hibonite contains abundant stacking defects along the (001) plane consisting of different ratios of the spinel and Ca-containing blocks within the ideal hexagonal hibonite structure. This modification of the stacking sequence is likely the result of accommodation of excess Al in the gas into hibonite due to incomplete condensation of corundum from a cooling gas under disequilibrium conditions. We therefore conclude that these two hibonite-spinel inclusions in ALHA77307 formed by high-temperature condensation under disequilibrium conditions.

  17. High power 4.7 V nanostructured spinel lithium manganese nickel oxide lithium-ion battery cathode materials

    Science.gov (United States)

    Kunduraci, Muharrem

    Nanostructured LiMn1.5+deltaNi0.5-deltaO 4 spinel powders were synthesized by a solution based chemistry method called modified Pechini. The impacts of processing parameters such as synthesis temperature, oxygen-partial-pressure and mole ratio of ethylene glycol to citric acid on the morphology, structure and properties of spinel materials have been studied thoroughly via various in-situ and ex-situ characterization techniques. Later, these parameters were tied with the electrochemical properties of spinel electrodes. After optimization of processing steps and glycol/acid ratio, a unique mesoporous morphology with interconnected nanoparticles were successfully obtained. Such morphology was found to be very conducive to achieve high power density lithium-ion battery spinel cathodes. This was attributed to (i) large number of mesoporosities that favor electrolyte penetration, thereby enabling better wetting of spinel cathodes and faster lithium ion transfer at electrolyte/cathode interface and (ii) particle interconnectivity that allows continuous electron transport, which becomes highly critical especially at high current rates. The synthesis temperature and oxygen-partial-pressure were found to affect the structure significantly. Depending on the ordering/disordering of transition metal ions on octahedral sites, spinels were assigned to either ordered P4 332 or disordered Fd3m space groups. The spinel of the two symmetry groups differed significantly in fast discharge rate capability. In an effort to identify the origin of this electrochemical disparity, intensive characterizations of both structures were undertaken (in-situ: XRD, Impedance spectroscopy, Raman; ex-situ: XRD, FTIR, TGA, electronic conductivity and lithium diffusivity and more). The poor performance of the ordered phase was attributed to its intrinsic properties, namely lower electronic conductivity and lithium diffusion coefficient (DLi). Regarding the former, the mechanism of electron conduction in

  18. Cubic erbium trihydride thin films

    Energy Technology Data Exchange (ETDEWEB)

    Adams, D.P., E-mail: dpadams@sandia.gov; Rodriguez, M.A.; Romero, J.A.; Kotula, P.G.; Banks, J.

    2012-07-31

    High-purity, erbium hydride thin films have been deposited onto {alpha}-Al{sub 2}O{sub 3} and oxidized Si by reactive sputtering methods. Rutherford backscattering spectrometry and elastic recoil detection show that films deposited at temperatures of 35, 150 and 275 Degree-Sign C have a composition of 3H:1Er. Erbium trihydride films consist of a face-centered cubic erbium sub-lattice with a lattice parameter in the range of 5.11-5.20 A. The formation of cubic ErH{sub 3} is intriguing, because previous studies demonstrate a single trihydride phase with a hexagonal metal sub-lattice. The formation of a stable, cubic trihydride phase is attributed to a large, in-plane stress resulting from ion beam sputter deposition. - Highlights: Black-Right-Pointing-Pointer Cubic erbium trihydride thin films produced by ion beam sputter deposition. Black-Right-Pointing-Pointer Face-centered cubic metal sub-lattice verified by X-ray and electron diffraction. Black-Right-Pointing-Pointer Composition evaluated using four different techniques. Black-Right-Pointing-Pointer Film stress monitored during deposition. Black-Right-Pointing-Pointer Formation of cubic erbium trihydride attributed to a large, in-plane film stress.

  19. Low dielectric loss in nano-Li-ferrite spinels prepared by sol–gel ...

    Indian Academy of Sciences (India)

    size goes down to nanometric scale and these deviations widen the scope of applications [13,14]. Pure nano-Li- ... well-defined diffraction peaks, indicating single phase with spinel structure. It can be noted that the ... ing conditions are found to be close to the standard value. ∼8.329 Å [16], indicating that the synthesizing ...

  20. Synthesis and characterization of inverse spinels, intercalation materials for Li-ion batteries

    NARCIS (Netherlands)

    Van Landschoot, N.

    2006-01-01

    Chapter 2 describes the solid-state synthesis of LiNiVO4 and LiCoVO4. The materials are prepared at 800C and are phase pure, as shown by X-ray diffraction and have the inverse spinel structure. Due to the solid-state synthesis the particle size is quite large and the particle size distribution is

  1. Generalized Born--Infeld Actions and Projective Cubic Curves

    CERN Document Server

    Ferrara, S; Sagnotti, A; Stora, R; Yeranyan, A

    2015-01-01

    We investigate $U(1)^{\\,n}$ supersymmetric Born-Infeld Lagrangians with a second non-linearly realized supersymmetry. The resulting non-linear structure is more complex than the square root present in the standard Born-Infeld action, and nonetheless the quadratic constraints determining these models can be solved exactly in all cases containing three vector multiplets. The corresponding models are classified by cubic holomorphic prepotentials. Their symmetry structures are associated to projective cubic varieties.

  2. High magnesium mobility in ternary spinel chalcogenides.

    Science.gov (United States)

    Canepa, Pieremanuele; Bo, Shou-Hang; Sai Gautam, Gopalakrishnan; Key, Baris; Richards, William D; Shi, Tan; Tian, Yaosen; Wang, Yan; Li, Juchuan; Ceder, Gerbrand

    2017-11-24

    Magnesium batteries appear a viable alternative to overcome the safety and energy density limitations faced by current lithium-ion technology. The development of a competitive magnesium battery is plagued by the existing notion of poor magnesium mobility in solids. Here we demonstrate by using ab initio calculations, nuclear magnetic resonance, and impedance spectroscopy measurements that substantial magnesium ion mobility can indeed be achieved in close-packed frameworks (~ 0.01-0.1 mS cm -1 at 298 K), specifically in the magnesium scandium selenide spinel. Our theoretical predictions also indicate that high magnesium ion mobility is possible in other chalcogenide spinels, opening the door for the realization of other magnesium solid ionic conductors and the eventual development of an all-solid-state magnesium battery.

  3. Semiconducting cubic titanium nitride in the Th3P4 structure

    Energy Technology Data Exchange (ETDEWEB)

    Bhadram, Venkata S.; Liu, Hanyu; Xu, Enshi; Li, Tianshu; Prakapenka, Vitali B.; Hrubiak, Rostislav; Lany, Stephan; Strobel, Timothy A.

    2018-01-01

    We report the discovery of a long-sought-after phase of titanium nitride with stoichiometry Ti 3 N 4 using diamond anvil cell experiments combined with in situ high-resolution x-ray diffraction and Raman spectroscopy techniques, supported by ab initio calculations. Ti 3 N 4 crystallizes in the cubic Th 3 P 4 structure [space group I ¯ 4 3 d (220)] from a mixture of TiN and N 2 above ≈ 75 GPa and ≈ 2400 K. The density ( ≈ 5.22 g/cc) and bulk modulus ( K 0 = 290 GPa) of cubic- Ti 3 N 4 ( c - Ti 3 N 4 ) at 1 atm, estimated from the pressure-volume equation of state, are comparable to rocksalt TiN. Ab initio calculations based on the GW approximation and using hybrid functionals indicate that c - Ti 3 N 4 is a semiconductor with a direct band gap between 0.8 and 0.9 eV, which is larger than the previously predicted values. The c - Ti 3 N 4 phase is not recoverable to ambient pressure due to dynamic instabilities, but recovery of Ti 3 N 4 in the defect rocksalt (or related) structure may be feasible.

  4. Dielectric and impedance study of praseodymium substituted Mg-based spinel ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Farid, Hafiz Muhammad Tahir, E-mail: tahirfaridbzu@gmail.com [Department of Physics, Bahauddin Zakariya, University Multan, 60800 (Pakistan); Ahmad, Ishtiaq; Ali, Irshad [Department of Physics, Bahauddin Zakariya, University Multan, 60800 (Pakistan); Ramay, Shahid M. [College of Science, Physics and Astronomy Department, King Saud University, P.O. Box 2455, 11451 Riyadh (Saudi Arabia); Mahmood, Asif [Chemical Engineering Department, College of Engineering, King Saud University, Riyadh (Saudi Arabia); Murtaza, G. [Centre for Advanced Studies in Physics, GC University, Lahore 5400 (Pakistan)

    2017-07-15

    Highlights: • Magnesium based spinel ferrites were successfully synthesized by sol-gel method. • Dielectric constant shows the normal spinel ferrites behavior. • The dc conductivity are found to decrease with increasing temperature. • The samples with low conductivity have high values of activation energy. • The Impedance decreases with increasing frequency of applied field. - Abstract: Spinel ferrites with nominal composition MgPr{sub y}Fe{sub 2−y}O{sub 4} (y = 0.00, 0.025, 0.05, 0.075, 0.10) were prepared by sol-gel method. Temperature dependent DC electrical conductivity and drift mobility were found in good agreement with each other, reflecting semiconducting behavior. The dielectric properties of all the samples as a function of frequency (1 MHz–3 GHz) were measured at room temperature. The dielectric constant and complex dielectric constant of these samples decreased with the increase of praseodymium concentration. In the present spinel ferrite, Cole–Cole plots were used to separate the grain and grain boundary’s effects. The substitution of praseodymium ions in Mg-based spinel ferrites leads to a remarkable rise of grain boundary’s resistance as compared to the grain’s resistance. As both AC conductivity and Cole–Cole plots are the functions of concentration, they reveal the dominant contribution of grain boundaries in the conduction mechanism. AC activation energy was lower than dc activation energy. Temperature dependence normalized AC susceptibility of spinel ferrites reveals that MgFe{sub 2}O{sub 4} exhibits multi domain (MD) structure with high Curie temperature while on substitution of praseodymium, MD to SD transitions occurs. The low values of conductivity and low dielectric loss make these materials best candidate for high frequency application.

  5. Magnetic behavior of the oxide spinels

    Indian Academy of Sciences (India)

    ... Refresher Courses · Symposia · Live Streaming. Home; Journals; Pramana – Journal of Physics; Volume 58; Issue 5-6. Magnetic behavior of the oxide spinels: Li0.5Fe2.5-2AlCrO4. U N Trivedi K B Modi H H Joshi. Colossal Magnetoresistance & Other Materials Volume 58 Issue 5-6 May-June 2002 pp 1031-1034 ...

  6. Integrable peakon equations with cubic nonlinearity

    International Nuclear Information System (INIS)

    Hone, Andrew N W; Wang, J P

    2008-01-01

    We present a new integrable partial differential equation found by Vladimir Novikov. Like the Camassa-Holm and Degasperis-Procesi equations, this new equation admits peaked soliton (peakon) solutions, but it has nonlinear terms that are cubic, rather than quadratic. We give a matrix Lax pair for V Novikov's equation, and show how it is related by a reciprocal transformation to a negative flow in the Sawada-Kotera hierarchy. Infinitely many conserved quantities are found, as well as a bi-Hamiltonian structure. The latter is used to obtain the Hamiltonian form of the finite-dimensional system for the interaction of N peakons, and the two-body dynamics (N = 2) is explicitly integrated. Finally, all of this is compared with some analogous results for another cubic peakon equation derived by Zhijun Qiao. (fast track communication)

  7. Interaction of dispersed cubic phases with blood components

    DEFF Research Database (Denmark)

    Bode, J C; Kuntsche, Judith; Funari, S S

    2013-01-01

    The interaction of aqueous nanoparticle dispersions, e.g. based on monoolein/poloxamer 407, with blood components is an important topic concerning especially the parenteral way of administration. Therefore, the influence of human and porcine plasma on dispersed cubic phases was investigated....... Several phase transitions with the formation of smaller and sometimes larger particle fractions were observed beside remaining cubic structures. A very low but detectable hemolytic activity was found for the dispersed cubic phases based on monoolein and poloxamer 407, when compared to the hemolytic...

  8. Strain tuning of topological band order in cubic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Feng, wanxiang [Chinese Academy of Sciences; Zhu, Wenguang [University of Tennessee, Knoxville (UTK); Weitering, Hanno [University of Tennessee, Knoxville (UTK); Stocks, George Malcolm [ORNL; Yao, yugui [Chinese Academy of Sciences; Xiao, Di [ORNL

    2012-01-01

    We theoretically explore the possibility of tuning the topological order of cubic diamond/zinc-blende semi- conductors with external strain. Based on a simple tight-binding model, we analyze the evolution of the cubic semiconductor band structure under hydrostatic or biaxial lattice expansion, by which a generic guiding princi- ple is established that biaxial lattice expansion can induce a topological phase transition of small band-gap cubic semiconductors via a band inversion and symmetry breaking at point. Using density functional theory cal- culations, we demonstrate that a prototype topological trivial semiconductor, InSb, is converted to a nontrivial topological semiconductor with a 2% 3% biaxial lattice expansion.

  9. Effect of Al substitution on the structural and magnetic properties of Co-Zn ferrites

    Science.gov (United States)

    Murali, N.; Margarette, S. J.; Kumar, G. Pavan; Sailaja, B.; Mulushoa, S. Yonatan; Himakar, P.; Babu, B. Kishore; Veeraiah, V.

    2017-10-01

    In this work we investigate the effect of aluminum (Al) substitution on the structural, morphological and magnetic properties of Co0.5Zn0.5AlxFe2-xO4 (x = 0.0, 0.05 and 0.1) prepared by sol-gel method. The structural and magnetic properties are performed by using X-ray powder diffraction (XRD), scanning electron microscope (SEM), Fourier transform infrared spectra (FT-IR) and Vibrating Sample Magnetometer (VSM) studies. The XRD data revealed the formation of single phase cubic spinel with crystallite sizes around 45.83-51.84 nm for Al substituted samples. Two significant absorption bands around 600 and 400 cm-1 are observed from FT-IR spectra of the samples under investigation, which confirmed the formation of a single-phase cubic spinel. Interionic bond lengths and bond angles confirm the solubility of Al in the spinel lattice and support the observed variation in magnetic properties. Using a vibrating sample magnetometer (VSM), saturation magnetization and coercivity are measured. A decrease in lattice parameter and saturation magnetization with increasing Al concentration is attributed to the difference in the ionic radii and weakening of exchange interactions.

  10. Evaluation of thermobarometry for spinel lherzolite fragments in alkali basalts

    Science.gov (United States)

    Ozawa, Kazuhito; Youbi, Nasrrddine; Boumehdi, Moulay Ahmed; McKenzie, Dan; Nagahara, Hiroko

    2017-04-01

    Geothermobarometry of solid fragments in kimberlite and alkali basalts, generally called "xenoliths", provides information on thermal and chemical structure of lithospheric and asthenospheric mantle, based on which various chemical, thermal, and rheological models of lithosphere have been constructed (e.g., Griffin et al., 2003; McKenzie et al., 2005; Ave Lallemant et al., 1980). Geothermobarometry for spinel-bearing peridotite fragments, which are frequently sampled from Phanerozoic provinces in various tectonic environments (Nixon and Davies, 1987), has essential difficulties, and it is usually believed that appropriated barometers do not exist for them (O'Reilly et al., 1997; Medaris et al., 1999). Ozawa et al. (2016; EGU) proposed a method of geothermobarometry for spinel lherzolite fragments. They applied the method to mantle fragments in alkali basalts from Bou Ibalhatene maars in the Middle Atlas in Morocco (Raffone et al. 2009; El Azzouzi et al., 2010; Witting et al., 2010; El Messbahi et al., 2015). Ozawa et al. (2016) obtained 0.5GPa pressure difference (1.5-2.0GPa) for 100°C variation in temperatures (950-1050°C). However, it is imperative to verify the results on the basis of completely independent data. There are three types of independent information: (1) time scale of solid fragment extraction, which may be provided by kinetics of reactions induced by heating and/or decompression during their entrapment in the host magma and transportation to the Earth's surface (Smith, 1999), (2) depth of the host basalt formation, which may be provided by the petrological and geochemical studies of the host basalts, and (3) lithosphere-asthenosphere boundary depths, which may be estimated by geophysical observations. Among which, (3) is shown to be consistent with the result in Ozawa et al. (2016). We here present that the estimated thermal structure just before the fragment extraction is fully supported by the information of (1) and (2). Spera (1984) reviewed

  11. Exploring Lithium-Cobalt-Nickel-Oxide Spinel Electrodes for ≥3.5 V Li-Ion Cells.

    Science.gov (United States)

    Lee, Eungje; Blauwkamp, Joel; Castro, Fernando C; Wu, Jinsong; Dravid, Vinayak P; Yan, Pengfei; Wang, Chongmin; Kim, Soo; Wolverton, Christopher; Benedek, Roy; Dogan, Fulya; Park, Joong Sun; Croy, Jason R; Thackeray, Michael Makepeace

    2016-10-04

    Recent reports have indicated that a manganese oxide spinel component, when embedded in a relatively small concentration in layered xLi 2 MnO 3 ●(1-x)LiMO 2 (M=Ni, Mn, Co) electrode systems, can act as a stabilizer that increases their capacity, rate capability, cycle life, and first-cycle efficiency. These findings prompted us to explore the possibility of exploiting lithiated cobalt oxide spinel stabilizers by taking advantage of (1) the low mobility of cobalt ions relative to manganese and nickel ions in close-packed oxides and (2) their higher potential (~3.6 V vs. Li 0 ) relative to manganese oxide spinels (~2.9 V vs. Li 0 ) for the spinel-to-lithiated spinel electrochemical reaction. In particular, we have revisited the structural and electrochemical properties of lithiated spinels in the LiCo 1-x Ni x O 2 (0≤x≤0.2) system, first reported almost 25 years ago, by means of high-resolution (synchrotron) X-ray diffraction, transmission electron microscopy, nuclear magnetic resonance spectroscopy, electrochemical cell tests, and theoretical calculations. The results provide a deeper understanding of the complexity of intergrown layered/lithiated spinel LiCo 1-x Ni x O 2 structures, when prepared in air between 400 and 800 °C, and the impact of structural variations on their electrochemical behavior. These structures, when used in low concentration, offer the possibility of improving the cycling stability, energy, and power of high energy (≥3.5 V) lithium-ion cells.

  12. Exploring Lithium-Cobalt-Nickel Oxide Spinel Electrodes for ≥3.5 V Li-Ion Cells

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Eungje; Blauwkamp, Joel; Castro, Fernando C.; Wu, Jinsong; Dravid, Vinayak P.; Yan, Pengfei; Wang, Chongmin; Kim, Soo; Wolverton, Christopher; Benedek, Roy; Dogan, Fulya; Park, Joong Sun; Croy, Jason R.; Thackeray, Michael M.

    2016-10-19

    Recent reports have indicated that a manganese oxide spinel component, when embedded in a relatively small concentration in layered xLi2MnO3(1-x)LiMO2 (M=Ni, Mn, Co) electrode systems, can act as a stabilizer that increases their capacity, rate capability, cycle life, and first-cycle efficiency. These findings prompted us to explore the possibility of exploiting lithiated cobalt oxide spinel stabilizers by taking advantage of (1) the low mobility of cobalt ions relative to manganese and nickel ions in close-packed oxides and (2) their higher potential (~3.6 V vs. Li0) relative to manganese oxide spinels (~2.9 V vs. Li0) for the spinel-to-lithiated spinel electrochemical reaction. In particular, we have revisited the structural and electrochemical properties of lithiated spinels in the LiCo1-xNixO2 (0x0.2) system, first reported almost 25 years ago, by means of high-resolution (synchrotron) X-ray diffraction, transmission electron microscopy, nuclear magnetic resonance spectroscopy, electrochemical cell tests, and theoretical calculations. The results provide a deeper understanding of the complexity of intergrown layered/lithiated spinel LiCo1-xNixO2 structures, when prepared in air between 400 and 800 C, and the impact of structural variations on their electrochemical behavior. These structures, when used in low concentration, offer the possibility of improving the cycling stability, energy, and power of high energy (≥3.5 V) lithium-ion cells.

  13. Introduction to porous spinel for refractory (high temp material

    Directory of Open Access Journals (Sweden)

    Kumar Saurav

    2016-09-01

    Full Text Available The paper examines thermal properties of materials. The transient pulse method was used for specific heat, thermal diffusivity and thermal conductivity determination. Porous MgO was synthesis by heating pellets at 1100 °C for 1 h. The resultant porous MgO was then immersed in 10 mol/L aluminum nitrate solution, dried, and reheated at 1300 °C for 2 h to convert it to spinel. The evaluation was performed with the help of mathematical apparatus used for study of fractal structures properties. The method results from generalized relations that were designed for study of physical properties of fractal structures. As it is shown these relations are in a good agreement with the equations used for the description of time responses of temperature for the pulse input of supplied heat.

  14. Identification of Hammerstein models with cubic spline nonlinearities.

    Science.gov (United States)

    Dempsey, Erika J; Westwick, David T

    2004-02-01

    This paper considers the use of cubic splines, instead of polynomials, to represent the static nonlinearities in block structured models. It introduces a system identification algorithm for the Hammerstein structure, a static nonlinearity followed by a linear filter, where cubic splines represent the static nonlinearity and the linear dynamics are modeled using a finite impulse response filter. The algorithm uses a separable least squares Levenberg-Marquardt optimization to identify Hammerstein cascades whose nonlinearities are modeled by either cubic splines or polynomials. These algorithms are compared in simulation, where the effects of variations in the input spectrum and distribution, and those of the measurement noise are examined. The two algorithms are used to fit Hammerstein models to stretch reflex electromyogram (EMG) data recorded from a spinal cord injured patient. The model with the cubic spline nonlinearity provides more accurate predictions of the reflex EMG than the polynomial based model, even in novel data.

  15. Comparative analysis of the changes in local Ni/Mn environment in lithium-nickel-manganese oxides with layered and spinel structure during electrochemical extraction and reinsertion of lithium

    Energy Technology Data Exchange (ETDEWEB)

    Zhecheva, E.; Stoyanova, R. [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Alcantara, R.; Lavela, P.; Tirado, J.L. [Laboratorio de Quimica Inorganica, Facultad de Ciencias, Universidad de Cordoba, 14071 Cordoba (Spain)

    2007-12-06

    Electron paramagnetic resonance spectroscopy was used to analyse the changes in local Ni, Mn environment in layered LiNi{sub 1/2}Mn{sub 1/2}O{sub 2} and spinel LiNi{sub 1/2}Mn{sub 3/2}O{sub 4} after electrochemical extraction and reinsertion of lithium. For layered LiNi{sub 1/2}Mn{sub 1/2}O{sub 2}, the EPR signal from Mn{sup 4+} is only detected, while residual antiferromagnetic correlations between Ni{sup 2+} and Mn{sup 4+} ions gives rise to strong resonance absorption for LiNi{sub 1/2}Mn{sub 3/2}O{sub 4} spinel. The first charge process of layered LiNi{sub 1/2}Mn{sub 1/2}O{sub 2} leads to oxidation of Ni{sup 2+} ions located both in the transition metal sites and in the Li sites. The reverse process of reduction of these nickel ions was suggested to proceed between 4.4-3.0 V and 2.5-1.4 V, respectively. Lithium extraction from LiNi{sub 1/2}Mn{sub 3/2}O{sub 4} spinel leads to oxidation of paramagnetic Ni{sup 2+} to diamagnetic Ni{sup 4+} without significant changes in the local environment of Mn{sup 4+}. For both fully delithiated compositions, Li{sub 1-x}Ni{sub 1/2}Mn{sub 1/2}O{sub 2} and Li{sub 1-x}Ni{sub 1/2}Mn{sub 3/2}O{sub 4}, an EPR spectrum from localized Mn{sup 4+} ions is observed, indicating an exhaustion of paramagnetic Ni{sup 2+} ions in the vicinity of Mn{sup 4+} ions. Furthermore, it has been found that the Mn{sup 4+} environment including paramagnetic Mn{sup 4+} and Ni{sup 2+} neighbours is restored after the first cycle of charge/discharge. (author)

  16. Why ion irradiation does not lead to the same structural changes in normal spinels ZnAl{sub 2}O{sub 4}, MgAl{sub 2}O{sub 4} and MgCr{sub 2}O{sub 4}?

    Energy Technology Data Exchange (ETDEWEB)

    Baldinozzi, G. [Ceramiques Sous Irradiation, Equipe Mixte CEA Saclay and CNRS Ecole Centrale Paris, Laboratoire Structures, Proprietes et Modelisation des Solides, 92295 Chatenay-Malabry (France)], E-mail: gianguido.baldinozzi@ecp.fr; Simeone, D.; Gosset, D. [Ceramiques Sous Irradiation, Equipe Mixte CEA Saclay and CNRS Ecole Centrale Paris, CEA/DEN/DANS/DMN/SRMA, 91191 Gif-sur-Yvette (France); Surble, S. [Ceramiques Sous Irradiation, Equipe Mixte CEA Saclay and CNRS Ecole Centrale Paris, Laboratoire Structures, Proprietes et Modelisation des Solides, 92295 Chatenay-Malabry (France); Mazerolles, L. [CECM, UPR CNRS 2801, 94407 Vitry-sur-Seine (France); Thome, L. [CSNSM, CNRS/IN2P3, 91405 Orsay (France)

    2008-06-15

    Ion irradiation induced phase transformations in three normal spinel compounds MgAl{sub 2}O{sub 4}, MgCr{sub 2}O{sub 4} and ZnAl{sub 2}O{sub 4} were investigated by X-ray diffraction, Raman spectroscopy and transmission electron microscopy. The structural and microstructural changes occurring in these three systems are described. Irradiation acts at the atomic and mesoscopic scales in different ways. At the atomic scale it produces the inversion of the cations in the structure. At the mesoscopic scale it produces a change of the size of the diffracting domains, responsible for the colossal changes in the observed X-ray diffraction patterns.

  17. Smoothing quadratic and cubic splines

    OpenAIRE

    Oukropcová, Kateřina

    2014-01-01

    Title: Smoothing quadratic and cubic splines Author: Kateřina Oukropcová Department: Department of Numerical Mathematics Supervisor: RNDr. Václav Kučera, Ph.D., Department of Numerical Mathematics Abstract: The aim of this bachelor thesis is to study the topic of smoothing quadratic and cubic splines on uniform partitions. First, we define the basic con- cepts in the field of splines, next we introduce interpolating splines with a focus on their minimizing properties for odd degree and quadra...

  18. Fermi Surface and Magnetic Properties in Ferromagnet CoS2 and Paramagnet CoSe2 with the Pyrite-type Cubic Structure

    Science.gov (United States)

    Teruya, A.; Suzuki, F.; Aoki, D.; Honda, F.; Nakamura, A.; Nakashima, M.; Amako, Y.; Harima, H.; Uchima, K.; Hedo, M.; Nakama, T.; Ōnuki, Y.

    2017-02-01

    We succeeded in growing high-quality single crystals of pyrite-type cubic compounds CoSe2 and CoS2 using a transport agent of CoBr2 and measured the electrical resistivity, specific heat, magnetic susceptibility, magnetization, and the de Haas-van Alphen (dHvA) effect. We confirmed that CoSe2 is an exchange-enhanced paramagnet revealing a broad maximum at around 50 K in the temperature dependence of the magnetic susceptibility. The electronic specific heat coefficient is moderately large, γ = 18 mJ/(K2·mol). On the other hand, CoS2 is a ferromagnet with a Curie temperature T C = 122 K and an ordered moment μ s = 0.93 μB/Co. The γ value of 21 mJ/(K2·mol) in CoS2 is slightly larger than that of CoSe2. A large ordered moment, together with a large γ value, is a characteristic feature in CoS2 because CoS2 is a half-metallic spin state in the ferromagnetic state. Correspondingly, we detected a main dHvA branch with a large cyclotron effective mass of 13m 0 in the dHvA experiments. The detected dHvA branches in CoS2 and CoSe2 are discussed on the basis of the results of energy band calculations, revealing a broken four-fold-symmetry in the angular dependence of the dHvA frequency.

  19. An Example of Body-Centered Cubic Crystal Structure: The Atomium in Brussels as an Educative Tool for Introductory Materials Chemistry

    Science.gov (United States)

    Pinto, Gabriel

    2012-01-01

    When students are introduced to the ways in which atoms are arranged in crystal structures, transposing the textbook illustrations into three-dimensional structures is difficult for some of them. To facilitate this transition, this article describes an approach to the study of the structure of solids through a well-known monument, the Atomium in…

  20. The planar cubic Cayley graphs

    CERN Document Server

    Georgakopoulos, Agelos

    2018-01-01

    The author obtains a complete description of the planar cubic Cayley graphs, providing an explicit presentation and embedding for each of them. This turns out to be a rich class, comprising several infinite families. He obtains counterexamples to conjectures of Mohar, Bonnington and Watkins. The author's analysis makes the involved graphs accessible to computation, corroborating a conjecture of Droms.

  1. The planar cubic cayley graphs

    CERN Document Server

    Georgakopoulos, Agelos

    2018-01-01

    The author obtains a complete description of the planar cubic Cayley graphs, providing an explicit presentation and embedding for each of them. This turns out to be a rich class, comprising several infinite families. He obtains counterexamples to conjectures of Mohar, Bonnington and Watkins. The author's analysis makes the involved graphs accessible to computation, corroborating a conjecture of Droms.

  2. Cryptographic Analysis in Cubic Time

    DEFF Research Database (Denmark)

    Nielson, Flemming; Nielson, Hanne Riis; Seidl, H.

    2004-01-01

    The spi-calculus is a variant of the polyadic pi-calculus that admits symmetric cryptography and that admits expressing communication protocols in a precise though still abstract way. This paper shows that context-independent control flow analysis can be calculated in cubic time despite the fact...

  3. Spinel Li2CoTi3O8 nanometer obtained for application as pigment

    International Nuclear Information System (INIS)

    Costa de Camara, M. S.; Alves Pimentel, L.; Longo, E.; Nobrega Azevedo, L. da; Araujo Melo, D. M. de

    2016-01-01

    Pigments are used in ceramics, cosmetics, inks, and other applications widely materials. To this must be single and easily reproducible. Moreover, the pigments obtained in the nanoscale are more stable, reproducible and highlight color in small amounts compared with those obtained in micrometer scale. The mixed oxides with spinel structures AB 2 O 4 have important applications, including: pigments, refractories, catalytic and electronic ceramics. In this context, the aim of this work was the preparation of powder Li 2 CoTi 3 O 8 spinel phase with nanometer particle size of the polymeric precursor method (Pechini) and characterization by means of thermal analysis (TG/DTA) X-ray diffraction (XRD), refined by the Rietveld method, BET, transmission electron microscopy (TEM), Raman and colorimetric coordinates. The pigment was obtained by heat treatment of 400 degree centigrade to 1000 degree centigrade after pyrolysis at 300 degree centigrade/1 h for removing the organic material. Li 2 CoTi 3 O 8 desired spinel phase was obtained from 500 degree centigrade, and presenting stability nanometer to about 1.300 degree centigrade. Spinel green phase introduced at temperatures in the range of 400 degree centigrade and 500 degree centigrade, and 600 degree centigrade at temperatures between blue and 1000 degree centigrade. (Author)

  4. Spinel/Layered Heterostructured Lithium-Rich Oxide Nanowires as Cathode Material for High-Energy Lithium-Ion Batteries.

    Science.gov (United States)

    Yu, Ruizhi; Zhang, Xiaohui; Liu, Tao; Yang, Li; Liu, Lei; Wang, Yu; Wang, Xianyou; Shu, Hongbo; Yang, Xiukang

    2017-11-29

    Lithium-rich oxide material has been considered as an attractive candidate for high-energy cathode for lithium-ion batteries (LIBs). However, the practical applications are still hindered due to its low initial reversible capacity, severe voltage decaying, and unsatisfactory rate capability. Among all, the voltage decaying is a serious barrier that results in a large decrease of energy density during long-term cycling. To overcome these issues, herein, an efficient strategy of fabricating lithium-rich oxide nanowires with spinel/layered heterostructure is proposed. Structural characterizations verify that the spinel/layered heterostructured nanowires are a self-assembly of a lot of nanoparticles, and the Li 4 Mn 5 O 12 spinel phase is embedded inside the layered structure. When the material is used as cathode of LIBs, the spinel/layered heterostructured nanowires can display an extremely high invertible capacity of 290.1 mA h g -1 at 0.1 C and suppressive voltage fading. Moreover, it exhibits a favorable cycling stability with capacity retention of 94.4% after charging/discharging at 0.5 C for 200 cycles and it shows an extraordinary rate capability (183.9 mA h g -1 , 10 C). The remarkable electrochemical properties can be connected with the spinel/layered heterostructure, which is in favor of Li + transport kinetics and enhancing structural stability during the cyclic process.

  5. Local probing spinel and perovskite complex magnetic systems

    CERN Document Server

    De Pinho Oliveira, Goncalo; Lima Lopes, Armandina Maria

    Materials with multifunctional physical properties are crucial for the modern society, especially those which display a strong coupling between magnetic, lattice and polar degrees of freedom. This by far unexploited capability promises new paradigm-shift technologies for cooling technologies, magnetic data storage, high-frequency magnetic devices, spintronics, and micro-electromechanical systems. Alongside with the understanding of the properties of these materials, the need to improve them and to make them smaller and more efficient is a current goal. Device miniaturization towards very high-density data storage stands also as a trend in modern science and technology. Here, the integration of several functions into one material system has become highly desirable. Research in this area has already highlighted complex magnetic materials with po- tential for multifunctional applications based on spinel type structures like CdMn2O4 or multiferroic CdCr2S4 or even RCrO3 with orthorhombically distorted perovskite ...

  6. Composition dependence of structural, magnetic and electrical properties of Co substituted magnesium ferrite

    Science.gov (United States)

    Ramarao, K.; Rajesh Babu, B.; Kishore Babu, B.; Veeraiah, V.; Ramarao, S. D.; Rajasekhar, K.; Venkateswara Rao, A.

    2018-01-01

    In this work cobalt substituted magnesium spinel ferrite having general formula Mg1-xCoxFe2O4 (where x = 0.0, 0.1, 0.15,0.2,0.25 and 0.3) was synthesized by solid state reaction method. All the sample are characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Vibrating sample magnetometer (VSM) and dc resistivity measurements. XRD analysis confirms the formation of single phase spinel and the calculated lattice constant 'aexp' from XRD decreases as substitution of Co (x) is increased. The FTIR spectra reveled two prominent frequency bands in the wave number range 400-600 cm-1, which confirm the cubic spinel structure. Magnetic studies revealed that the saturation magnetization attains a maximum value when x = 0.2, and then decreases for higher concentration of (x). This non-linear trend in magnetization has been explained on the basis of redistribution of magnetic and non-magnetic cations among A and B sites of the spinel lattice. A significant influence of cation distribution observed on DC electrical resistivity and activation energy.

  7. Chromian spinel-rich black sands from eastern shoreline of ...

    Indian Academy of Sciences (India)

    rocks, especially Alpine-type peridotites (Press. 1986; Arai and Okada 1991; Cookenboo et al. 1997;. Lee 1999). Due to the high mechanical and chem- ical resistivity of spinel grains, it usually forms beach placers. The spinel compositions, known to be influenced by the geodynamic environment of formation (Evans and ...

  8. Chromian spinel-rich black sands from eastern shoreline of ...

    Indian Academy of Sciences (India)

    Black sands rich in chromian spinel commonly occur in pockets along the eastern shoreline of Andaman. Island where various types of peridotites and volcanics belonging to the Andaman ophiolite suite are exposed in close vicinity. The chemistry of these detrital chromian spinels has been extensively used here.

  9. Chromian spinel-rich black sands from eastern shoreline of ...

    Indian Academy of Sciences (India)

    Black sands rich in chromian spinel commonly occur in pockets along the eastern shoreline of Andaman Island where various types of peridotites and volcanics belonging to the Andaman ophiolite suite are exposed in close vicinity. The chemistry of these detrital chromian spinels has been extensively used here in ...

  10. Orbital physics in sulfur spinels: ordered, liquid and glassy ground states

    International Nuclear Information System (INIS)

    Buettgen, N; Hemberger, J; Fritsch, V; Krimmel, A; Muecksch, M; Nidda, H-A Krug von; Lunkenheimer, P; Fichtl, R; Tsurkan, V; Loidl, A

    2004-01-01

    Measurements of magnetization M(T, H), heat capacity C(T), NMR lineshift K(T) and linewidth Δ(T), neutron scattering S(Q, ω, T) and broadband dielectric spectroscopy ε(ω, T) provide experimental evidence of the different orbital ground states in the cubic sulfur spinels under investigation. In all compounds, the tetrahedrally coordinated Jahn-Teller ions Fe 2+ are characterized by a degeneracy of the orbital degrees of freedom. Particularly, we found a long-range orbital ordering in polycrystalline (PC) FeCr 2 S 4 , and a glassy freezing of the orbital degrees of freedom in FeCr 2 S 4 (single crystals) (SCs). In contrast, FeSc 2 S 4 belongs to the rare class of spin-orbital liquids, where quantum fluctuations accompanying the glassy freezing of the orbitals suppress long-range magnetic order

  11. An Abel type cubic system

    Directory of Open Access Journals (Sweden)

    Gary R. Nicklason

    2015-07-01

    Full Text Available We consider center conditions for plane polynomial systems of Abel type consisting of a linear center perturbed by the sum of 2 homogeneous polynomials of degrees n and 2n-1 where $n \\ge 2$. Using properties of Abel equations we obtain two general systems valid for arbitrary values on n. For the cubic n=2 systems we find several sets of new center conditions, some of which show that the results in a paper by Hill, Lloyd and Pearson which were conjectured to be complete are in fact not complete. We also present a particular system which appears to be a counterexample to a conjecture by Zoladek et al. regarding rational reversibility in cubic polynomial systems.

  12. On the dynamic buckling of a lightly damped elastic cubic model ...

    African Journals Online (AJOL)

    ... technique to determine the dynamic buckling load of a lightly and viscously damped elastic cubic model structure modulated by a sinusoidally slowly varying dynamic load. The imperfect elastic cubic (nonlinear) structure is itself a generalization of most elastic physical structures that have been investigated over the years.

  13. Spinel and post-spinel phase assemblages in Zn2TiO4: an experimental and theoretical study

    Science.gov (United States)

    Zhang, Yanyao; Liu, Xi; Shieh, Sean R.; Bao, Xinjian; Xie, Tianqi; Wang, Fei; Zhang, Zhigang; Prescher, Clemens; Prakapenka, Vitali B.

    2017-02-01

    Zn2TiO4 spinel (Zn2TiO4-Sp) was synthesized by a solid-state reaction method (1573 K, room P and 72 h) and quasi-hydrostatically compressed to 24 GPa using a DAC coupled with a synchrotron X-ray radiation (ambient T). We found that the Zn2TiO4-Sp was stable up to 21 GPa and transformed to another phase at higher P. With some theoretical simulations, we revealed that this high- P phase adopted the CaTi2O4-type structure (Zn2TiO4-CT). Additionally, the isothermal bulk modulus ( K T) of the Zn2TiO4-Sp was experimentally obtained as 156.0(44) GPa and theoretically obtained as 159.1(4) GPa, with its first pressure derivative K_{{T}}' as 3.8(6) and 4.37(4), respectively. The volumetric and axial isothermal bulk moduli of the Zn2TiO4-CT were theoretically obtained as K T = 150(2) GPa (K_{{T}}' = 5.4(2); for the volume), K T- a = 173(2) GPa (K_{{{T-}}a}' = 3.9(1); for the a-axis), K T- b = 74(2) GPa (K_{{{T-}}b}' = 7.0(2); for the b-axis), and K T- c = 365(8) GPa (K_{{{T-}}c}' = 1.5(4); for the c-axis), indicating a strong elastic anisotropy. The Zn2TiO4-CT was found as 10.0 % denser than the Zn2TiO4-Sp at ambient conditions. The spinel and post-spinel phase assemblages for the Zn2TiO4 composition at high T have been deduced as Zn2TiO4-Sp, ZnTiO3-ilmenite + ZnO-wurtzite, ZnTiO3-ilmenite + ZnO-rock salt, ZnTiO3-perovskite + ZnO-rock salt, and Zn2TiO4-CT as P increases, which presumably implies a potential stability field for a CT-type Mg2SiO4 at very high P.

  14. Numbers for reducible cubic scrolls

    Directory of Open Access Journals (Sweden)

    Israel Vainsencher

    2004-12-01

    Full Text Available We show how to compute the number of reducible cubic scrolls of codimension 2 in (math blackboard symbol Pn incident to the appropriate number of linear spaces.Mostramos como calcular o número de rolos cúbicos redutíveis de codimensão 2 em (math blackboard symbol Pn incidentes a espaços lineares apropriados.

  15. Randomized Block Cubic Newton Method

    KAUST Repository

    Doikov, Nikita

    2018-02-12

    We study the problem of minimizing the sum of three convex functions: a differentiable, twice-differentiable and a non-smooth term in a high dimensional setting. To this effect we propose and analyze a randomized block cubic Newton (RBCN) method, which in each iteration builds a model of the objective function formed as the sum of the natural models of its three components: a linear model with a quadratic regularizer for the differentiable term, a quadratic model with a cubic regularizer for the twice differentiable term, and perfect (proximal) model for the nonsmooth term. Our method in each iteration minimizes the model over a random subset of blocks of the search variable. RBCN is the first algorithm with these properties, generalizing several existing methods, matching the best known bounds in all special cases. We establish ${\\\\cal O}(1/\\\\epsilon)$, ${\\\\cal O}(1/\\\\sqrt{\\\\epsilon})$ and ${\\\\cal O}(\\\\log (1/\\\\epsilon))$ rates under different assumptions on the component functions. Lastly, we show numerically that our method outperforms the state-of-the-art on a variety of machine learning problems, including cubically regularized least-squares, logistic regression with constraints, and Poisson regression.

  16. First-principles calculations of the structural, electronic and optical properties of cubic B{sub x}Ga{sub 1-x}As alloys

    Energy Technology Data Exchange (ETDEWEB)

    Guemou, M., E-mail: guemoumhamed7@gmail.com [Engineering Physics Laboratory, University Ibn Khaldoun of Tiaret, BP 78-Zaaroura, Tiaret 14000 (Algeria); Bouhafs, B. [Modelling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, 22000 Sidi Bel-Abbes (Algeria); Abdiche, A. [Applied Materials Laboratory, Research Center, University of Sidi Bel Abbes, 22000 Sidi Bel Abbes (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Departement de Technologie, Universite de Mascara, 29000 Mascara (Algeria); Al Douri, Y. [Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, Perlis (Malaysia); Bin Omran, S. [Department of Physics and Astronomy, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia)

    2012-04-15

    Density functional calculations are performed to study the structural, electronic and optical properties of technologically important B{sub x}Ga{sub 1-x}As ternary alloys. The calculations are based on the total-energy calculations within the full-potential augmented plane-wave (FP-LAPW) method. For exchange-correlation potential, local density approximation (LDA) and the generalized gradient approximation (GGA) have been used. The structural properties, including lattice constants, bulk modulus and their pressure derivatives, are in very good agreement with the available experimental and theoretical data. The electronic band structure, density of states for the binary compounds and their ternary alloys are given. The dielectric function and the refractive index are also calculated using different models. The obtained results compare very well with previous calculations and experimental measurements.

  17. Cubic Matrix, Nambu Mechanics and Beyond

    OpenAIRE

    Yoshiharu, KAWAMURA; Department of Physics, Shinshu University

    2003-01-01

    We propose a generalization of cubic matrix mechanics by introducing a canonical triplet and study its relation to Nambu mechanics. The generalized cubic matrix mechanics we consider can be interpreted as a 'quantum' generalization of Nambu mechanics.

  18. Cubic Matrix, Nambu Mechanics and Beyond

    OpenAIRE

    Kawamura, Yoshiharu

    2002-01-01

    We propose a generalization of cubic matrix mechanics by introducing a canonical triplet and study its relation to Nambu mechanics. The generalized cubic matrix mechanics we consider can be interpreted as a “quantum” generalization of Nambu mechanics.

  19. Reducing agent (NaBH4) dependent structure, morphology and magnetic properties of nickel ferrite (NiFe2O4) nanorods

    International Nuclear Information System (INIS)

    Saravanakumar, B.; Rani, B. Jansi; Ravi, G.; Thambidurai, M.; Yuvakkumar, R.

    2017-01-01

    Nickel ferrite (Ni-Fe 2 O 4 ) nanorods were synthesized employing a simple chemical reduction method. Reducing agent (NaBH 4 ) influence on structural, morphological and magnetic properties of NiFe 2 O 4 nanorods was investigated. XRD results clearly revealed the presence of inverse cubic spinel nickel ferrite structure characteristic peaks and confirmed the site inversion of inverse spinel structure of Fe 3+ tetrahedral A site and Ni 2+ octahedral B site. The observed Raman characteristic peak at 488 and 683 cm −1 were corresponded to E 1 g and A 1 g mode whereas A and B site respectively corresponded to tetrahedral and octahedral site of NiFe 2 O 4 inverse spinel structure. The obtained PL peaks at 530 and 542 nm were attributed to the emission spectra of Fe 3+ ions in site A of inverse spinel structure and Ni 2+ ions in site B of inverse spinel structure respectively. SEM result clearly revealed that increase in NaBH 4 concentration had remarkable impact on nanorods formation, nano-octahedron structure, homogeneity and regularity of Ni-Ferrites. VSM studies clearly revealed the soft ferromagnetic nature of NiFe 2 O 4 and increase in NaBH 4 concentration further induced raise in metal cations concentration in A- and B- site which might impact the resultant magnetization of ferrites. - Highlights: • Nano rod formation has been initiated while increase of NaBH 4 concentration. • Further increasing NaBH 4 concentration favors nano-octahedron formation. • VSM studies revealed soft ferromagnetic nature of NiFe 2 O 4 .

  20. Reducing agent (NaBH{sub 4}) dependent structure, morphology and magnetic properties of nickel ferrite (NiFe{sub 2}O{sub 4}) nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Saravanakumar, B.; Rani, B. Jansi; Ravi, G. [Nanomaterials Laboratory, Department of Physics, Alagappa University, Karaikudi 630 004, Tamil Nadu (India); Thambidurai, M. [Luminous Centre of Excellence for Semiconductor Lighting and Displays, School of Electrical & Electronic Engineering, The Photonics Institute (TPI), Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Yuvakkumar, R., E-mail: yuvakkumar@gmail.com [Nanomaterials Laboratory, Department of Physics, Alagappa University, Karaikudi 630 004, Tamil Nadu (India)

    2017-04-15

    Nickel ferrite (Ni-Fe{sub 2}O{sub 4}) nanorods were synthesized employing a simple chemical reduction method. Reducing agent (NaBH{sub 4}) influence on structural, morphological and magnetic properties of NiFe{sub 2}O{sub 4} nanorods was investigated. XRD results clearly revealed the presence of inverse cubic spinel nickel ferrite structure characteristic peaks and confirmed the site inversion of inverse spinel structure of Fe{sup 3+} tetrahedral A site and Ni{sup 2+} octahedral B site. The observed Raman characteristic peak at 488 and 683 cm{sup −1} were corresponded to E{sub 1} {sub g} and A{sub 1} {sub g} mode whereas A and B site respectively corresponded to tetrahedral and octahedral site of NiFe{sub 2}O{sub 4} inverse spinel structure. The obtained PL peaks at 530 and 542 nm were attributed to the emission spectra of Fe{sup 3+} ions in site A of inverse spinel structure and Ni{sup 2+} ions in site B of inverse spinel structure respectively. SEM result clearly revealed that increase in NaBH{sub 4} concentration had remarkable impact on nanorods formation, nano-octahedron structure, homogeneity and regularity of Ni-Ferrites. VSM studies clearly revealed the soft ferromagnetic nature of NiFe{sub 2}O{sub 4} and increase in NaBH{sub 4} concentration further induced raise in metal cations concentration in A- and B- site which might impact the resultant magnetization of ferrites. - Highlights: • Nano rod formation has been initiated while increase of NaBH{sub 4} concentration. • Further increasing NaBH{sub 4} concentration favors nano-octahedron formation. • VSM studies revealed soft ferromagnetic nature of NiFe{sub 2}O{sub 4}.

  1. Solving Cubic Equations by Polynomial Decomposition

    Science.gov (United States)

    Kulkarni, Raghavendra G.

    2011-01-01

    Several mathematicians struggled to solve cubic equations, and in 1515 Scipione del Ferro reportedly solved the cubic while participating in a local mathematical contest, but did not bother to publish his method. Then it was Cardano (1539) who first published the solution to the general cubic equation in his book "The Great Art, or, The Rules of…

  2. Cubic colloids : Synthesis, functionalization and applications

    NARCIS (Netherlands)

    Castillo, S.I.R.

    2015-01-01

    This thesis is a study on cubic colloids: micron-sized cubic particles with rounded corners (cubic superballs). Owing to their shape, particle packing for cubes is more efficient than for spheres and results in fascinating phase and packing behavior. For our cubes, the particle volume fraction when

  3. Observation and manipulation of magnetic domains in sol gel derived thin films of spinel ferrites

    Science.gov (United States)

    Datar, Ashwini A.; Mathe, Vikas L.

    2017-12-01

    Thin films of spinel ferrites, namely zinc substituted nickel, cobalt ferrite, and manganese substituted cobalt ferrite, were synthesized using sol-gel derived spin-coating techniques. The films were characterized using x-ray diffraction, field emission scanning electron microscopy, Fourier transform infrared spectroscopy and Raman spectroscopy techniques for the analysis of structural, morphological and vibrational band transition properties, which confirm the spinel phase formation of the films. The magnetic force microscopy (MFM) technique was used to observe the magnetic domain structure present in the synthesized films. Further, the films were subjected to an external DC magnetic field of 2 kG to orient the magnetic domains and analyzed using an ex situ MFM technique.

  4. Strain effects in spinel ferrite thin films from first principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Fritsch, D; Ederer, Claude, E-mail: fritschd@tcd.ie [School of Physics, Trinity College Dublin, Dublin 2 (Ireland)

    2011-04-01

    The inverse spinel ferrimagnets CoFe{sub 2}O{sub 4} (CFO) and NiFe{sub 2}O{sub 4} (NFO) are of interest for applications in spin-filter devices or as building blocks of artificial multiferroic heterostructures. Here we present density functional theory calculations of the structural and magnetic properties of CFO and NFO, with special emphasis on strain-induced changes in the magneto-crystalline anisotropy energy. We find that tensile (compressive) strain favours perpendicular (in-plane) anisotropy, in agreement with experimental observations. Our calculated magnetostriction constants {lambda}{sub 100} agree well with available experimental data. Furthermore, the influence of different cation arrangements used to represent the inverse spinel structure and the effect of different exchange-correlation functionals are analysed and discussed.

  5. Study of surface reaction of spinel Li4Ti5O12 during the first lithium insertion and extraction processes using atomic force microscopy and analytical transmission electron microscopy.

    Science.gov (United States)

    Kitta, Mitsunori; Akita, Tomoki; Maeda, Yasushi; Kohyama, Masanori

    2012-08-21

    Spinel lithium titanate (Li(4)Ti(5)O(12), LTO) is a promising anode material for a lithium ion battery because of its excellent properties such as high rate charge-discharge capability and life cycle stability, which were understood from the viewpoint of bulk properties such as small lattice volume changes by lithium insertion. However, the detailed surface reaction of lithium insertion and extraction has not yet been studied despite its importance to understand the mechanism of an electrochemical reaction. In this paper, we apply both atomic force microscopy (AFM) and transmission electron microscopy (TEM) to investigate the changes in the atomic and electronic structures of the Li(4)Ti(5)O(12) surface during the charge-discharged (lithium insertion and extraction) processes. The AFM observation revealed that irreversible structural changes of an atomically flat Li(4)Ti(5)O(12) surface occurs at the early stage of the first lithium insertion process, which induces the reduction of charge transfer resistance at the electrolyte/Li(4)Ti(5)O(12) interface. The TEM observation clarified that cubic rock-salt crystal layers with a half lattice size of the original spinel structure are epitaxially formed after the first charge-discharge cycle. Electron energy loss spectroscopy (EELS) observation revealed that the formed surface layer should be α-Li(2)TiO(3). Although the transformation of Li(4)Ti(5)O(12) to Li(7)Ti(5)O(12) is well-known as the lithium insertion reaction of the bulk phase, the generation of surface product layers should be inevitable in real charge-discharge processes and may play an effective role in the stable electrode performance as a solid-electrolyte interphase (SEI).

  6. Effect of sintering temperature on micro structural and impedance spectroscopic properties of Ni0.5Zn0.5Fe2O4 nano ferrite

    Science.gov (United States)

    Venkatesh, Davuluri; Ramesh, K. V.; Sastry, C. V. S. S.

    2017-07-01

    Ni-Zn nanoferrite Ni0.5Zn0.5Fe2O4 is prepared by citrate gel auto combustion method and sintered at various temperatures 800, 900, 1000, 1100 and 1200°C. The room temperature x-ray diffraction conforms that the single phase spinel structure is formed. Crystallite size and density were increased with increasing of sintering temperature. From Raman spectroscopy all sintered samples are single phase with cubic spinel structure belong to Fd3m space group. From surface morphology studies it is clearly observed that the particle size increased with increasing of sintering temperature. Impedance spectroscopy revel that increasing of conductivity is due to grain resistance is decreased with increasing of sintering temperature. Cole-Cole plots are studied from impedance data. The electrical modulus analysis shows that non-Debye nature of Ni0.5Zn0.5Fe2O4 ferrite.

  7. Synthesis of magnesium aluminate spinel by periclase and alumina chlorination

    International Nuclear Information System (INIS)

    Orosco, Pablo; Barbosa, Lucía; Ruiz, María del Carmen

    2014-01-01

    Highlights: • Use of chlorination for the synthesis of magnesium aluminate spinel. • The reagents used were alumina, periclase and chlorine. • Isothermal and non-isothermal assays were performed in air and Cl 2 –N 2 flows. • The chlorination produced magnesium aluminate spinel at 700 °C. • Selectivity of the chlorination reaction to obtain spinel is very high. - Abstract: A pyrometallurgical route for the synthesis of magnesium aluminate spinel by thermal treatment of a mechanical mixture containing 29 wt% MgO (periclase) and 71 wt% Al 2 O 3 (alumina) in chlorine atmosphere was developed and the results were compared with those obtained by calcining the same mixture of oxides in air atmosphere. Isothermal and non-isothermal assays were performed in an experimental piece of equipment adapted to work in corrosive atmospheres. Both reagents and products were analyzed by differential thermal analysis (DTA), X-ray diffraction (XRD) and X-ray fluorescence (XRF). Thermal treatment in Cl 2 atmosphere of the MgO–Al 2 O 3 mixture produces magnesium aluminate spinel at 700 °C, while in air, magnesium spinel is generated at 930 °C. The synthesis reaction of magnesium aluminate spinel was complete at 800 °C

  8. Synthesis of magnesium aluminate spinel by periclase and alumina chlorination

    Energy Technology Data Exchange (ETDEWEB)

    Orosco, Pablo, E-mail: porosco@unsl.edu.ar [Instituto de Investigaciones en Tecnología Química (INTEQUI), Chacabuco y Pedernera, San Luis (Argentina); Facultad de Química, Bioquímica y Farmacia, Universidad Nacional de San Luis Chacabuco y Pedernera, San Luis (Argentina); Barbosa, Lucía [Instituto de Investigaciones en Tecnología Química (INTEQUI), Chacabuco y Pedernera, San Luis (Argentina); Instituto de Ciencias Básicas (ICB), Universidad Nacional de Cuyo Parque General San Martín, Mendoza (Argentina); Ruiz, María del Carmen [Instituto de Investigaciones en Tecnología Química (INTEQUI), Chacabuco y Pedernera, San Luis (Argentina); Facultad de Química, Bioquímica y Farmacia, Universidad Nacional de San Luis Chacabuco y Pedernera, San Luis (Argentina)

    2014-11-15

    Highlights: • Use of chlorination for the synthesis of magnesium aluminate spinel. • The reagents used were alumina, periclase and chlorine. • Isothermal and non-isothermal assays were performed in air and Cl{sub 2}–N{sub 2} flows. • The chlorination produced magnesium aluminate spinel at 700 °C. • Selectivity of the chlorination reaction to obtain spinel is very high. - Abstract: A pyrometallurgical route for the synthesis of magnesium aluminate spinel by thermal treatment of a mechanical mixture containing 29 wt% MgO (periclase) and 71 wt% Al{sub 2}O{sub 3} (alumina) in chlorine atmosphere was developed and the results were compared with those obtained by calcining the same mixture of oxides in air atmosphere. Isothermal and non-isothermal assays were performed in an experimental piece of equipment adapted to work in corrosive atmospheres. Both reagents and products were analyzed by differential thermal analysis (DTA), X-ray diffraction (XRD) and X-ray fluorescence (XRF). Thermal treatment in Cl{sub 2} atmosphere of the MgO–Al{sub 2}O{sub 3} mixture produces magnesium aluminate spinel at 700 °C, while in air, magnesium spinel is generated at 930 °C. The synthesis reaction of magnesium aluminate spinel was complete at 800 °C.

  9. Tailoring the magnetic properties and magnetorheological behavior of spinel nanocrystalline cobalt ferrite by varying annealing temperature

    OpenAIRE

    Sedlačík, Michal; Pavlínek, Vladimír; Peer, Petra; Filip, Petr

    2014-01-01

    Magnetic nanoparticles of spinel nanocrystalline cobalt ferrite were synthesized via the sol-gel method and subsequent annealing. The influence of the annealing temperature on the structure, magnetic properties, and magnetorheological effect was investigated. The finite crystallite size of the particles, determined by X-ray diffraction and the particle size observed via transmission electron microscopy, increased with the annealing temperature. The magnetic properties observed via a vibrating...

  10. Re4As6S3, a thio-spinel-related cluster system

    DEFF Research Database (Denmark)

    Besnard, Celine; Svensson, Christer; Ståhl, Kenny

    2003-01-01

    . The rhenium atoms form tetrahedral clusters linked via tetrahedral arsenic clusters to produce an NaCl-type arrangement. The oxidation state of rhenium is IV and the number of electrons shared by the rhenium atoms in the cluster is 12. The structure is based on an ordered defect thio-spinel A((1-x))B(2)X(4......) where the B-type atoms form tetrahedral clusters....

  11. Structural, electronic and optical properties of cubic SrTiO{sub 3} and KTaO{sub 3}: Ab initio and GW calculations

    Energy Technology Data Exchange (ETDEWEB)

    Benrekia, A.R., E-mail: benrekia.ahmed@yahoo.com [Faculty of Science and Technology, University of Medea (Algeria); Benkhettou, N. [Laboratoire des Materiaux Magnetiques, Faculte des Sciences, Universite Djillali Liabes de Sidi Bel Abbes (Algeria); Nassour, A. [Laboratoire de Cristallographie, Resonance Magnetique et Modelisations (CRM2, UMR CNRS 7036) Institut Jean Barriol, Nancy Universite BP 239, Boulevard des Aiguillettes, 54506 Vandoeuvre-les-Nancy (France); Driz, M. [Applied Material Laboratory (AML), Electronics Department, University of Sidi bel Abbes (DZ 22000) (Algeria); Sahnoun, M. [Laboratoire de Physique Quantique de la Matiere et Modelisations Mathematique (LPQ3M), Faculty of Science and Technology,University of Mascara (Algeria); Lebegue, S. [Laboratoire de Cristallographie, Resonance Magnetique et Modelisations (CRM2, UMR CNRS 7036) Institut Jean Barriol, Nancy Universite BP 239, Boulevard des Aiguillettes, 54506 Vandoeuvre-les-Nancy (France)

    2012-07-01

    We present first-principles VASP calculations of the structural, electronic, vibrational, and optical properties of paraelectric SrTiO{sub 3} and KTaO{sub 3}. The ab initio calculations are performed in the framework of density functional theory with different exchange-correlation potentials. Our calculated lattice parameters, elastic constants, and vibrational frequencies are found to be in good agreement with the available experimental values. Then, the bandstructures are calculated with the GW approximation, and the corresponding band gap is used to obtain the optical properties of SrTiO{sub 3} and KTaO{sub 3}.

  12. The performance of perovskites and spinels as catalysts for oxygen reduction in solid oxide fuel cell cathodes

    Science.gov (United States)

    Martin, Boris E.

    The lack of understanding of the catalytic process at the state-of-the-art cathode material surface in solid oxide fuel cells, (La0.8Sr 0.2)0.98MnO3+delta (LSM), has hindered the design of better catalysts. The objectives of this study were to design a system enabling the comparison of catalytic activities of different cathode materials independently of morphological factors, as well as to resolve catalytic processes at the LSM surface. The selection and optimization of potential cathode materials were performed on the basis of thermal expansion, four-probe dc-conductivity and thermoelectric power measurements in air. The materials studied as potential cathodes were tungsten, niobium and molybdenum doped barium cobaltite perovskites, copper manganese, cobalt manganese and cobalt ferrite spinels as well as strontium doped lanthanum cobalt ferrites and lanthanum manganite perovskites. The doped barium cobaltites were found lo offer superior electrical conductivity when octahedral site transition metal average valence was mixed 3+ /4+ compared to mixed 2+/3+. On the other hand, the loss of conductivity associated with octahedral site doping rendered these materials inadequate for solid oxide fuel cells (SOFC) cathode applications. Copper manganese spMd was found to exhibit electrical conductivity as high as ˜200 S.cm-1 at 1073 K and thermal expansion ˜ 11 ppm/K between 298 K and 1200 K. Thermal and chrono-potentiometric studies were used to determine the oxygen diffusivity, in cobalt and strontium doped lanthanum iron perovskites (LSCF), and revealed that the activation of strontium doped lanthanum manganese perovskites (LSM) under cathodic bias is kinetically limited by its rate of oxygen surface exchange, suggesting that the cathodic activation of LSM is due to its change in oxygen content under bias. The electronic defect structure of the cubic spinels was resolved in a defect reaction model involving the thermally activated redox of Cu + and Mn4+ to Cu2+ and Mn3

  13. First-principle study of the structural, electronic, and optical properties of cubic InN{sub x}P{sub 1-x} ternary alloys under hydrostatic pressure

    Energy Technology Data Exchange (ETDEWEB)

    Hattabi, I. [Ibn Khaldoun Univ. de Tiaret (Algeria). Lab. Synthese et Catalyse; Abdiche, A.; Riane, R. [Sidi-bel-Abbes Univ. (Algeria). Applied Materials Lab.; Moussa, R. [Sidi-bel-Abbes Univ. (Algeria). Physic Dept.; Hadji, K. [Ibn Khaldoun Univ. de Tiaret (Algeria). Science and Technology Dept.; Soyalp, F. [Yuezuencue Yil Univ., Van (Turkey). Dept. of Physics; Varshney, Dinesh [Devi Ahilya Univ., Indore (India). Materials Science Lab.; Syrotyuk, S.V. [National Univ. ' Lviv Polytechnic' , Lviv (Ukraine). Semiconductor Electronics Dept.; Khenata, R. [Mascara Univ. (Algeria). Lab. de Physique Quantique et de Modelisation Mathematique (LPQ3M)

    2016-07-01

    In this article, we present results of the first-principle study of the structural, electronic, and optical properties of the InN, InP binary compounds and their related ternary alloy InN{sub x}P{sub 1-x} in the zinc-blend (ZB) phase within a nonrelativistic full potential linearised augmented plan wave (FP-LAPW) method using Wien2k code based on the density functional theory (DFT). Different approximations of exchange-correlation energy were used for the calculation of the lattice constant, bulk modulus, and first-order pressure derivative of the bulk modulus. Whereas the lattice constant decreases with increasing nitride composition x. Our results present a good agreement with theoretical and experimental data. The electronic band structures calculated using Tran-Blaha-modified Becke-Johnson (TB-mBJ) approach present a direct band gap semiconductor character for InN{sub x}P{sub 1-x} compounds at different x values. The electronic properties were also calculated under hydrostatic pressure for (P=0.00, 5.00, 10.0, 15.0, 20.0, 25.0 GPa) where it is found that the InP compound change from direct to indirect band gap at the pressure P≥7.80 GPa. Furthermore, the pressure effect on the dielectric function and the refractive index was carried out. Results obtained in our calculations present a good agreement with available theoretical reports and experimental data.

  14. First-Principle Study of the Structural, Electronic, and Optical Properties of Cubic InNxP1-x Ternary Alloys under Hydrostatic Pressure

    Science.gov (United States)

    Hattabi, I.; Abdiche, A.; Moussa, R.; Riane, R.; Hadji, K.; Soyalp, F.; Varshney, Dinesh; Syrotyuk, S. V.; Khenata, R.

    2016-09-01

    In this article, we present results of the first-principle study of the structural, electronic, and optical properties of the InN, InP binary compounds and their related ternary alloy InNxP1-x in the zinc-blend (ZB) phase within a nonrelativistic full potential linearised augmented plan wave (FP-LAPW) method using Wien2k code based on the density functional theory (DFT). Different approximations of exchange-correlation energy were used for the calculation of the lattice constant, bulk modulus, and first-order pressure derivative of the bulk modulus. Whereas the lattice constant decreases with increasing nitride composition x. Our results present a good agreement with theoretical and experimental data. The electronic band structures calculated using Tran-Blaha-modified Becke-Johnson (TB-mBJ) approach present a direct band gap semiconductor character for InNxP1-x compounds at different x values. The electronic properties were also calculated under hydrostatic pressure for (P=0.00, 5.00, 10.0, 15.0, 20.0, 25.0 GPa) where it is found that the InP compound change from direct to indirect band gap at the pressure P≥7.80 GPa. Furthermore, the pressure effect on the dielectric function and the refractive index was carried out. Results obtained in our calculations present a good agreement with available theoretical reports and experimental data.

  15. Synthesis, Characterization, and Electronic Structure Studies of Cubic Bi1.5ZnTa1.5O7 for Photocatalytic Applications

    Directory of Open Access Journals (Sweden)

    Ganchimeg Perenlei

    2015-01-01

    Full Text Available Bi1.5ZnTa1.5O7 (BZT has been synthesized using an alkoxide based sol-gel reaction route. The evolution of the phases produced from the alkoxide precursors and their properties have been characterized as function of temperature using a combination of thermogravimetric analysis (TGA coupled with mass spectrometry (MS, infrared emission spectrometry (IES, X-ray diffraction (XRD, ultraviolet and visible (UV-Vis spectroscopy, Raman spectroscopy, and N2 adsorption/desorption isotherms. The lowest sintering temperature (600°C to obtain phase pure BZT powders with high surface area (14.5 m2/g has been determined from the thermal decomposition and phase analyses. The photocatalytic activity of the BZT powders has been tested for the decolorization of organic azo-dye and found to be photoactive under UV irradiation. The electronic band structure of the BZT has been investigated using density functional theory (DFT calculations to determine the band gap energy (3.12 eV and to compare it with experimental band gap (3.02 eV at 800°C from optical absorption measurements. An excellent match is obtained for an assumption of Zn cation substitutions at specifically ordered sites in the BZT structure.

  16. Effect of calcination temperature on microstructural and magnetic properties of CuFe2O4 spinel

    Energy Technology Data Exchange (ETDEWEB)

    Costa, A.F.; Melo, D.M.A.; Gomes, D.K.S.; Araujo, J.H.; Lima, A.C. [Universidade Federal do Rio Grande do Norte (UFRN), RN (Brazil); Pimentel, P.M. [Universidade Federal Rural do Semi-Arido (UFERSA), Mossoro, RN (Brazil); Santana, R.S.; Oliveira, R.M.P.B. [Universidade Federal de Sergipe (UFS), SE (Brazil)

    2014-07-01

    In this research, we report a study of nanostructured CuFe{sub 2}O{sub 4} Spinel obtained by a method which makes uses of gelatin as an organic precursor. The structural and magnetic properties were investigated in function of calcination temperature. The precursor powders were calcined at 700 and 900 deg C to obtain spinel phase. Then were characterized using X-ray diffraction combined with the Rietveld refinement method, infrared spectroscopy (FTIR), and magnetic measurements. The X-ray diffraction patterns revealed the presence of an inverse spinel phase, corresponding to copper ferrite in all samples. Moreover, Fe{sub 2}O{sub 3} and CuO phases were also identified. The results reveal that the calcination temperature strongly influences the magnetic properties of the prepared oxides. (author)

  17. Investigation of the structural, electronic and optical properties of the cubic RbMF{sub 3} perovskites (M = Be, Mg, Ca, Sr and Ba) using modified Becke-Johnson exchange potential

    Energy Technology Data Exchange (ETDEWEB)

    Sandeep, E-mail: sndp.chettri@gmail.com [Department of Physics, Mizoram University, Aizawl, 796004 (India); Rai, D.P. [Department of Physics, Pachhunga University College, Mizoram University, 796001 (India); Shankar, A. [Department of Physics, University of North Bengal, Darjeeling, 734013 (India); Ghimire, M.P. [Condensed Matter Physics Research Center, Butwal-13, Rupandehi, Lumbini (Nepal); IFW-Dresden, Helmholtzstraße 20, D-01069, Dresden (Germany); Khenata, R. [Laboratoire de Physique Quantique de la Mati´ere et de Modélisation Mathématique LPQ3M, Université de Mascara, Mascara, 29000 (Algeria); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P. O. Box 2455, Riyadh, 11451 (Saudi Arabia); Syrotyuk, S.V. [Semiconductor Electronics Department, Lviv Polytechnic National University, Lviv, 79013 (Ukraine); Thapa, R.K. [Department of Physics, Mizoram University, Aizawl, 796004 (India)

    2017-05-01

    The structural, electronic and optical properties of the cubic RbMF{sub 3} perovskites (M = Be, Mg, Ca, Sr, Ba) have been investigated using the full-potential linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential was applied using the generalized gradient approximation for calculating the structural properties In addition, the modified Becke-Johnson (TB-mBJ) potential was used for calculating the electronic and optical properties. It was found that the lattice constant increases while the bulk modulus decreases with the change of cation (M) in going from Be to Ba in the RbMF{sub 3} perovskites (M = Be, Mg, Ca, Sr, Ba). The reflectivity and absorption properties were also studied using the mBJ method to understand the inter-band transitions and their possible applications in absorption devices in the UV-region. - Highlights: • Closer estimate of the band-gaps of RbMF{sub 3} with experimental results using GGA and mBJ results predicting them to be absorption devices and substrates for thin film growth. • The RbMF{sub 3} were also found to be potential candidate for in absorption devices in UV-region which were correlated to their calculated optical properties. • The materials are transparent, so may be used as substrates for thin film growth, for the optoelectric applications.

  18. Method for thermal processing alumina-enriched spinel single crystals

    Science.gov (United States)

    Jantzen, Carol M.

    1995-01-01

    A process for age-hardening alumina-rich magnesium aluminum spinel to obtain the desired combination of characteristics of hardness, clarity, flexural strength and toughness comprises selection of the time-temperature pair for isothermal heating followed by quenching. The time-temperature pair is selected from the region wherein the precipitate groups have the characteristics sought. The single crystal spinel is isothermally heated and will, if heated long enough pass from its single phase through two pre-precipitates and two metastable precipitates to a stable secondary phase precipitate within the spinel matrix. Quenching is done slowly at first to avoid thermal shock, then rapidly.

  19. Cubical local partial orders on cubically subdivided spaces - existence and construction

    DEFF Research Database (Denmark)

    Fajstrup, Lisbeth

    The geometric models of Higher Dimensional Automata and Dijkstra's PV-model are cubically subdivided topological spaces with a local partial order. If a cubicalization of a topological space is free of immersed cubic Möbius bands, then there are consistent choices of direction in all cubes......, such that any n-cube in the cubic subdivision is dihomeomorphic to [0,1]^n with the induced partial order from R^n. After subdivision once, any cubicalized space has a cubical local partial order. In particular, all triangularized spaces have a cubical local partial order. This implies in particular...

  20. Cubical local partial orders on cubically subdivided spaces - Existence and construction

    DEFF Research Database (Denmark)

    Fajstrup, Lisbeth

    2006-01-01

    The geometric models of higher dimensional automata (HDA) and Dijkstra's PV-model are cubically subdivided topological spaces with a local partial order. If a cubicalization of a topological space is free of immersed cubic Möbius bands, then there are consistent choices of direction in all cubes......, such that any n-cube in the cubic subdivision is dihomeomorphic to [0,1]^n with the induced partial order from R^n. After subdivision once, any cubicalized space has a cubical local partial order. In particular, all triangularized spaces have a cubical local partial order. This implies in particular...

  1. Magnetic and catalytic properties of inverse spinel CuFe2O4 nanoparticles

    International Nuclear Information System (INIS)

    Anandan, S.; Selvamani, T.; Prasad, G. Guru; Asiri, A.M.; Wu, J.J.

    2017-01-01

    Highlights: • Copper ferrite (CuFe 2 O 4 ) nanoparticles were synthesized via citrate-nitrate combustion method. • Spectroscopic information’s have found that CuFe 2 O 4 nanoparticles as an inverse spinel structure. • Magnetic study exhibits CuFe 2 O 4 nanoparticles have ferromagnetic behavior. • CuFe 2 O 4 nanoparticles employed for photocatalytic decolourisation of methylene blue under visible light irradiation. - Abstract: In this research, inverse spinel copper ferrite nanoparticles (CuFe 2 O 4 NPs) were synthesized via citrate-nitrate combustion method. The crystal structure, particle size, morphology and magnetic studies were investigated using various instrumental tools to illustrate the formation of the inverse spinel structure. Mossbauer spectrometry identified Fe is located both in the tetrahedral and octahedral site in the ratio (40:60) and the observed magnetic parameters values such as saturation magnetization (M s = 20.62 emu g −1 ), remnant magnetization (M r = 11.66 emu g −1 ) and coercivity (H c = 63.1 mTesla) revealed that the synthesized CuFe 2 O 4 NPs have a typical ferromagnetic behaviour. Also tested CuFe 2 O 4 nanoparticles as a photocatalyst for the decolourisation of methylene blue (MB) in the presence of peroxydisulphate as the oxidant.

  2. Synthesis, structure and magnetic properties of CoFe2O4 nanomaterial by coprecipitation method

    International Nuclear Information System (INIS)

    Nguyen Anh Tien; Hoang Thi Tuyet

    2015-01-01

    CoFe 2 O 4 spinel nanomaterial has been synthesized by coprecipitation method through the hydrolysis of Co(II) and Fe(III) cations in boiling water. The results of DTA/TGA/DrTGA, XRD, TEM methods showed that CoFe 2 O 4 crystals formed after a calcination at 700 °C exhibited structure of cubic with the particles size of 30-50 nm, H c = 1526.89 Oe, M s = 41.703 emu/g, M r = 19.545 emu/g. (author)

  3. Weighted cubic and biharmonic splines

    Science.gov (United States)

    Kvasov, Boris; Kim, Tae-Wan

    2017-01-01

    In this paper we discuss the design of algorithms for interpolating discrete data by using weighted cubic and biharmonic splines in such a way that the monotonicity and convexity of the data are preserved. We formulate the problem as a differential multipoint boundary value problem and consider its finite-difference approximation. Two algorithms for automatic selection of shape control parameters (weights) are presented. For weighted biharmonic splines the resulting system of linear equations can be efficiently solved by combining Gaussian elimination with successive over-relaxation method or finite-difference schemes in fractional steps. We consider basic computational aspects and illustrate main features of this original approach.

  4. Magneto-structural studies of sol–gel synthesized nanocrystalline manganese substituted nickel ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Pandav, R.S. [Department of Chemistry, Shivaji University, Kolhapur 416004, MH (India); Patil, R.P. [Department of Chemistry, M.H. Shinde Mahavidyalaya, Tisangi 416206, MH (India); Chavan, S.S. [Department of Chemistry, Shivaji University, Kolhapur 416004, MH (India); Mulla, I.S. [Centre for Materials for Electronics and Technology (C-MET), Panchavati, Pune 411008 (India); Hankare, P.P., E-mail: p_hankare@rediffmail.com [Department of Chemistry, Shivaji University, Kolhapur 416004, MH (India)

    2016-11-01

    Nanocrystalline NiFe{sub 2−x}Mn{sub x}O{sub 4} (2≥x≥0) ferrites were prepared by sol–gel method. X-ray diffraction patterns reveal that synthesized compounds are in single phase cubic spinel lattice for all the composition. The surface morphology of all the samples were studied by scanning electron microscopy. The particle size measured from transmission electron microscopy and X-ray diffraction patterns confirms the nanosized dimension of the as-prepared powder. The elemental analysis was carried out by energy dispersive X-ray analysis technique. Magnetic properties such as saturation magnetization, coercivity and remanence are studied as a function of increasing Mn concentration at room temperature. The saturation magnetization shows a decreasing trend with increase in Mn content. The substitution of manganese in the nickel ferrite affects the structural and magnetic properties of cubic spinels. - Highlights: • NiFe{sub 2−x}Mn{sub x}O{sub 4} system was synthesized by a chemical combustion route. • All samples shows cubic phase. • All the synthesized ferrospinels are in nanocrystalline form. • The saturation magnetization decreases with increase in Mn content.

  5. Synthesis and optical property of zinc aluminate spinel cryogels

    Directory of Open Access Journals (Sweden)

    Lifen Su

    2016-06-01

    Full Text Available Zinc aluminate spinel cryogels with various molar ratio of Al/Zn are synthesized by sol–gel technology followed by vacuum freeze drying. The structures and optical properties are both found to be affected by the molar ratios of Al/Zn and annealed temperatures. The peaks of zinc oxide (ZnO and zinc dialuminum oxide (ZnAl2O4 are both obtained for the samples with more Zn content annealed at 750 °C or upward. The composites have a large surface area (137 m2/g with mesoporous structure after annealing at 750 °C. The SEM images reveal that the ZnAl2O4 crystals formed a multilayer structure with redundant ZnO particles which deposited on it. Furthermore, the maximum infrared reflectance is about 80% with an improvement of 35% in the infrared region after annealing at 950 °C compared with that of 450 °C, which indicates that these porous cryogels have a potential application as thermal insulating materials at a high temperature.

  6. Unique atom hyper-kagome order in Na4Ir3O8 and in low-symmetry spinel modifications.

    Science.gov (United States)

    Talanov, V M; Shirokov, V B; Talanov, M V

    2015-05-01

    Group-theoretical and thermodynamic methods of the Landau theory of phase transitions are used to investigate the hyper-kagome atomic order in structures of ordered spinels and a spinel-like Na4Ir3O8 crystal. The formation of an atom hyper-kagome sublattice in Na4Ir3O8 is described theoretically on the basis of the archetype (hypothetical parent structure/phase) concept. The archetype structure of Na4Ir3O8 has a spinel-like structure (space group Fd\\bar 3m) and composition [Na1/2Ir3/2](16d)[Na3/2](16c)O(32e)4. The critical order parameter which induces hypothetical phase transition has been stated. It is shown that the derived structure of Na4Ir3O8 is formed as a result of the displacements of Na, Ir and O atoms, and ordering of Na, Ir and O atoms, ordering dxy, dxz, dyz orbitals as well. Ordering of all atoms takes place according to the type 1:3. Ir and Na atoms form an intriguing atom order: a network of corner-shared Ir triangles called a hyper-kagome lattice. The Ir atoms form nanoclusters which are named decagons. The existence of hyper-kagome lattices in six types of ordered spinel structures is predicted theoretically. The structure mechanisms of the formation of the predicted hyper-kagome atom order in some ordered spinel phases are established. For a number of cases typical diagrams of possible crystal phase states are built in the framework of the Landau theory of phase transitions. Thermodynamical conditions of hyper-kagome order formation are discussed by means of these diagrams. The proposed theory is in accordance with experimental data.

  7. Structural, optical and dielectric properties of transition metal (MFe2O4; M = Co, Ni and Zn) nanoferrites

    Science.gov (United States)

    Chand, Prakash; Vaish, Swapnil; Kumar, Praveen

    2017-11-01

    In the present work, transition metal spinel ferrite (MFe2O4; M = Co, Ni, Zn) nanostructures synthesized by chemical co-precipitation method. XRD analysis confirms the formation of cubic spinel-type structure with space group Fd3m and the average crystallite size calculated by Scherrer's formula found to be in 9-14 nm range. Scanning electron microscopy was used to study surface morphology of the samples. Moreover, Raman and PL spectra also confirm the formation of the cubic structure. The Raman spectra measured on cobalt, nickel and zinc ferrite revealed a larger number of phonon bands than expected for the cubic spinel structure. The calculated optical energy band gaps, obtained by Tauc's relation from UV-Vis absorption spectra are found to be as 2.44, 3.54 and 3.25 eV for CoFe2O4, NiFe2O4&ZnFe2O, respectively. The analysis of the complex impedance spectra of all ferrites samples shows the presence of one semicircular arc at all selected temperatures, signifying a key role of the grain boundary contribution. The dielectric constants (ε ‧) were measured in the frequency range from 10 Hz to 5 MHz at different temperatures and is found to be decreased suddenly with an increase in frequency and maintain a steady state or constant at higher frequencies for all the three samples. The AC conductivity is found to be increased with frequency and temperature of all the three samples which is explained on the basis of Koop's phenomenological theory.

  8. Phenomenological thermodynamics and the structure formation mechanism of the CuTi₂S₄ rhombohedral phase.

    Science.gov (United States)

    Talanov, Michail V; Shirokov, Vladimir B; Talanov, Valery M

    2016-04-21

    The theory of structural phase transition in CuTi2S4 is proposed. The symmetry of order parameters, thermodynamics and the mechanism of the atomic structure formation of the rhombohedral Cu-Ti-thiospinel have been studied. The critical order parameter inducing the phase transition has been found. Within the Landau theory of phase transitions, it is shown that the phase state may change from the high-symmetry cubic disordered Fd3[combining macron]m phase to the low-symmetry ordered rhombohedral R3[combining macron]m phase as a result of phase transition of the first order close to the second order. It is shown that the rhombohedral structure of CuTi2S4 is formed as a result of the displacements of all types of atoms and the ordering of Cu-atoms (1 : 1 order type in tetrahedral spinel sites), Ti-atoms (1 : 1 : 6 order type in octahedral spinel sites), and S-atoms (1 : 1 : 3 : 3 order type). The Cu- and Ti-atoms form metal nanoclusters which are named a "bunch" of dimers. The "bunch" of dimers in CuTi2S4 is a new type of self-organization of atoms in frustrated spinel-like structures. It is shown that Ti-atoms also form other types of metal nanoclusters: trimers and tetrahedra.

  9. Exchange-coupling of hard and soft magnetic sublattices and magnetic anomalies in mixed spinel NiFe0.75Cr1.25O4 nanoparticles

    Science.gov (United States)

    Lyubutin, I. S.; Starchikov, S. S.; Baskakov, A. O.; Gervits, N. E.; Lin, Chun-Rong; Tseng, Yaw-Teng; Lee, Wen-Jen; Shih, Kun-Yauh

    2018-04-01

    A set of single-crystalline nanoparticles (NPs) of nickel-chromium ferrite NiFe0.75Cr1.25O4 with a cubic spinel structure were synthesized and investigated. The NPs size can be varied from about 5 to 50 nm by the final annealing of the precursor at different temperatures. The distribution of cations over the tetrahedral (A) and the octahedral [B] sites (Fe0.75 Ni0.25) [Ni0.75 Cr1.25] O4 was established from the magnetic and Mössbauer measurements. In large NPs, the magnetic structure at low temperatures is close to the collinear antiferromagnetic (AFM) structure of the Neel type; and the total magnetic moment Mtot of the ferrite coincides with the direction of the B-sublattice moment. Several size-dependent magnetic anomalies were revealed. Three types of magnetic ions present in the A- and B- sublattices cause the competition of AFM and FM exchange interactions resulting in the highly frustrated magnetic ordering and the occurrence of canted magnetic structure in the octahedral B-sublattice. The frustrated structure is very flexible and significantly subjected to temperature and applied field. It results in several magnetic anomalies observed, including the occurrence of magnetic compensation, abnormal behavior of ZFC and FC magnetization curves and hysteresis loops. It was shown that magnetic anomalies can be explained in terms of exchange coupling of "soft" and "hard" magnetic B- and A-sublattices. This effect in the (Fe0.75 Ni0.25) [Ni0.75Cr1.25] O4 NPs can be considered as an atomic-scale analog of a similar effect observed in two-phase exchange-coupled alloys developed for permanent magnets and for the perpendicular recoding media.

  10. PREPARATION OF NICKEL - COBALT SPINEL OXIDES NixCO3 ...

    African Journals Online (AJOL)

    ABSTRACT. A comparative study of two electro-physical properties (porosity and electrical conductivity) of binary nickel cobalt oxides electrodes with spinels mixed oxides NixCo3-xO4 as active matter, was carried out. Four different routes were used to prepare spinel-type NixCo3-xO4 (0 ≤ x ≤. 2.5) compounds in order to ...

  11. Thermal expansion of spinel-type Si3N4

    DEFF Research Database (Denmark)

    Paszkowics, W.; Minkikayev, R.; Piszora, P.

    2004-01-01

    The lattice parameter and thermal expansion coefficient (TEC) for the spinel-type Si3N4 phase prepared under high-pressure and high-temperature conditions are determined for 14 K......The lattice parameter and thermal expansion coefficient (TEC) for the spinel-type Si3N4 phase prepared under high-pressure and high-temperature conditions are determined for 14 K...

  12. Superexchange Effects on Oxygen Reduction Activity of Edge-Sharing [Cox Mn1-x O6 ] Octahedra in Spinel Oxide.

    Science.gov (United States)

    Zhou, Ye; Sun, Shengnan; Xi, Shibo; Duan, Yan; Sritharan, Thirumany; Du, Yonghua; Xu, Zhichuan J

    2018-03-01

    Mn-Co containing spinel oxides are promising, low-cost electrocatalysts for the oxygen reduction reaction (ORR). Most studies are devoted to the design of porous Mn-Co spinels or to strongly coupled hybrids (e.g., MnCo 2 O 4 /N-doped-rmGO) to maximize the mass efficiency. The lack of analyses by metal oxide intrinsic activity (activity normalized to catalysts' surface area) hinders the development of fundamental understanding of the physicochemical principles behind the catalytic activities. A systematic study on the composition dependence of ORR in ZnCo x Mn 2- x O 4 (x = 0.0-2.0) spinel is presented here with special attention to the role of edge sharing [Co x Mn 1- x O 6 ] octahedra in the spinel structure. The ORR specific activity of ZnCo x Mn 2- x O 4 spans across a potential window of 200 mV, indicating an activity difference of ≈3 orders of magnitude. The curve of composition-dependent ORR specific activity as a function of Co substitution exhibits a volcano shape with an optimum Mn/Co ratio of 0.43. It is revealed that the modulated e g occupancy of active Mn cations (0.3-0.9), as a consequence of the superexchange effect between edge sharing [CoO 6 ] and [MnO 6 ], reflects the ORR activity of edge sharing [Co x Mn 1- x O 6 ] octahedra in the ZnCo x Mn 2- x O 4 spinel oxide. These findings offer crucial insights in designing spinel oxide catalysts with fine-tuned e g occupancy for efficient catalysis. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Microstructural study of synthetic spinel from natural raw materials

    Energy Technology Data Exchange (ETDEWEB)

    Chao, Y.; Hagni, R.D. (Univ. of Missouri, Rolla, MO (United States). Dept. of Geology and Geophysics); Caballero, A. (Inst. de Ceramica y Vidrio, Madrid (Spain)); Moore, R.E. (Univ. of Missouri, Rolla, MO (United States). Dept. of Ceramic Engineering)

    1993-03-01

    Alumina-magnesia spinel is being used increasingly as a high quality refractory in furnace and cement rotary kiln applications, but the costs of synthetic powders and grains limit its application. Different sources of bauxite from Guyana and China and diaspore from Missouri have been utilized to synthesize spinel for refractories in order to reduce the cost. The purpose of this research is to examine extent and character or spinel formation under different firing conditions and varying Al[sub 2]O[sub 3]:MgO ratios. Finely ground raw materials were mixed with hardburned magnesia in certain ratios to form spinel. X-ray analysis has been completed and shows that spinel readily occurs, after heating at 1,550 C, together with some impurity minerals such as mullite, rutile, corundum and some glassy phases. In order to study the microstructure, quantitative analysis, reflected light microscopy, scanning electron microscopy (SEM) and automatic image analysis are currently being utilized to determine the amount and distribution of each phase present in 39 samples prepared at different firing temperatures and with different chemical compositions. The results of this investigation provide a better understanding of the character of the microstructures of synthetic spinels.

  14. Study of irradiation damages in MgAl{sub 2}O{sub 4} and ZnAl{sub 2}O{sub 4} spinels in the framework of nuclear waste transmutation; Dommages d'irradiation dans des ceramiques de structure spinelle MgAl{sub 2}O{sub 4} et ZnAl{sub 2}O{sub 4} application a la transmutation des dechets nucleaires

    Energy Technology Data Exchange (ETDEWEB)

    Thiriet-Dodane, C

    2002-07-01

    The transmutation of minor actinides in-reactor is one solution currently being studied for the long time management of nuclear waste. In the heterogeneous concept the radionuclides are incorporating in an inert ceramic matrix. The support material must be insensitive to radiation damage. Fission product damage is the main radiation damage source during the transmutation process and therefore it is of the utmost importance to study their effects. We irradiated spinels MgAl{sub 2}O{sub 4} (matrix of reference) and ZnAl{sub 2}O{sub 4} by fast ions (by example: {sup 86}Kr of approximately 400 MeV) simulating the fission products. Under these conditions, the damage is primarily due to the electronic energy losses (S{sub e}). One of the structural features of spinel AB{sub 2}O{sub 4} is that the two cations (A{sup 2+} and B{sup 3+}) can exchange their site. This phenomenon is quantified by the inversion parameter. We highlight by XRD in grazing incidence that the structural changes observed in MgAl{sub 2}O{sub 4} correspond to an order-disorder transition from the cation sub-networks and not to a phase shift as described in the literature. Using other techniques characterizing the space group (Raman spectroscopy) as well as the local order (NMR 27Al, spectroscopy of absorption X with the thresholds K of Al and Zn), we confirm this interpretation. Moreover, for a fluence of 10{sup 14} ions/cm{sup 2}, the loss of the order at long distance is observed thus meaning a beginning of amorphization of material. The ZnAl{sub 2}O{sub 4} spinel presents the same behaviour. For this last spinel, an evolution of the inversion parameter according to the stopping power 2 was highlighted after irradiation by ions {sup 86}Kr from approximately 20 MeV. We illustrate our study by the analysis of the results obtained in XRD of an irradiation out of composite fuel (MgAl{sub 2}O{sub 4} + UO{sub 2}) called THERMHET. (authors)

  15. Trapping of cubic ZnO nanocrystallites at ambient conditions

    DEFF Research Database (Denmark)

    Decremps, F.; Pellicer-Porres, J.; Datchi, F.

    2002-01-01

    Dense powder of nanocrystalline ZnO has been recovered at ambient conditions in the metastable cubic structure after a heat treatment at high pressure (15 GPa and 550 K). Combined x-ray diffraction (XRD) and x-ray absorption spectroscopy (XAS) experiments have been performed to probe both long-ra...

  16. Interplay between structural and magnetic phase transitions in copper ferrite studied with high-resolution neutron diffraction

    Science.gov (United States)

    Balagurov, A. M.; Bobrikov, I. A.; Pomjakushin, V. Yu.; Sheptyakov, D. V.; Yushankhai, V. Yu.

    2015-01-01

    A detailed neutron diffraction study of copper ferrite in a broad temperature range has allowed to precisely access the peculiarities of magnetic and structural phase transitions in it. On heating from 2 to 820 K, a fully inverted tetragonal (sp. gr. I41/amd) spinel CuFe2O4 is observed up to a TC≈660 K, where a cubic phase (sp. gr. Fd3m) appears, and up to T≈700 K, both structural phases coexist. The inversion parameter of spinel structure does not change at the transition to the cubic phase. Deformation of the (Cu,Fe)O6 octahedra in the tetragonal phase corresponds to the Jahn-Teller nature of the structural phase transition. Néel ferrimagnetic structure - a ferromagnetic ordering of the magnetic moments of Fe3+ in the tetrahedral (A) and moments of Fe3+ and Cu2+ in the octahedral (B) positions with opposite directions of magnetization of the sublattices - disappears at TN≈750 K. The magnetic moment in the A-positions (Fe3+) and the total one in the B-positions (Fe3++Cu2+) at Ttheory. In the co-existence range of structural phases diffraction peaks are significantly broadened. The size effects providing the main contribution to peak broadening is also superimposed with the microstrain-conditioned peak broadening. In the tetragonal phase, microstrains in the crystallites are highly anisotropic.

  17. Cubical sets and the topological topos

    DEFF Research Database (Denmark)

    Spitters, Bas

    2016-01-01

    Coquand's cubical set model for homotopy type theory provides the basis for a computational interpretation of the univalence axiom and some higher inductive types, as implemented in the cubical proof assistant. This paper contributes to the understanding of this model. We make three contributions......: 1. Johnstone's topological topos was created to present the geometric realization of simplicial sets as a geometric morphism between toposes. Johnstone shows that simplicial sets classify strict linear orders with disjoint endpoints and that (classically) the unit interval is such an order. Here we...... show that it can also be a target for cubical realization by showing that Coquand's cubical sets classify the geometric theory of flat distributive lattices. As a side result, we obtain a simplicial realization of a cubical set. 2. Using the internal `interval' in the topos of cubical sets, we...

  18. Cubic phase nanoparticles for sustained release of ibuprofen: formulation, characterization, and enhanced bioavailability study

    Science.gov (United States)

    Dian, Linghui; Yang, Zhiwen; Li, Feng; Wang, Zhouhua; Pan, Xin; Peng, Xinsheng; Huang, Xintian; Guo, Zhefei; Quan, Guilan; Shi, Xuan; Chen, Bao; Li, Ge; Wu, Chuanbin

    2013-01-01

    In order to improve the oral bioavailability of ibuprofen, ibuprofen-loaded cubic nanoparticles were prepared as a delivery system for aqueous formulations. The cubic inner structure was verified by cryogenic transmission electron microscopy. With an encapsulation efficiency greater than 85%, the ibuprofen-loaded cubic nanoparticles had a narrow size distribution around a mean size of 238 nm. Differential scanning calorimetry and X-ray diffraction determined that ibuprofen was in an amorphous and molecular form within the lipid matrix. The in vitro release of ibuprofen from cubic nanoparticles was greater than 80% at 24 hours, showing sustained characteristics. The pharmacokinetic study in beagle dogs showed improved absorption of ibuprofen from cubic nanoparticles compared to that of pure ibuprofen, with evidence of a longer half-life and a relative oral bioavailability of 222% (P ibuprofen-loaded cubic nanoparticles provide a promising carrier candidate with an efficient drug delivery for therapeutic treatment. PMID:23468008

  19. Crystallographic and magnetic properties of the spinel-type ferrites ZnxCo1-xFe2O4 (0.0 ≤ x ≤ 0.75)

    Science.gov (United States)

    Azad, A. K.; Zakaria, A. K. M.; Jewel, Md. Yusuf; Khan, Abu Saeed; Yunus, S. M.; Kamal, I.; Datta, T. K.; Eriksson, S.-G.

    2015-05-01

    Ultrahigh frequencies (UHF) have applications in signal and power electronics to minimize product sizes, increase production quantity and lower manufacturing cost. In the UHF range of 300 MHz to 3 GHz, ferrimagnetic iron oxides (ferrites) are especially useful because they combine the properties of a magnetic material with that of an electrical insulator. Ferrites have much higher electrical resistivity than metallic ferromagnetic materials, resulting in minimization of the eddy current losses, and total penetration of the electromagnetic (EM) field. Hence ferrites are frequently applied as circuit elements, magnetic storage media like read/write heads, phase shifters and Faraday rotators. The electromagnetic properties of ferrites are affected by operating conditions such as field strength, temperature and frequency. The spinel system ZnxCo1-xFe2O4 (x=0.0, 0.25, 0.50 and 0.75) has been prepared by the standard solid state sintering method. X-ray and neutron powder diffraction measurements were performed at room temperature. Neutron diffraction data analysis confirms the cubic symmetry corresponding to the space group Fd3m. The distribution of three cations Zn2+, Co2+ and Fe3+ over the spinel lattice and other crystallographic parameters like lattice constant, oxygen position parameter, overall temperature factor and occupancies of different ions in different lattice sites for the samples have been determined from the analysis of neutron diffraction data. The lattice constant increases with increasing Zn content in the system. The magnetic structure was found to be ferrimagnetic for the samples with x≤0.50. Magnetization measurements show that with the increase of Zn content in the system the value of saturation magnetization first increases and then decreases. The variation of the magnetic moment with Zn substitution has been discussed in terms of the distribution of magnetic and non-magnetic ions over the A and B sub-lattices and their exchange coupling.

  20. Structural, morphological and electrical properties of Sn-substituted Ni-Zn ferrites synthesized by double sintering technique

    Energy Technology Data Exchange (ETDEWEB)

    Ali, M.A. [Department of Physics, Chittagong University of Engineering and Technology (CUET), Chittagong 4349 (Bangladesh); Uddin, M.M., E-mail: mohi@cuet.ac.bd [Department of Physics, Chittagong University of Engineering and Technology (CUET), Chittagong 4349 (Bangladesh); Khan, M.N.I. [Materials Science Division, Atomic Energy Center, Dhaka 1000 (Bangladesh); Chowdhury, F.U.-Z. [Department of Physics, Chittagong University of Engineering and Technology (CUET), Chittagong 4349 (Bangladesh); Haque, S.M. [Materials Science Division, Atomic Energy Center, Dhaka 1000 (Bangladesh)

    2017-02-15

    The Sn-substituted Ni-Zn ferrites, (0.0≤x≤0.30), have been synthesized by the standard double sintering technique from the oxide nanopowders of Ni, Zn, Fe and Sn. The structural and electrical properties have been investigated by the X-ray diffraction (XRD), scanning electron microscopy (SEM), DC resistivity and dielectric measurements. From XRD data, the single cubic spinel phase has been confirmed for x≤0.1, whereas for x>0.1 an extra intermediate phase has been detected along with the cubic spinel phase of Ni-Zn ferrite. The grain size is increased due to Sn substitution in Ni-Zn ferrites. DC resistivity as a function of temperature has been measured by two probe method. The semiconducting nature has been found operative in the samples. The DC resistivity was found to decrease whilst the dielectric constant increased with increasing Sn content in Ni-Zn ferrites. The unusual behavior of the dielectric loss factor of the ferrites was explained by the Rezlescu model. The electrical relaxation of the ferrites has been studied in terms of electric modulus formalism and the time for dielectric relaxation was calculated. The contribution of grain resistance has been studied from the Cole-Cole plot. The suitability to use the as prepared samples in the miniaturized memory devices based capacitive components or energy storage principles are confirmed from the values of dielectric constant. - Highlights: • Sn-substituted Ni-Zn ferrites with cubic spinel structure have been synthesized. • a{sub th} is calculated and well compared with a{sub expt}. • Dielectric unusual behavior has been successfully explained by the Rezlescu model. • Long τ (ns) is determined, can be utilized for memory and spintronics devices.

  1. The role of praseodymium substituted ions on electrical and magnetic properties of Mg spinel ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Farid, Muhammad Tahir, E-mail: tahirfaridbzu@gmail.com; Ahmad, Ishtiaq; Kanwal, Muddassara; Murtaza, Ghulam; Ali, Irshad; Khan, Sajjad Ahmad

    2017-04-15

    Spinel ferrites with composition MgPr{sub y}Fe{sub 2−y}O{sub 4} (y=0.0, 0.025, 0.05, 0.075, 0.10) were successfully synthesized using sol-gel auto-combustion technique. The structural prisoperties of a prepared sintered powder were characterized with the help of X-ray Diffraction (XRD) and then also by using Scanning electron microscopy (SEM). Electrical measurements demonstrate that resistivity and activation energy increases with the Praseodymium substitution while dc resistivity decreases with the rise of temperature showing the semiconductor nature of the synthesized ferrites. Remanence and the saturation magnetization (M{sub s}) decrease while coercivity (H{sub c}) also increases with the increase in praseodymium contents. Anisotropic constant is observed to exhibit similar behavior as H{sub C}. The above mentioned parameters suggest that the synthesized samples are favorable for microwave absorbing purposes. - Highlights: • Magnesium based spinel ferrites were successfully synthesized by sol-gel method. • The spinel phase has been observed in all samples. • The dc resistivity are found to increase with increasing Pr content • The samples with high resistivity have high values of activation energy. • The Ms Decreases with increasing Pr contents while Hc increases.

  2. On orbital topological equivalence of cubic ODEs in two-dimensional algebras

    OpenAIRE

    Balanov, Zolman; Krawcewicz, Wiesław; Zur, Shira

    2005-01-01

    Cubic differential systems in real commutative two-dimensional algebras are classified up to orbital topological equivalence via the solubility of polynomial equations in algebras. As a by-product, existence of bounded solutions in such systems is studied via complex structures in the algebras. Application to the existence of periodic solutions to $n$-dimensional differential systems "cubic at infinity" is given.

  3. Cubic spline functions for curve fitting

    Science.gov (United States)

    Young, J. D.

    1972-01-01

    FORTRAN cubic spline routine mathematically fits curve through given ordered set of points so that fitted curve nearly approximates curve generated by passing infinite thin spline through set of points. Generalized formulation includes trigonometric, hyperbolic, and damped cubic spline fits of third order.

  4. Nanoparticles of spinel and perovskite ferromagnets and prospects for their application in medicine

    Energy Technology Data Exchange (ETDEWEB)

    Belous, A. G., E-mail: belous@ionc.kar.net, E-mail: solopan@ukr.net, E-mail: yelenicho@ukr.net; Solopan, S. O., E-mail: belous@ionc.kar.net, E-mail: solopan@ukr.net, E-mail: yelenicho@ukr.net; Yelenich, O. V., E-mail: belous@ionc.kar.net, E-mail: solopan@ukr.net, E-mail: yelenicho@ukr.net [Institute of General and Inorganic Chemistry, prospekt Palladina 32-34, 03142 Kyiv (Ukraine); Tovstolytkin, A. I., E-mail: atov@imag.kiev.ua [Institute of Magnetism, bulvar Vernadskoho 36-b, 03142 Kyiv (Ukraine); Kolodiazhnyi, T. V., E-mail: kolodiazhnyi.taras@nims.go.jp [National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Osinsky, S. P., E-mail: osion@onconet.kiev.ua, E-mail: bybnovskayal@ukr.net; Bubnovskaya, L. N., E-mail: osion@onconet.kiev.ua, E-mail: bybnovskayal@ukr.net [R.E. Kavetsky Institute of Experimental Pathology, Oncology and Radiobiology, vul. Vasylkivska 45, 03022 Kyiv (Ukraine)

    2014-11-05

    In this work, nanoparticles of La{sub 0.75}Sr{sub 0.25}MnO{sub 3} compounds with perovskite structure and AFe{sub 2}O{sub 4} (A = Mn, Fe, Co, Ni, Zn) with spinel structure have been synthesized by precipitation from diethylene glycol and microemulsion using Triton X-100 surfactant. Comparative X-ray diffraction and magnetic studies of the synthesized nanoparticles have been carried out. Magnetic fluids prepared from synthesized nanopowders have been characterized by calorimetric measurements of specific loss power (SLP)

  5. Topics in Cubic Special Geometry

    CERN Document Server

    Bellucci, Stefano; Roychowdhury, Raju

    2011-01-01

    We reconsider the sub-leading quantum perturbative corrections to N=2 cubic special Kaehler geometries. Imposing the invariance under axion-shifts, all such corrections (but the imaginary constant one) can be introduced or removed through suitable, lower unitriangular symplectic transformations, dubbed Peccei-Quinn (PQ) transformations. Since PQ transformations do not belong to the d=4 U-duality group G4, in symmetric cases they generally have a non-trivial action on the unique quartic invariant polynomial I4 of the charge representation R of G4. This leads to interesting phenomena in relation to theory of extremal black hole attractors; namely, the possibility to make transitions between different charge orbits of R, with corresponding change of the supersymmetry properties of the supported attractor solutions. Furthermore, a suitable action of PQ transformations can also set I4 to zero, or vice versa it can generate a non-vanishing I4: this corresponds to transitions between "large" and "small" charge orbit...

  6. Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.

    Science.gov (United States)

    Weierstall, Uwe; James, Daniel; Wang, Chong; White, Thomas A; Wang, Dingjie; Liu, Wei; Spence, John C H; Bruce Doak, R; Nelson, Garrett; Fromme, Petra; Fromme, Raimund; Grotjohann, Ingo; Kupitz, Christopher; Zatsepin, Nadia A; Liu, Haiguang; Basu, Shibom; Wacker, Daniel; Han, Gye Won; Katritch, Vsevolod; Boutet, Sébastien; Messerschmidt, Marc; Williams, Garth J; Koglin, Jason E; Marvin Seibert, M; Klinker, Markus; Gati, Cornelius; Shoeman, Robert L; Barty, Anton; Chapman, Henry N; Kirian, Richard A; Beyerlein, Kenneth R; Stevens, Raymond C; Li, Dianfan; Shah, Syed T A; Howe, Nicole; Caffrey, Martin; Cherezov, Vadim

    2014-01-01

    Lipidic cubic phase (LCP) crystallization has proven successful for high-resolution structure determination of challenging membrane proteins. Here we present a technique for extruding gel-like LCP with embedded membrane protein microcrystals, providing a continuously renewed source of material for serial femtosecond crystallography. Data collected from sub-10-μm-sized crystals produced with less than 0.5 mg of purified protein yield structural insights regarding cyclopamine binding to the Smoothened receptor.

  7. Smooth cubic commensurate oxides on gallium nitride

    Energy Technology Data Exchange (ETDEWEB)

    Paisley, Elizabeth A.; Gaddy, Benjamin E.; LeBeau, James M.; Shelton, Christopher T.; Losego, Mark D.; Mita, Seiji; Collazo, Ramón; Sitar, Zlatko; Irving, Douglas L.; Maria, Jon-Paul, E-mail: jpmaria@ncsu.edu [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Biegalski, Michael D.; Christen, Hans M. [Center for Nanophase Materials Science, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2014-02-14

    Smooth, commensurate alloys of 〈111〉-oriented Mg{sub 0.52}Ca{sub 0.48}O (MCO) thin films are demonstrated on Ga-polar, c+ [0001]-oriented GaN by surfactant-assisted molecular beam epitaxy and pulsed laser deposition. These are unique examples of coherent cubic oxide|nitride interfaces with structural and morphological perfection. Metal-insulator-semiconductor capacitor structures were fabricated on n-type GaN. A comparison of leakage current density for conventional and surfactant-assisted growth reveals a nearly 100× reduction in leakage current density for the surfactant-assisted samples. HAADF-STEM images of the MCO|GaN interface show commensurate alignment of atomic planes with minimal defects due to lattice mismatch. STEM and DFT calculations show that GaN c/2 steps create incoherent boundaries in MCO over layers which manifest as two in-plane rotations and determine consequently the density of structural defects in otherwise coherent MCO. This new understanding of interfacial steps between HCP and FCC crystals identifies the steps needed to create globally defect-free heterostructures.

  8. Spin Filtering in Epitaxial Spinel Films with Nanoscale Phase Separation

    KAUST Repository

    Li, Peng

    2017-05-08

    The coexistence of ferromagnetic metallic phase and antiferromagnetic insulating phase in nanoscaled inhomogeneous perovskite oxides accounts for the colossal magnetoresistance. Although the model of spin-polarized electron transport across antiphase boundaries has been commonly employed to account for large magnetoresistance (MR) in ferrites, the magnetic anomalies, the two magnetic phases and enhanced molecular moment, are still unresolved. We observed a sizable MR in epitaxial spinel films (NiCo2O4-δ) that is much larger than that commonly observed in spinel ferrites. Detailed analysis reveals that this MR can be attributed to phase separation, in which the perfect ferrimagnetic metallic phase and ferrimagnetic insulating phase coexist. The magnetic insulating phase plays an important role in spin filtering in these phase separated spinel oxides, leading to a sizable MR effect. A spin filtering model based on Zeeman effect and direct tunneling is developed to account for MR of the phase separated films.

  9. Effect of mulitivalent cation dopants on lithium manganese spinel cathodes

    CSIR Research Space (South Africa)

    De Kock, A

    1998-02-01

    Full Text Available Mn,m,jM,,,,,O,+, spinels with hl = Mg?, Zn?+ and A13+, 0 < d I 0.15, h = 2 or 3 and 6 = 0 were synthesised by reaction of the required stoichiometric amounts of LiOH H,,O, MnOz and either Mg(NO,), 6H,O, Zn(NO,), 2H,O or Al(NO,), . 9Hz0..., when the average manganese oxidation state is 3.5 (Table 1). The doped LiMn,_ dMd, hO4 spinels have an average manganese oxidation state greater than 3.5 with the specific value dependent on the doping level. These doped spinels can...

  10. Compositional Variation of Chrome Spinels in the Ore-bearing Zones of the Kraka Ophiolite and the Chromitite Origin

    OpenAIRE

    D. E. Saveliev; I. A. Blinov

    2017-01-01

    The article considers a chemical variation of accessory and ore-forming chrome spinels from the Kraka ultramafic massif at the different scales, from the deposit to the thin section. A correlation analysis of compositional and structural features of ultramafic rocks and ores was performed. The ultramafic rocks and chromitites in the studied massif show the distinct deformation structures and tectonite olivine fabric. A typical chemical gap (i.e. Cr#=Cr/(Cr+Al)) was observed between peridotite...

  11. The compressibility of cubic white and orthorhombic, rhombohedral, and simple cubic black phosphorus

    Energy Technology Data Exchange (ETDEWEB)

    Clark, Simon M; Zaug, Joseph

    2010-03-10

    The effect of pressure on the crystal structure of white phosphorus has been studied up to 22.4 GPa. The ?alpha phase was found to transform into the alpha' phase at 0.87 +- 0.04 GPa with a volume change of 0.1 +- 0.3 cc/mol. A fit of a second order Birch- Murnaghan equation to the data gave Vo = 16.94 ? 0.08 cc/mol and Ko = 6.7 +- 0.5 GPa for the alpha phase and Vo = 16.4 +- 0.1 cc/mol and Ko = 9.1 +- 0.3 GPa for the alpha' phase. The alpha' phase was found to transform to the A17 phase of black phosphorus at 2.68 +- 0.34 GPa and then with increasing pressure to the A7 and then simple cubic phase of black phosphorus. A fit of a second order Birch-Murnaghan equation to our data combined with previous measurements gave Vo = 11.43 +- 0.05 cc/mol and Ko = 34.7 +- 0.5 GPa for the A17 phase, Vo = 9.62 +- 0.01 cc/mol and Ko = 65.0 +- 0.6 GPa for the A7 phase and , Vo = 9.23 +- 0.01 cc/mol and Ko = 72.5 +- 0.3 GPa for the simple cubic phase.

  12. Structure and Magnetism of Nanocrystalline and Epitaxial (Mn,Zn,Fe)3O4

    Science.gov (United States)

    2012-01-01

    excitation. In particular, photomagnetism has been observed in a few spinel structure materials,2,3 including doped spinel structure ferrites and... ferrite films have been identified to exhibit photomagnetic effects at room temperature.7,8 Because optical sensitivity of spinel ferrites can be...and epitaxial (Mn,Zn,Fe)3O4 (MZFO) spinel thin films with their magnetic properties. X-ray diffraction (XRD) studies indicate that room temperature

  13. Oxidation Characteristics and Electrical Properties of Doped Mn-Co Spinel Reaction Layer for Solid Oxide Fuel Cell Metal Interconnects

    Directory of Open Access Journals (Sweden)

    Pingyi Guo

    2018-01-01

    Full Text Available To prevent Cr poisoning of the cathode and to retain high conductivity during solid oxide fuel cell (SOFC operation, Cu or La doped Co-Mn coatings on a metallic interconnect is deposited and followed by oxidation at 750 °C. Microstructure and composition of coatings after preparation and oxidation is analyzed by X-ray diffraction (XRD and scanning electron microscopy (SEM. High energy micro arc alloying process, a low cost technique, is used to prepare Cu or La doped Co-Mn coatings with the metallurgical bond. When coatings oxidized at 750 °C in air for 20 h and 100 h, Co3O4 is the main oxide on the surface of Co-38Mn-2La and Co-40Mn coatings, and (Co,Mn3O4 spinel continues to grow with extended oxidation time. The outmost scales of Co-33Mn-17Cu are mainly composed of cubic MnCo2O4 spinel with Mn2O3 after oxidation for 20 h and 100 h. The average thickness of oxide coatings is about 60–70 μm after oxidation for 100 h, except that Co-40Mn oxide coatings are a little thicker. Area-specific resistance of Cu/La doped Co-Mn coatings are lower than that of Co-40Mn coating. (Mn,Co3O4/MnCo2O4 spinel layer is efficient at blocking the outward diffusion of chromium and iron.

  14. Cubical sets as a classifying topos

    DEFF Research Database (Denmark)

    Spitters, Bas

    Coquand’s cubical set model for homotopy type theory provides the basis for a computational interpretation of the univalence axiom and some higher inductive types, as implemented in the cubical proof assistant. We show that the underlying cube category is the opposite of the Lawvere theory of De...... Morgan algebras. The topos of cubical sets itself classifies the theory of ‘free De Morgan algebras’. This provides us with a topos with an internal ‘interval’. Using this interval we construct a model of type theory following van den Berg and Garner. We are currently investigating the precise relation...

  15. Thermochemistry of Li1+xMn2-xO4 (0=spinel

    International Nuclear Information System (INIS)

    Wang Miaojun; Navrotsky, Alexandra

    2005-01-01

    Lithium substituted Li 1+x Mn 2-x O 4 spinel samples in the entire solid solution range (0= =0.25 are oxygen deficient. High-temperature oxide melt solution calorimetry in molten 3Na 2 O.4MoO 3 at 974K was performed to determine their enthalpies of formation from constituent binary oxides at 298K. The cubic lattice parameter was determined from least-squares fitting of powder XRD data. The variations of the enthalpy of formation from oxides and the lattice parameter with x follow similar trends. The enthalpy of formation from oxides becomes more exothermic with x for stoichiometric compounds (x =0.25). This energetic trend is related to two competing substitution mechanisms of lithium for manganese (oxidation of Mn 3+ to Mn 4+ versus formation of oxygen vacancies). For stoichiometric spinels, the oxidation of Mn 3+ to Mn 4+ is dominant, whereas for oxygen-deficient compounds both mechanisms are operative. The endothermic deviation is ascribed to the large endothermic enthalpy of reduction

  16. Biomechanical Analysis with Cubic Spline Functions

    Science.gov (United States)

    McLaughlin, Thomas M.; And Others

    1977-01-01

    Results of experimentation suggest that the cubic spline is a convenient and consistent method for providing an accurate description of displacement-time data and for obtaining the corresponding time derivatives. (MJB)

  17. Empirical constraints on partitioning of platinum group elements between Cr-spinel and primitive terrestrial magmas

    Science.gov (United States)

    Park, Jung-Woo; Kamenetsky, Vadim; Campbell, Ian; Park, Gyuseung; Hanski, Eero; Pushkarev, Evgeny

    2017-11-01

    Recent experimental studies and in situ LA-ICP-MS analysis on natural Cr-spinel have shown that Rh and IPGEs (Ir-group platinum group elements: Ru, Ir, Os) are enriched in the lattice of Cr-spinel. However, the factors controlling the partitioning behaviour of these elements are not well constrained. In this study, we report the Rh, IPGE, and trace element contents in primitive Cr-spinel, measured by LA-ICP-MS, from nine volcanic suites covering various tectonic settings including island arc picrites, boninites, large igneous province picrites and mid-ocean ridge basalts. The aim is to understand the factors controlling the enrichment of Rh and IPGEs in Cr-spinels, to estimate empirical partition coefficients between Cr-spinel and silicate melts, and to investigate the role of Cr-spinel fractional crystallization on the PGE geochemistry of primitive magmas during the early stages of fractional crystallization. There are systematic differences in trace elements, Rh and IPGEs in Cr-spinels from arc-related magmas (Arc Group Cr-spinel), intraplate magmas (Intraplate Group Cr-spinel), and mid-ocean ridge magmas (MORB Group Cr-spinel). Arc Group Cr-spinels are systematically enriched in Sc, Co and Mn and depleted in Ni compared to the MORB Group Cr-spinels. Intraplate Group Cr-spinels are distinguished from the Arc Group Cr-spinels by their high Ni contents. Both the Arc and Intraplate Group Cr-spinels have total Rh and IPGE contents of 22-689 ppb whereas the MORB Group Cr-spinels are depleted in Rh and IPGE (total controlled by a combination of the Rh and IPGE contents in parental melts and the magnetite component of the spinel. Empirical partition coefficients (D) for Rh and IPGEs between Cr-spinels and silicate melts were calculated using the Rh and IPGE contents of the Cr-spinel and their host volcanic rocks after subtracting the accumulation effect of Cr-spinel. The D values for the Intraplate and MORB Group Cr-spinels increase with increasing magnetite component

  18. Physics and Technology of Transparent Ceramic Armor: Sintered Al2O3 vs Cubic Materials

    National Research Council Canada - National Science Library

    Krell, Andreas; Hutzler, Thomas; Klimke, Jens

    2006-01-01

    Sintered sub-micrometer alumina (alpha-Al2O3) is the hardest transparent armor. However, its trigonal structure gives rise to a strong thickness effect that makes thicker components translucent. Cubic ceramics (no birefringence...

  19. Synthesis and magnetic properties of tin spinel ferrites doped manganese

    Energy Technology Data Exchange (ETDEWEB)

    El Moussaoui, H., E-mail: elmoussaoui.hassan@gmail.com [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Mahfoud, T.; Habouti, S. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); El Maalam, K.; Ben Ali, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Laboratoire of Magnetism and the Physics of the high Energies, URAC 12, Departement of physique, B.P. 1014, Faculty of science, Mohammed V University, Rabat (Morocco); Hamedoun, M.; Mounkachi, O. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Masrour, R. [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, Route Sidi Bouzid – BP 63, 46000 Safi (Morocco); Hlil, E.K. [Institut Néel, CNRS-UJF, B.P. 166, 38042 Grenoble Cedex (France); Benyoussef, A. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Laboratoire of Magnetism and the Physics of the high Energies, URAC 12, Departement of physique, B.P. 1014, Faculty of science, Mohammed V University, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco)

    2016-05-01

    In this work we report the synthesis, the microstructural characterization and the magnetic properties of tin spinel ferrites doped manganese (Sn{sub 1−x}Mn{sub x}Fe{sub 2}O{sub 4} with x=0.25, 0.5, 0.75, and 1) nanoparticles prepared by co-precipitation method. The effect of annealing temperature on the structure, morphology and magnetic properties of Sn{sub 0.5}Mn{sub 0.5}Fe{sub 2}O{sub 4} has been investigated. The synthesized nanoparticle sizes have been controlled between 4 and 9 nm, with uniform spherical morphology as confirmed by transmission electron microscopy (TEM). All the samples prepared possess single domain magnetic. The nanoparticles of Sn{sub 0.5}Mn{sub 0.5}Fe{sub 2}O{sub 4} with 4 nm in diameter have a blocking temperature close to 100 K. In addition, the cation distribution obtained from the X-ray diffraction of this sample was confirmed by magnetic measurement. For the Sn{sub 1−x}Mn{sub x}Fe{sub 2}O{sub 4}; (0≤x≤1) samples, the magnetization and coercive fields increase when the augmentation of Mn content increases. For x=0.5, such parameters decrease when the calcination temperature increases. - Highlights: • We have studied the microstructural and the magnetic properties of Sn{sub 1-x}MnxFe{sub 2}O{sub 4}. • The nanoparticles of Sn{sub 0.5}Mn{sub 0.5}Fe{sub 2}O{sub 4} have a blocking temperature around 100 K. • The Ms and Hc increase with the augmentation of Mn content.

  20. Cubic crystal protein inclusions in the neodermis of the pancreatic fluke, Eurytrema pancreaticum, and Eurytrema coelomaticum.

    Science.gov (United States)

    Sakamoto, Tsukasa; Oikawa, Tetsuo

    2007-10-01

    Light microscopy of Eurytrema pancreaticum and Eurytrema coelomaticum collected from cattle in Japan, China, Thailand, and Brazil showed many cubic crystal inclusions in the neodermis (tegument) of all flukes. The crystal inclusions were histochemically positive for protein. Scanning electron microscopy showed many cubic protrusions containing cubic crystal protein inclusions on the surface of the neodermis. Transmission electron microscopy showed that cubic crystal protein inclusions appeared in the perikarya of subtegumental parts, passed through the cytoplasmic bridge, moved into the syncytial neodermal cytoplasm, and then protruded from, and finally separated from, the neodermal cytoplasm. Cubic crystal protein inclusions were hexahedral with each side 2-18 microm long. High-resolution microscopy of ultrathin sections of crystal inclusions showed a lattice fringe at spacings of about 0.52 nm by using a filtering processing. Diffractograms were obtained by Fourier transform of the images. The lattice structure of the crystal protein inclusions was shown by inverse Fourier transform, indicating that the cubic crystal protein inclusions were single crystals. Sodium dodecyl sulfate-polyacrylamide gel electrophoresis estimated the molecular weight of protein in the cubic crystal inclusion as 36.6 kDa. Energy-dispersive X-ray spectroscopy proved that the cubic crystal protein inclusions were composed of protein and sulfur.

  1. Flexible regression models with cubic splines.

    Science.gov (United States)

    Durrleman, S; Simon, R

    1989-05-01

    We describe the use of cubic splines in regression models to represent the relationship between the response variable and a vector of covariates. This simple method can help prevent the problems that result from inappropriate linearity assumptions. We compare restricted cubic spline regression to non-parametric procedures for characterizing the relationship between age and survival in the Stanford Heart Transplant data. We also provide an illustrative example in cancer therapeutics.

  2. Orientational anharmonicity of interatomic interaction in cubic monocrystals

    International Nuclear Information System (INIS)

    Belomestnykh, Vladimir N.; Tesleva, Elena P.

    2010-01-01

    Anharmonicity of interatomic interaction from a position of physical acoustics under the standard conditions is investigated. It is shown that the measure of anharmonicity of interatomic interaction (Grilneisen parameter) is explicitly expressed through velocities of sound. Calculation results of orientation anharmonicity are shown on the example of 116 cubic monocrystals with different lattice structural type and type of chemical bond. Two types of anharmonicity interatomic interaction anisotropy are determined. Keywords: acoustics, orientational anharmonicity, Gruneisen parameter, velocity of sound

  3. Synthesis and Optical Properties of Cubic Gold Nanoframes

    OpenAIRE

    Au, Leslie; Chen, Yeechi; Zhou, Fei; Camargo, Pedro H. C.; Lim, Byungkwon; Li, Zhi-Yuan; Ginger, David S.; Xia, Younan

    2008-01-01

    This paper describes a facile method of preparing cubic Au nanoframes with open structures via the galvanic replacement reaction between Ag nanocubes and AuCl2−. A mechanistic study of the reaction revealed that the formation of Au nanoframes relies on the diffusion of both Au and Ag atoms. The effect of the edge length and ridge thickness of the nanoframes on the localized surface plasmon resonance peak was explored by a combination of discrete dipole approximation calculations and single na...

  4. Cubic Splines for Trachea and Bronchial Tubes Grid Generation

    Directory of Open Access Journals (Sweden)

    Eliandro Rodrigues Cirilo

    2006-02-01

    Full Text Available Grid generation plays an important role in the development of efficient numerical techniques for solving complex flows. Therefore, the present work develops a method for bidimensional blocks structured grid generation for geometries such as the trachea and bronchial tubes. A set of 55 blocks completes the geometry, whose contours are defined by cubic splines. Besides, this technique build on early ones because of its simplicity and efficiency in terms of very complex geometry grid generation.

  5. Sodium storage capability of spinel Li4Mn5O12

    International Nuclear Information System (INIS)

    Zhang, Jiaolong; Wang, Wenhui; Li, Yingshun; Yu, Denis Y.W.

    2015-01-01

    Highlights: • Electrochemical behavior of spinel Li 4 Mn 5 O 12 is examined in Na-ion battery. • A capacity of 120.7 mAh g −1 is obtained during the first sodiation process. • Na storage performance is found to be strongly dependent on particle size. • Ion-exchange between Li ions and Na ions occurs in Li 4 Mn 5 O 12 structure upon cycling. • Loss of crystallinity with cycling, leading to capacity fading. - Abstract: Spinel Li 4 Mn 5 O 12 , a well-known 3 V Li-ion battery (LIB) material with excellent cycling stability and good rate capability, is examined as Na-ion battery (NIB) cathode for the first time. Electrochemical studies clearly show that Na ions can be reversibly inserted into and extracted from the three-dimensional spinel structure. However, unlike in LIB, the available capacity in NIB is strongly dependent on the particle size and current rate due to the sluggish Na-ion transport in solid phase. Cycle performance of Li 4 Mn 5 O 12 in NIB is also inferior to that in LIB. Ex-situ X-ray diffraction study indicates a gradual loss of crystallinity with cycling, and that the crystal lattice undergoes an irreversible expansion during the initial 20 cycles. Inductively coupled plasma spectroscopy shows a decrease of Li/Mn ratio in Li 4 Mn 5 O 12 with cycling. The results suggest that Li ions are removed from the material during the charging process. The charge-discharge mechanism is also discussed in the paper.

  6. Nanocrystalline spinel ferrites by solid state reaction route

    Indian Academy of Sciences (India)

    Wintec

    Nanocrystalline spinel ferrites by solid state reaction route. T K KUNDU* and S MISHRA. Department of Physics, Visva-Bharati, Santiniketan 731 235, India. Abstract. Nanostructured NiFe2O4, MnFe2O4 and (NiZn)Fe2O4 were synthesized by aliovalent ion doping using conventional solid-state reaction route. With the ...

  7. Identification of Spinel Iron Oxide Nanoparticles by 57Fe NMR

    Directory of Open Access Journals (Sweden)

    SangGap Lee

    2011-12-01

    Full Text Available We have synthesized and studied monodisperse iron oxide nanoparticles of smaller than 10 nm to identify between the two spinel phases, magnetite and maghemite. It is shown that 57Fe NMR spectroscopy is a promising tool for distinguishing between the two phases.

  8. Development and characterization of nickel–zinc spinel ferrite for ...

    Indian Academy of Sciences (India)

    This paper deals with the development and characterization of nickel–zinc spinel ferrite (Ni(1–) ZnFe2O4) for microwave absorption at 2.4 GHz (ISM band). The ferrite powder was prepared by dry attrition and sintering process. Complex permittivity and permeability of the prepared sample have been determined by ...

  9. Development and characterization of nickel–zinc spinel ferrite for ...

    Indian Academy of Sciences (India)

    Wintec

    Development and characterization of nickel–zinc spinel ferrite. 769. Figure 6. (a) Imaginary (εr) vs frequency, (b) real (εr) vs frequency, (c) |εr| vs frequency, (d) imaginary (μr) vs frequency, (e) real (μr) vs frequency and (f) |μr| vs frequency. Table 1. Ferrimagnetic resonance fre- quency for various values of δ. δ. Measured fr ...

  10. Ab-initio electronic structure calculations and properties of [Si{sub x}Sn{sub 1−x}]{sub 3}N{sub 4} ternary nitrides

    Energy Technology Data Exchange (ETDEWEB)

    Pavloudis, Th. [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Zervos, M. [Nanostructured Materials and Devices Laboratory, Department of Mechanical and Manufacturing Engineering, PO Box 20537, Nicosia 1678 (Cyprus); Komninou, Ph. [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Kioseoglou, J., E-mail: sifisl@auth.gr [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece)

    2016-08-31

    We carry out ab initio electronic structure calculations of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} using density functional theory with projector augmented-wave potentials under the generalized gradient approximation. We find that the energetically favorable structure of Sn{sub 3}N{sub 4} is the face-centered cubic spinel structure, followed by the hexagonal structure which has energy band gaps of 1.85 eV and 1.44 eV respectively. The (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} ternary compound can exhibit both cubic and hexagonal crystal structures over the full range of x. However, the cubic structure is found to be energetically favorable for x < 0.3 above which the hexagonal structure of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} dominates. The energy band gap can be tuned continuously from 1.44 eV up to 5.8 eV in the case of the hexagonal crystal structure of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} and from 1.85 eV to 4.82 eV in the case of cubic (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4}. Nevertheless the energy gap of (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} is direct only for x < 0.3 when it is cubic and for x < 0.5 when hexagonal. - Highlights: • (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} exhibits both cubic and hexagonal crystal structures. • The cubic structure is favorable for x < 0.3 and the hexagonal structure for x > 0.3. • The bandgap of hexagonal (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4} may be tuned from 1.44 eV up to 5.8 eV. • The bandgap may be tuned from 1.85 eV to 4.82 eV for the cubic (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4}. • Bandgaps are direct for x < 0.3 (cubic) and for x < 0.5 3 (hexagonal (Si{sub x}Sn{sub 1−x}){sub 3}N{sub 4}).

  11. How Rich is Rich? Placing Constraints on the Abundance of Spinel in the Pink Spinel Anorthosite Lithology on the Moon Through Space Weathering

    Science.gov (United States)

    Gross, J.; Gillis-Davis, J.; Isaacson, P. J.; Le, L.

    2015-01-01

    previously unknown lunar rock was recently recognized in the Moon Mineralogy Mapper (M(sup 3)) visible to near-infrared (VNIR) reflectance spectra. The rock type is rich in Mg-Al spinel (approximately 30%) and plagioclase and contains less than 5% mafic silicate minerals (olivine and pyroxene). The identification of this pink spinel anorthosite (PSA) at the Moscoviense basin has sparked new interest in lunar spinel. Pieters et al. suggested that these PSA deposits might be an important component of the lunar crust. However, Mg-Al spinel is rare in the Apollo and meteorite sample collections (only up to a few wt%), and occurs mostly in troctolites and troctolitic cataclastites. In this study, we are conducting a series of experiments (petrologic and space weathering) to investigate whether deposits of spinel identified by remote sensing are in high concentration (e.g. 30%) or whether the concentrations of spinel in these deposits are more like lunar samples, which contain only a few wt%. To examine the possibility of an impact-melt origin for PSA, conducted 1-bar crystallization experiments on rock compositions similar to pink spinel troctolite 65785. The VNIR spectral reflectance analyses of the low-temperature experiments yield absorption features similar to those of the PSA lithology detected at Moscoviense Basin. The experimental run products at these temperatures contain approximately 5 wt% spinel, which suggests that the spinel-rich deposits detected by M(sup 3) might not be as spinel-rich as previously thought. However, the effect of space weathering on spinel is unknown and could significantly alter its spectral properties including potential weakening of its diagnostic 2-micrometers absorption feature. Thus, weathered lunar rocks could contain more spinel than a comparison with the unweathered experimental charges would suggest. In this study, we have initiated space weathering experiments on 1) pure pink spinel, 2) spinel-anorthite mixtures, and 3) the low

  12. Study of structural and magnetic properties of (Co–Cu)Fe{sub 2}O{sub 4}/PANI composites

    Energy Technology Data Exchange (ETDEWEB)

    Hashim, Mohd., E-mail: md.hashim09@gmail.com [Department of Applied Physics, Aligarh Muslim University, Aligarh 202 002 (India); Alimuddin [Department of Applied Physics, Aligarh Muslim University, Aligarh 202 002 (India); Shirsath, Sagar E. [Spin Device Technology Centre, Department of Information Engineering, Shinshu University, Nagano 380-8553 (Japan); Meena, S.S. [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Kotnala, R.K. [National Physical Laboratory (CSIR), Dr. K.S. Krishnan Road, New Delhi 110 012 (India); Kumar, Shalendra [Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Bhatt, Pramod [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Jotania, R.B. [Department of Physics, School of Science, Gujarat University, Ahmedabad 380 009 (India); Kumar, Ravi [Centre for Material Science Engineering, National Institute of Technology, Hamirpur 171 005, HP (India)

    2013-08-15

    The nanocomposites of the polyaniline and Co{sub 1−x}Cu{sub x}Fe{sub 2}O{sub 4} (PANI/CoCuFe) were prepared by in-situ oxidative polymerization of aniline. Prepared nanocomposites samples were characterized by using various experimental techniques like X-ray diffraction (XRD), Fourier transformed infrared spectroscopy (FT-IR), field emission scanning electron microscope (FE-SEM), vibrating sample magnetometer (VSM), Mössbauer spectroscopy and ultraviolet–visible spectrophotometry (UV–VIS). The elemental analysis as obtained from the energy dispersive X-ray spectroscopy (EDAX) measurement is in close agreement with the expected composition from the stoichiometry of the reactant solutions. XRD result confirms that all the samples have the single phase cubic spinel structure. Unit cell parameter ‘a’ is found to decrease with the increase in copper ion substitution. The crystallite size was investigated by using the Debye–Scherer formula and it was found in the range of ∼28–37 nm. FE-SEM confirmed the homogeneous and well defined surface morphology of the synthesized samples. FT-IR study showed the main absorption bands corresponding to the spinel structure those arose due to the tetrahedral and octahedral stretching vibrations. Cation distribution was estimated using XRD data. Hysteresis measurements revealed that the saturation magnetization decreased with increase in Cu{sup 2+} substitution. Magnetic environment of {sup 57}Fe in Cu-doped cobalt ferrite was investigated by using Mössbauer spectroscopy. Mössbauer study evidenced the ferrimagnetic behavior of the synthesized samples. - Highlights: • Crystallite size decreases with increasing Cu{sup 2+} substitution. • The prepared samples show the formation of single phase cubic spinel structure. • Cation distribution shows that Cu and Co ions shows strong preference toward octahedral B site. • Magnetization decreases with increasing Cu{sup 2+} substitution. • Mössbauer study shows

  13. Electron spin transition causing structure transformations of earth's interiors under high pressure

    Science.gov (United States)

    Yamanaka, T.; Kyono, A.; Kharlamova, S.; Alp, E.; Bi, W.; Mao, H.

    2012-12-01

    To elucidate the correlation between structure transitions and spin state is one of the crucial problems for understanding the geophysical properties of earth interiors under high pressure. High-pressure studies of iron bearing spinels attract extensive attention in order to understand strong electronic correlation such as the charge transfer, electron hopping, electron high-low spin transition, Jahn-Teller distortion and charge disproponation in the lower mantle or subduction zone [1]. Experiment Structure transitions of Fe3-xSixO4, Fe3-xTixO4 Fe3-xCrxO4 spinel solid solution have been investigated at high pressure up to 60 GPa by single crystal and powder diffraction studies using synchrotron radiation with diamond anvil cell. X-ray emission experiment (XES) at high pressure proved the spin transition of Fe-Kβ from high spin (HS) to intermediate spin state (IS) or low spin state (LS). Mössbauer experiment and Raman spectra study have been also conducted for deformation analysis of Fe site and confirmation of the configuration change of Fe atoms. Jahn-Teller effect A cubic-to-tetragonal transition under pressure was induced by Jahn-Teller effect of IVFe2+ (3d6) in the tetrahedral site of Fe2TiO4 and FeCr2O4, providing the transformation from 43m (Td) to 42m (D2d). Tetragonal phase is formed by the degeneracy of e orbital of Fe2+ ion. Their c/a ratios are c/adisordered in the M2 site. At pressures above 53 GPa, Fe2TiO4 structure further transforms to Pmma. This structure change results in the order-disorder transition [2]. New structure of Fe2SiO4 The spin transition exerts an influence to Fe2SiO4 spinel structure and triggers two distinct curves of the lattice constant in the spinel phase. The reversible structure transition from cubic to pseudo-rhombohedral phase was observed at about 45 GPa. This transition is induced by the 20% shrinkage of ionic radius of VIFe2+at the low sin state. Laser heating experiment at 1500 K has confirmed the decomposition from the

  14. Synthesis and characterization of Li{sub 2}ZnTi{sub 3}O{sub 8} spinel using the modified polymeric precursor method

    Energy Technology Data Exchange (ETDEWEB)

    Camara, M.S.C.; Lisboa-Filho, P.N.; Cabrelon, M.D.; Gama, L.; Ortiz, W.A.; Paiva-Santos, C.O.; Leite, E.R.; Longo, E

    2003-09-28

    In this work we report the synthesis procedure, crystallographic, structural and magnetic properties of the Li{sub 2}ZnTi{sub 3}O{sub 8} spinel obtained using a modified polymeric precursor method. This synthesis method generates very reactive and property-controlled nanoparticles. The samples were characterized using X-ray powder diffraction (XRD) associated to the Rietveld refinement method, thermogravimetric analysis (TG), specific surface area, scanning electron microscopy (SEM) and magnetic susceptibility measurements. The phase formation temperature of the lithium zinc titanate spinel was observed to decrease due to the homogeneity and highly controlled nanometric particle size.

  15. Impact of grain size and structural changes on magnetic, dielectric, electrical, impedance and modulus spectroscopic characteristics of CoFe2O4 nanoparticles synthesized by honey mediated sol-gel combustion method

    Science.gov (United States)

    Singh Yadav, Raghvendra; Kuřitka, Ivo; Vilcakova, Jarmila; Havlica, Jaromir; Masilko, Jiri; Kalina, Lukas; Tkacz, Jakub; Švec, Jiří; Enev, Vojtěch; Hajdúchová, Miroslava

    2017-12-01

    In this work CoFe2O4 spinel ferrite nanoparticles were synthesized by honey mediated sol-gel combustion method and further annealed at higher temperature 500 °C, 700 °C, 900 °C and 1100 °C. The synthesized spinel ferrite nanoparticles is investigated by x-ray diffraction, Raman spectroscopy, Fourier transform infrared (FTIR) spectroscopy, thermogravimetric analysis/differential scanning calorimetry (TGA/DSC), field emission scanning electron microscopy, x-ray photoelectron spectroscopy and vibrating sample magnetometer. The x-ray diffraction study reveals face-centered cubic spinel cobalt ferrite crystal phase formation. The crystallite size and lattice parameter are increased with annealing temperature. Raman and Fourier transform infrared spectra also confirm spinel ferrite crystal structure of synthesized nanoparticles. The existence of cation at octahedral and tetrahedral site in cobalt ferrite nanoparticles is confirmed by x-ray photoelectron spectroscopy. Magnetic measurement shows increased saturation magnetization 74.4 emu g-1 at higher annealing temperature 1100 °C, high coercivity 1347.3 Oe at lower annealing temperature 500 °C, and high remanent magnetization 32.3 emu g-1 at 900 °C annealing temperature. The magnetic properties of synthesized ferrite nanoparticles can be tuned by adjusting sizes through annealing temperature. Furthermore, the dielectric constant and ac conductivity shows variation with frequency (1-107 Hz), grain size and cation redistribution. The modulus spectroscopy study reveals the role of bulk grain and grain boundary towards the resistance and capacitance. The cole-cole plots in modulus formalism also well support the electrical response of nanoparticles originated from both grain and grain boundaries. The dielectric, electrical, magnetic, impedance and modulus spectroscopic characteristics of synthesized CoFe2O4 spinel ferrite nanoparticles demonstrate the applicability of these nanoparticles for magnetic recording, memory

  16. Magnetic and catalytic properties of inverse spinel CuFe{sub 2}O{sub 4} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Anandan, S., E-mail: sanand@nitt.edu [Nanomaterials and Solar Energy Conversion Lab, Department of Chemistry, National Institute of Technology, Trichy 620 015 (India); Department of Environmental Engineering and Science, Feng Chia University, Taichung 407, Taiwan (China); Selvamani, T.; Prasad, G. Guru [Nanomaterials and Solar Energy Conversion Lab, Department of Chemistry, National Institute of Technology, Trichy 620 015 (India); Asiri, A.M. [The Center of Excellence for Advanced Materials Research, King Abdulaziz University, P.O. Box 80203, Jeddah 21413 (Saudi Arabia); Wu, J.J., E-mail: jjwu@fcu.edu.tw [Department of Environmental Engineering and Science, Feng Chia University, Taichung 407, Taiwan (China)

    2017-06-15

    Highlights: • Copper ferrite (CuFe{sub 2}O{sub 4}) nanoparticles were synthesized via citrate-nitrate combustion method. • Spectroscopic information’s have found that CuFe{sub 2}O{sub 4} nanoparticles as an inverse spinel structure. • Magnetic study exhibits CuFe{sub 2}O{sub 4} nanoparticles have ferromagnetic behavior. • CuFe{sub 2}O{sub 4} nanoparticles employed for photocatalytic decolourisation of methylene blue under visible light irradiation. - Abstract: In this research, inverse spinel copper ferrite nanoparticles (CuFe{sub 2}O{sub 4} NPs) were synthesized via citrate-nitrate combustion method. The crystal structure, particle size, morphology and magnetic studies were investigated using various instrumental tools to illustrate the formation of the inverse spinel structure. Mossbauer spectrometry identified Fe is located both in the tetrahedral and octahedral site in the ratio (40:60) and the observed magnetic parameters values such as saturation magnetization (M{sub s} = 20.62 emu g{sup −1}), remnant magnetization (M{sub r} = 11.66 emu g{sup −1}) and coercivity (H{sub c} = 63.1 mTesla) revealed that the synthesized CuFe{sub 2}O{sub 4} NPs have a typical ferromagnetic behaviour. Also tested CuFe{sub 2}O{sub 4} nanoparticles as a photocatalyst for the decolourisation of methylene blue (MB) in the presence of peroxydisulphate as the oxidant.

  17. Data reduction using cubic rational B-splines

    Science.gov (United States)

    Chou, Jin J.; Piegl, Les A.

    1992-01-01

    A geometric method is proposed for fitting rational cubic B-spline curves to data that represent smooth curves including intersection or silhouette lines. The algorithm is based on the convex hull and the variation diminishing properties of Bezier/B-spline curves. The algorithm has the following structure: it tries to fit one Bezier segment to the entire data set and if it is impossible it subdivides the data set and reconsiders the subset. After accepting the subset the algorithm tries to find the longest run of points within a tolerance and then approximates this set with a Bezier cubic segment. The algorithm uses this procedure repeatedly to the rest of the data points until all points are fitted. It is concluded that the algorithm delivers fitting curves which approximate the data with high accuracy even in cases with large tolerances.

  18. Preparation of composite with silica-coated nanoparticles of iron oxide spinels for applications based on magnetically induced hyperthermia

    Energy Technology Data Exchange (ETDEWEB)

    Andrade, Angela L. [Federal University of Ouro Preto (UFOP), Department of Chemistry (Brazil); Fabris, Jose D., E-mail: jdfabris@ufmg.br [Federal University of Jequitinhonha and Mucuri Valleys (UFVJM) (Brazil); Pereira, Marcio C. [Federal University of Jequitinhonha and Mucuri Valleys (UFVJM), Institute of Science, Engineering and Technology (Brazil); Domingues, Rosana Z. [Federal University of Minas Gerais (UFMG), Department of Chemistry (Brazil); Ardisson, Jose D. [Development Center of Nuclear Technology (CNEN/CDTN), Laboratory of Applied Physics (Brazil)

    2013-04-15

    It is reported a novel method to prepare magnetic core (iron oxide spinels)-shell (silica) composites containing well-dispersed magnetic nanoparticles in aqueous solution. The synthetic process consists of two steps. In a first step, iron oxide nanoparticles obtained through co-precipitation are dispersed in an aqueous solution containing tetramethylammonium hydroxide; in a second step, particles of this sample are coated with silica, through hydrolyzation of tetraethyl orthosilicate. The intrinsic atomic structure and essential properties of the core-shell system were assessed with powder X-ray diffraction, Fourier transform infrared spectrometry, Moessbauer spectroscopy and transmission electron microscopy. The heat released by this ferrofluid under an AC-generated magnetic field was evaluated by following the temperature evolution under increasing magnetic field strengths. Results strongly indicate that this ferrofluid based on silica-coated iron oxide spinels is technologically a very promising material to be used in medical practices, in oncology.

  19. Degenerations of cubic fourfolds and holomorphic symplectic geometry

    NARCIS (Netherlands)

    van den Dries, B.

    2012-01-01

    In this thesis we study deformations of varieties of lines on smooth cubic hypersurfaces of the 5-dimensional complex projective space. These cubic hypersurfaces are also called cubic fourfolds. Beauville and Donagi proved that the line variety of any cubic fourfold is a polarized holomorphic

  20. Bicontinuous cubic liquid crystals as sustained delivery systems for peptides and proteins.

    Science.gov (United States)

    Rizwan, Shakila B; Boyd, Ben J; Rades, Thomas; Hook, Sarah

    2010-10-01

    Self-assembling lipid-based liquid crystalline systems are a broad and active area of research. Of these mesophases, the cubic phase with its highly twisted bilayer and two non-intersecting water channels has been investigated extensively for drug delivery. The cubic phase has been shown to accommodate and control the release of drugs with varying physicochemical properties. Also, the lipids used to prepare these delivery systems are generally cheap, safe and biodegradable, making these systems highly attractive. Early research investigating the potential of cubic phases as delivery systems showed that several peptides or proteins entrapped within these gel-based systems showed retarded release. Furthermore, entrapment within the cubic phase protected the selected peptide or protein from chemical and physical degradation with its native confirmation and bioactivity retained. In this review, the literature pertaining to the delivery of various bioactives from cubic liquid crystalline phases is examined, with a particular focus on peptides and proteins. The scope and limitations of the cubic phases in this respect and the future of cubic liquid crystalline systems as sustained delivery systems are highlighted. The reader will be able to gain an understanding of the properties of the bicontinuous cubic phase and how its structural attributes make these systems desirable for sustained delivery of bioactives, in particular peptides and proteins, but also how these same structural properties have hindered progress towards clinical applications. Current strategies to overcome these issues will also be discussed. The bicontinuous cubic phase offers great potential in the field of peptide and protein delivery, but limited research in this area precludes definite conclusions to its future in this respect.

  1. Characterization of Li4Ti5O12 and LiMn2O4 spinel materials treated with aqueous acidic solutions

    NARCIS (Netherlands)

    Simon, D.R.

    2007-01-01

    In this thesis an investigation of two spinel materials, Li4Ti5O12 and LiMn2O4 used for Li-ion battery applications is performed interms of formation and reactivity towards acidic solutions. Subsequent characterizations such as structural, magnetic, chemical, and electrochemical characterizations

  2. Cubic membranes: a legend beyond the Flatland* of cell membrane organization.

    Science.gov (United States)

    Almsherqi, Zakaria A; Kohlwein, Sepp D; Deng, Yuru

    2006-06-19

    Cubic membranes represent highly curved, three-dimensional nanoperiodic structures that correspond to mathematically well defined triply periodic minimal surfaces. Although they have been observed in numerous cell types and under different conditions, particularly in stressed, diseased, or virally infected cells, knowledge about the formation and function of nonlamellar, cubic structures in biological systems is scarce, and research so far is restricted to the descriptive level. We show that the "organized smooth endoplasmic reticulum" (OSER; Snapp, E.L., R.S. Hegde, M. Francolini, F. Lombardo, S. Colombo, E. Pedrazzini, N. Borgese, and J. Lippincott-Schwartz. 2003. J. Cell Biol. 163:257-269), which is formed in response to elevated levels of specific membrane-resident proteins, is actually the two-dimensional representation of two subtypes of cubic membrane morphology. Controlled OSER induction may thus provide, for the first time, a valuable tool to study cubic membrane formation and function at the molecular level.

  3. Synthesis and Optical Properties of Cubic Gold Nanoframes.

    Science.gov (United States)

    Au, Leslie; Chen, Yeechi; Zhou, Fei; Camargo, Pedro H C; Lim, Byungkwon; Li, Zhi-Yuan; Ginger, David S; Xia, Younan

    2008-12-01

    This paper describes a facile method of preparing cubic Au nanoframes with open structures via the galvanic replacement reaction between Ag nanocubes and AuCl(2) (-). A mechanistic study of the reaction revealed that the formation of Au nanoframes relies on the diffusion of both Au and Ag atoms. The effect of the edge length and ridge thickness of the nanoframes on the localized surface plasmon resonance peak was explored by a combination of discrete dipole approximation calculations and single nanoparticle spectroscopy. With their hollow and open structures, the Au nanoframes represent a novel class of substrates for applications including surface plasmonics and surface-enhanced Raman scattering.

  4. Purely cubic action for string field theory

    Science.gov (United States)

    Horowitz, G. T.; Lykken, J.; Rohm, R.; Strominger, A.

    1986-01-01

    It is shown that Witten's (1986) open-bosonic-string field-theory action and a closed-string analog can be written as a purely cubic interaction term. The conventional form of the action arises by expansion around particular solutions of the classical equations of motion. The explicit background dependence of the conventional action via the Becchi-Rouet-Stora-Tyutin operator is eliminated in the cubic formulation. A closed-form expression is found for the full nonlinear gauge-transformation law.

  5. Origin of the low compressibility in hard nitride spinels

    DEFF Research Database (Denmark)

    Mori-Sánchez, P.; Marqués, M.; Beltrán, A.

    2003-01-01

    A microscopic investigation of first-principles electron densities of gamma-A(3)N(4) (A:C,Si,Ge) spinels reveals a clear relationship between the compressibility and the chemical bonding of these materials. Three striking findings emanate from this analysis: (i) the chemical graph is governed...... by a network of highly directional strong bonds with covalent character in gamma-C3N4 and different degrees of ionic polarization in gamma-Si3N4 and gamma-Ge3N4, (ii) nitrogen is the lowest compressible atom controlling the trend in the bulk modulus of the solids, and (iii) the group-IV counterions show strong...... site dependent compressibilities enhancing the difficulty in the synthesis of the spinel phases of these nitrides....

  6. Chemisorption of cyanogen chloride by spinel ferrite magnetic nanoparticles.

    Science.gov (United States)

    Glover, T Grant; DeCoste, Jared B; Sabo, Daniel; Zhang, Z John

    2013-05-07

    Spinel ferrite magnetic nanoparticles, MnFe2O4, NiFe2O4, and CoFe2O4, were synthesized and used as gas-phase adsorbents for the removal of cyanogen chloride from dry air. Fixed-bed adsorption breakthrough experiments show adsorption wave behavior at the leading edge of the breakthrough curve that is not typical of physically adsorbed species. Fourier transform infrared spectroscopy (FTIR) results indicate that CK is reacting with the spinel ferrite surface and forming a carbamate species. The reaction is shown to be a function of the hydroxyl groups and adsorbed water on the surface of the particles as well as the metallic composition of the particles. The surface reaction decreases the remnant and saturation magnetism of the MnFe2O4 and CoFe2O4 particles by approximately 25%.

  7. Bare and boron-doped cubic silicon carbide nanowires for electrochemical detection of nitrite sensitively

    OpenAIRE

    Tao Yang; Liqin Zhang; Xinmei Hou; Junhong Chen; Kuo-Chih Chou

    2016-01-01

    Fabrication of eletrochemical sensors based on wide bandgap compound semiconductors has attracted increasing interest in recent years. Here we report for the first time electrochemical nitrite sensors based on cubic silicon carbide (SiC) nanowires (NWs) with smooth surface and boron-doped cubic SiC NWs with fin-like structure. Multiple techniques including scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS...

  8. Synthesis and magnetic properties of Zn Spinel ceramics

    Czech Academy of Sciences Publication Activity Database

    Huber, Š.; Sofer, Z.; Nádherný, L.; Jankovský, O.; Šimek, P.; Sedmidubský, D.; Maryško, Miroslav

    2013-01-01

    Roč. 57, č. 2 (2013), s. 162-166 ISSN 0862-5468 R&D Projects: GA ČR GA13-17538S; GA MŠk(CZ) 7AMB12FR019 Institutional support: RVO:68378271 Keywords : Zn spinel * synthesis * magnetic properties * antiferromagnet * bulk ZnO Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.434, year: 2013

  9. Growth Kinetics of Magnesio-Aluminate Spinel in Al/Mg Lamellar Composite Interface

    Science.gov (United States)

    Fouad, Yasser; Rabeeh, Bakr Mohamed

    The synthesis of Mg-Al2O3 double layered interface is introduced via the application of hot isostatic pressing, HIPing, in Al-Mg foils. Polycrystalline spinel layers are grown experimentally at the interfacial contacts between Al-Mg foils. The growth behavior of the spinel layers along with the kinetic parameters characterizing interface motion and long-range diffusion is established. Low melting depressant (LMD), Zn, and alloying element segregation tends to form micro laminated and/or Nano structure interphase in a lamellar composite solid state processing. Nano composite ceramic interphase materials offer interesting mechanical properties not achievable in other materials, such as superplastic flow and metal-like machinability. Microstructural characterization, mechanical characterization is also established via optical microscopy scanning electron microscopy, energy dispersive X-ray spectroscopy and tensile testing. Chemical and mechanical bonding via inter diffusion processing with alloy segregation are dominant for interphase kinetics. Mechanical characterization with interfacial shear strength is also introduced. HIPing processing is successfully applied on 6082 Al-alloy and AZ31 magnesium alloy for either particulate or micro-laminated interfacial composite processing. The interphase kinetic established through localized micro plasticity, metal flow, alloy segregation and delocalized Al oxide and Mg oxide. The kinetic of interface/interphase induce new nontraditional crack mitigation a long with new bridging and toughening mechanisms.

  10. Contemporary artists' spinel pigments: Non-invasive characterization by means of electronic spectroscopy.

    Science.gov (United States)

    Angelin, Eva Mariasole; Bacci, Mauro; Bartolozzi, Giovanni; Cantisani, Emma; Picollo, Marcello

    2017-02-15

    The identification of artistic materials represents a fundamental step in supporting the conservation of cultural heritage objects. The importance of their appropriate characterization is particularly relevant in modern-contemporary art, since they could be affected by the occurrence of rapid changes in chemical formulation over time. This paper focuses on an investigation of a series of contemporary blue-green commercial acrylic paints constituted of spinel pigments, using non-invasive spectroscopic techniques. The spectroscopic and color measurements obtained make it possible to characterize the acrylic paints under investigation and to compare the results obtained with those reported in the literature and in spectral databases. To be more precise, the proposed UV-vis-NIR reflectance spectroscopic technique was sensitive enough to characterize the acrylic paints according to their d-d ligand field and the charge transfer (CT) electronic transitions involved in the spinel structures. In addition, an overview of this class of inorganic pigments is also given. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Selective Chemical Vapor Deposition Growth of Cubic FeGe Nanowires That Support Stabilized Magnetic Skyrmions.

    Science.gov (United States)

    Stolt, Matthew J; Li, Zi-An; Phillips, Brandon; Song, Dongsheng; Mathur, Nitish; Dunin-Borkowski, Rafal E; Jin, Song

    2017-01-11

    Magnetic skyrmions are topologically stable vortex-like spin structures that are promising for next generation information storage applications. Materials that host magnetic skyrmions, such as MnSi and FeGe with the noncentrosymmetric cubic B20 crystal structure, have been shown to stabilize skyrmions upon nanostructuring. Here, we report a chemical vapor deposition method to selectively grow nanowires (NWs) of cubic FeGe out of three possible FeGe polymorphs for the first time using finely ground particles of cubic FeGe as seeds. X-ray diffraction and transmission electron microscopy (TEM) confirm that these micron-length NWs with ∼100 nm to 1 μm diameters have the cubic B20 crystal structure. Although Fe 13 Ge 8 NWs are also formed, the two types of NWs can be readily differentiated by their faceting. Lorentz TEM imaging of the cubic FeGe NWs reveals a skyrmion lattice phase under small applied magnetic fields (∼0.1 T) at 233 K, a skyrmion chain state at lower temperatures (95 K) and under high magnetic fields (∼0.4 T), and a larger skyrmion stability window than bulk FeGe. This synthetic approach to cubic FeGe NWs that support stabilized skyrmions opens a route toward the exploration of new skyrmion physics and devices based on similar nanostructures.

  12. Spinel cobalt ferrite by complexometric synthesis

    NARCIS (Netherlands)

    Pham Duc Thang, P.D.T.; Rijnders, Augustinus J.H.M.; Blank, David H.A.

    2005-01-01

    Magnetic fine particles of cobalt ferrite (CoFe2O4) have been synthesized using complexometric method in which ethylene diamine tetra acetic acid C10H16N2O8 (EDTA) acts as a complexing agent. The crystallographic structure, microstructure and magnetic properties of the synthesized powder were

  13. Predictive study of structural, electronic, magnetic and thermodynamic properties of XFeO3 (X = Ag, Zr and Ru multiferroic materials in cubic perovskite structure: first-principles calculations

    Directory of Open Access Journals (Sweden)

    Moulay N.

    2015-06-01

    Full Text Available The full potential linear-muffin-tin-orbital method within the spin local density approximation has been used to study the structural, electronic, magnetic and thermodynamic properties of three multiferroic compounds of XFeO3 type. Large values of bulk modulus for these compounds have been obtained, which demonstrates their hardness. The calculated total and partial density of states of these compounds shows a complex of strong hybridized 3d and 4d states at Fermi level. The two degenerate levels eg and t2g clearly demonstrate the origin of this complex. We have also investigated the effect of pressure, from 0 GPa to 55 GPa, on the magnetic moment per atom and the exchange of magnetic energy between the ferromagnetic and antiferromagnetic states. For more detailed knowledge, we have calculated the thermodynamic properties, and determined heat capacity, Debye temperature, bulk modulus and enthropy at different temperatures and pressures for the three multiferroic compounds. This is the first predictive calculation of all these properties.

  14. The Exact Limit of Some Cubic Towers

    DEFF Research Database (Denmark)

    Anbar Meidl, Nurdagül; Beelen, Peter; Nguyen, Nhut

    2017-01-01

    Recently, a new explicit tower of function fields was introduced by Bassa, Beelen, Garcia and Stichtenoth (BBGS). This resulted in currently the best known lower bound for Ihara’s constant in the case of non-prime finite fields. In particular over cubic fields, the tower’s limit is at least as good...

  15. A monotonicity conjecture for real cubic maps

    Energy Technology Data Exchange (ETDEWEB)

    Dawson, S.P. [Los Alamos National Lab., NM (United States); Galeeva, R. [Northwestern Univ., Evanston, IL (United States); Milnor, J. [State Univ. of New York, Stony Brook, NY (United States); Tresser, C. [International Business Machines Corp., Yorktown Heights, NY (United States)

    1993-12-01

    This will be an outline of work in progress. We study the conjecture that the topological entropy of a real cubic map depends ``monotonely`` on its parameters, in the sense that each locus of constant entropy in parameter space is a connected set. This material will be presented in more detail in a later paper.

  16. Squares in arithmetic progression over cubic fields

    OpenAIRE

    Bremner, Andrew; Siksek, Samir

    2015-01-01

    Euler showed that there can be no more than three integer squares in arithmetic progression. In quadratic number fields, Xarles has shown that there can be arithmetic progressions of five squares, but not of six. Here, we prove that there are no cubic number fields which contain five squares in arithmetic progression.

  17. Abelian gauge potentials on cubic lattices

    DEFF Research Database (Denmark)

    Burrello, M.; Lepori, L.; Paganelli, S.

    2017-01-01

    fields in a system of ultracold atoms in optical lattices. After reviewing two of the main experimental schemes for the physical realization of synthetic gauge potentials in ultracold setups, we study cubic lattice tight-bindingmodels with commensurate flux.We finally discuss applications of gauge...

  18. SHORT COMMUNICATIONA Cubic Power Potential Model for ...

    African Journals Online (AJOL)

    SHORT COMMUNICATIONA Cubic Power Potential Model for Baryonium. L. K. Sharma. Full Text: EMAIL FULL TEXT EMAIL FULL TEXT · DOWNLOAD FULL TEXT DOWNLOAD FULL TEXT · http://dx.doi.org/10.4314/dai.v11i1.15528 · AJOL African Journals Online. HOW TO USE AJOL... for Researchers · for Librarians · for ...

  19. The Exact Limit of Some Cubic Towers

    DEFF Research Database (Denmark)

    Anbar Meidl, Nurdagül; Beelen, Peter; Nguyen, Nhut

    2017-01-01

    Recently, a new explicit tower of function fields was introduced by Bassa, Beelen, Garcia and Stichtenoth (BBGS). This resulted in currently the best known lower bound for Ihara’s constant in the case of non-prime finite fields. In particular over cubic fields, the tower’s limit is at least as go...

  20. An Integrated, Layered-Spinel Composite Cathode for Energy Storage Applications

    Science.gov (United States)

    Hagh, Nader; Skandan, Ganesh

    2012-01-01

    At low operating temperatures, commercially available electrode materials for lithium-ion batteries do not fully meet the energy and power requirements for NASA fs exploration activities. The composite cathode under development is projected to provide the required energy and power densities at low temperatures and its usage will considerably reduce the overall volume and weight of the battery pack. The newly developed composite electrode material can provide superior electrochemical performance relative to a commercially available lithium cobalt system. One advantage of using a composite cathode is its higher energy density, which can lead to smaller and lighter battery packs. In the current program, different series of layered-spinel composite materials with at least two different systems in an integrated structure were synthesized, and the volumetric and gravimetric energy densities were evaluated. In an integrated network of a composite electrode, the effect of the combined structures is to enhance the capacity and power capabilities of the material to levels greater than what is possible in current state-of-the-art cathode systems. The main objective of the current program is to implement a novel cathode material that meets NASA fs low temperature energy density requirements. An important feature of the composite cathode is that it has at least two components (e.g., layered and spinel) that are structurally integrated. The layered material by itself is electrochemically inactive; however, upon structural integration with a spinel material, the layered material can be electrochemically activated, thereby delivering a large amount of energy with stable cycling. A key aspect of the innovation has been the development of a scalable process to produce submicronand micron-scale particles of these composite materials. An additional advantage of using such a composite electrode material is its low irreversible loss (.5%), which is primarily due to the unique activation

  1. Unified treatment of coupled optical and acoustic phonons in piezoelectric cubic materials

    DEFF Research Database (Denmark)

    Willatzen, Morten; Wang, Zhong Lin

    2015-01-01

    A unified treatment of coupled optical and acoustic phonons in piezoelectric cubic materials is presented whereby the lattice displacement vector and the internal ionic displacement vector are found simultaneously. It is shown that phonon couplings exist in pairs only; either between the electric...... piezoelectricity in a cubic structured material slab. First, it is shown that isolated optical phonon modes generally cannot exist in piezoelectric cubic slabs. Second, we prove that confined acousto-optical phonon modes only exist for a discrete set of in-plane wave numbers in piezoelectric cubic slabs. Third...... potential and the lattice displacement coordinate perpendicular to the phonon wave vector or between the two other lattice displacement components. The former leads to coupled acousto-optical phonons by virtue of the piezoelectric effect. We then establish three new conjectures that entirely stem from...

  2. Influence of magnesia in the infiltration of magnesia-spinel refractory bricks by different clinkers

    OpenAIRE

    Gonçalves, Geraldo Eduardo; Pacheco, Graziella Rajão Cota; Brito, Modestino Alves de Moura; Silva, Sérgio Luiz Cabral da; Lins, Vanessa de Freitas Cunha

    2015-01-01

    Abstract In cement production, which involves the production of cement clinker in rotary kilns, the main refractories used are magnesia-spinel bricks. These bricks may suffer infiltration by the clinker liquid phase, resulting in the corrosion of the spinel and the formation of low refractoriness mineralogical phases, such as the Q phase (C20A13M3S3), which compromises refractory performance. Thus, the aim of this work is to correlate the infiltration resistance of magnesia-spinel bricks made...

  3. Nature of the Electrochemical Properties of Sulphur Substituted LiMn2O4 Spinel Cathode Material Studied by Electrochemical Impedance Spectroscopy

    Directory of Open Access Journals (Sweden)

    Monika Bakierska

    2016-08-01

    Full Text Available In this work, nanostructured LiMn2O4 (LMO and LiMn2O3.99S0.01 (LMOS1 spinel cathode materials were comprehensively investigated in terms of electrochemical properties. For this purpose, electrochemical impedance spectroscopy (EIS measurements as a function of state of charge (SOC were conducted on a representative charge and discharge cycle. The changes in the electrochemical performance of the stoichiometric and sulphur-substituted lithium manganese oxide spinels were examined, and suggested explanations for the observed dependencies were given. A strong influence of sulphur introduction into the spinel structure on the chemical stability and electrochemical characteristic was observed. It was demonstrated that the significant improvement in coulombic efficiency and capacity retention of lithium cell with LMOS1 active material arises from a more stable solid electrolyte interphase (SEI layer. Based on EIS studies, the Li ion diffusion coefficients in the cathodes were estimated, and the influence of sulphur on Li+ diffusivity in the spinel structure was established. The obtained results support the assumption that sulphur substitution is an effective way to promote chemical stability and the electrochemical performance of LiMn2O4 cathode material.

  4. Synthesis, characterization and formation mechanism of SiC/spinel nanocomposite

    International Nuclear Information System (INIS)

    Tavangarian, Fariborz; Li, Guoqiang

    2014-01-01

    Highlights: • SiC/spinel nanocomposite was synthesized from talc, aluminum and graphite powders. • A mechanism was suggested for the SiC/spinel nanocomposite formation. • The SiC/spinel nanocomposite powder had a mean crystallite size of about 9 nm. • During the formation of nanocomposite some intermediate compounds were formed. - Abstract: This paper reports the successful synthesis of SiC/spinel (MgAl 2 O 4 ) nanocomposite from talc, aluminum and graphite powders. The initial powders were mixed to obtain stoichiometric spinel containing 27.26 wt.% SiC. Scanning electron microscopy (SEM), X-ray diffraction (XRD), and transmission electron microscopy (TEM) techniques were utilized to characterize the synthesized powders. SiC/spinel nanocomposite was obtained after 6 h ball milling of initial materials in argon atmosphere with subsequent annealing at 1200 °C for 1 h in vacuum. The obtained nanocomposite had crystallites size between 1 and 15 nm with the mean diameter of 9 nm. The SiC/spinel composite formation mechanism was scrutinized. The results showed that SiC/spinel nanocomposite was not produced directly and the formation of some intermediate compounds is unavoidable during the synthesis procedure. The SiC/spinel nanocomposite powder may be a potential nanocomposite for high temperature applications with self-crack-healing capability

  5. Comment on 'Order-disorder phase transition induced by swift ions in MgAl2O4 and ZnAl2O4 spinels' by D. Simeone et al., J. Nucl. Mater. 300 (2002) 151-160

    International Nuclear Information System (INIS)

    Sickafus, Kurt E.

    2003-01-01

    In this letter, structure factor calculations and computer simulated powder X-ray diffraction patterns are used to challenge conclusions reached in a recent study by D. Simeone et al. regarding radiation-induced phase transformations in MgAl 2 O 4 spinel. Based on experimental results presented by D. Simeone et al. and previously by other researchers, and based on the structure factor results presented here, spinel most likely succumbs to a phase transformation under irradiation that involves a profound change in the arrangement of cations in the lattice. The space group is modified by the transformation and the new, metastable structure is most likely a defective rocksalt structure. These conclusions are at odds with the description of the spinel metastable phase offered by Simeone et al

  6. Piecewise-Cubic Approximation in Autotracking Mode

    CERN Document Server

    Dikoussar, N D

    2004-01-01

    A method for piecewise-cubic approximation within the frame of four-point transforms is proposed. The knots of the segments are detected in autotracking mode using a digitized curve. A three-point cubic parametric spline (TPS) is used as a model of a local approximant. A free parameter $\\theta$ (a coefficient at $x^{3}$) is found in a line following mode, using step-by-step averaging. A formula for expression of the free parameter via a length of the segment and values of a function and derivatives in joining points is received. The $C^{1}$-smoothness depends on the accuracy of the $\\theta$-estimate. The stability of the method w.r.t. input errors is shown as well. The key parameters of the approximation are: the parameters of the basic functions, the variance of the input errors, and a sampling step. The efficiency of the method is shown by numerical calculations on test examples.

  7. Electronic levels of cubic quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Aristone, Flavio [Federal De Mato Grosso Do Sul Univ., Campo Grande (Brazil); Sanchez-Dehesa, Jose [Autonoma De Madrid Univ., Madrid (Spain); Marques, Gilmar E. [Federal De Sao Carlos Univ., Sao Carlos (Brazil)

    2003-09-01

    We introduce an efficient variational method to solve the three-dimensional Schroedinger equation for any arbitrary potential V(x,y,z). The method uses a basis set of localized functions which are build up as products of one-dimensional cubic {beta}-splines. We calculated the energy levels of GaAs/AlGaAs cubic quantum dots and make a comparison with the results from two well-known simplification schemes based on a decomposition of the full potential problem into three separate one-dimensional problems. We show that the scheme making a sequential decomposition gives eigenvalues in better agreement with the ones obtained variationally, but an exact solution is necessary when looking for highly precise values.

  8. Tensile strain effect in ferroelectric perovskite oxide thin films on spinel magnesium aluminum oxide substrate

    Science.gov (United States)

    Zhou, Xiaolan

    Ferroelectrics are used in FeRAM (Ferroelectric random-access memory). Currently (Pb,Zr)TiO3 is the most common ferroelectric material. To get lead-free and high performance ferroelectric material, we investigated perovskite ferroelectric oxides (Ba,Sr)TiO3 and BiFeO3 films with strain. Compressive strain has been investigated intensively, but the effects of tensile strain on the perovskite films have yet to be explored. We have deposited (Ba,Sr)TiO3, BiFeO3 and related films by pulsed laser deposition (PLD) and analyzed the films by X-ray diffractometry (XRD), atomic force microscopy (AFM), etc. To obtain inherently fully strained films, the selection of the appropriate substrates is crucial. MgAl2O4 matches best with good quality and size, yet the spinel structure has an intrinsic incompatibility to that of perovskite. We introduced a rock-salt structure material (Ni 1-xAlxO1+delta) as a buffer layer to mediate the structural mismatch for (Ba,Sr)TiO3 films. With buffer layer Ni1-xAlxO1+delta, we show that the BST films have high quality crystallization and are coherently epitaxial. AFM images show that the films have smoother surfaces when including the buffer layer, indicating an inherent compatibility between BST-NAO and NAO-MAO. In-plane Ferroelectricity measurement shows double hysteresis loops, indicating an antiferroelectric-like behavior: pinned ferroelectric domains with antiparallel alignments of polarization. The Curie temperatures of the coherent fully strained BST films are also measured. It is higher than 900°C, at least 800°C higher than that of bulk. The improved Curie temperature makes the use of BST as FeRAM feasible. We found that the special behaviors of ferroelectricity including hysteresis loop and Curie temperature are due to inherent fully tensile strain. This might be a clue of physics inside ferroelectric stain engineering. An out-of-plane ferroelectricity measurement would provide a full whole story of the tensile strain. However, a

  9. Cubic Polynomials with Rational Roots and Critical Points

    Science.gov (United States)

    Gupta, Shiv K.; Szymanski, Waclaw

    2010-01-01

    If you want your students to graph a cubic polynomial, it is best to give them one with rational roots and critical points. In this paper, we describe completely all such cubics and explain how to generate them.

  10. Synthesis of Ca-doped spinel by Ultrasonic Spray Pyrolysis

    OpenAIRE

    Camargo, M.T.T.; Jacques, Q.; Caliman, L.B.; Miagava, J.; Hotza, D.; Castro, R.H.R.; Gouvêa, D.

    2016-01-01

    MgAl2O4 is a stable catalyst support with potential for replacing gamma-alumina in several applications. However, synthesis of magnesium spinel requires elevated temperatures to avoid phase separation (in MgO and Al2O3) at low temperatures, leading to coarsening and reduction of active surface area. In this work, nano CaO-doped and undoped magnesium aluminate were successfully prepared by Ultrasonic Spray Pyrolysis (USP), using a simple adapted experimental set-up operating at 1100 °C. During...

  11. Hydrothermal synthesis of nanostructured spinel lithium manganese oxide

    Science.gov (United States)

    Liu, Zhanqiang; Wang, Wen-lou; Liu, Xianming; Wu, Minchang; Li, Dan; Zeng, Zhen

    2004-04-01

    Nanostructured spherical spinel lithium manganese oxide (LiMnO) with about 200 nm in diameter was synthesized for the first time by mild hydrothermal method. The formation of the nanostructured spheres was through self-assembly of the nanoparticles and nanobelts. The influence of the reaction temperature and the time of formation of the nanostructures have been systematically studied. The thermal stability of the nanostructures has been examined by heating-treatment at different temperatures. Powder X-ray diffraction, transmission electron microscopy, high-resolution transmission electron microscopy, thermogravimetric analysis and inductively coupled plasma-atomic emission spectroscopy were used to characterize the products.

  12. Coexistence of Low Damping and Strong Magnetoelastic Coupling in Epitaxial Spinel Ferrite Thin Films.

    Science.gov (United States)

    Emori, Satoru; Gray, Benjamin A; Jeon, Hyung-Min; Peoples, Joseph; Schmitt, Maxwell; Mahalingam, Krishnamurthy; Hill, Madelyn; McConney, Michael E; Gray, Matthew T; Alaan, Urusa S; Bornstein, Alexander C; Shafer, Padraic; N'Diaye, Alpha T; Arenholz, Elke; Haugstad, Greg; Meng, Keng-Yuan; Yang, Fengyuan; Li, Dongyao; Mahat, Sushant; Cahill, David G; Dhagat, Pallavi; Jander, Albrecht; Sun, Nian X; Suzuki, Yuri; Howe, Brandon M

    2017-09-01

    Low-loss magnetization dynamics and strong magnetoelastic coupling are generally mutually exclusive properties due to opposing dependencies on spin-orbit interactions. So far, the lack of low-damping, magnetostrictive ferrite films has hindered the development of power-efficient magnetoelectric and acoustic spintronic devices. Here, magnetically soft epitaxial spinel NiZnAl-ferrite thin films with an unusually low Gilbert damping parameter (ferrite. At the same time, the coherently strained film structure suppresses extrinsic damping, enables soft magnetic behavior, and generates large easy-plane magnetoelastic anisotropy. These findings provide a foundation for a new class of low-loss, magnetoelastic thin film materials that are promising for spin-mechanical devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Spontaneous electric polarization in the B-site magnetic spinel GeCu2O4

    Science.gov (United States)

    Yanda, Premakumar; Ghara, Somnath; Sundaresan, A.

    2018-04-01

    We report the observation of a spontaneous electric polarization at the antiferromagnetic ordering temperature (TN ∼ 33 K) of Cu2+ ions in the B-site magnetic spinel GeCu2O4, synthesized at high pressure and high temperature. This compound is known to crystallize in a tetragonal structure (space group I41/amd) due to Jahn-Teller distortion of Cu2+ ions and exhibit a collinear up-up-down-down (↑↑↓↓) antiferromagnetic spin configuration below TN. We found a clear dielectric anomaly at TN, where an electric polarization appears in the absence of applied magnetic field. The electric polarization is suppressed by applied magnetic fields, which demonstrates that the compound GeCu2O4 is a type-II multiferroic.

  14. Lipidic cubic phase serial millisecond crystallography using synchrotron radiation

    Directory of Open Access Journals (Sweden)

    Przemyslaw Nogly

    2015-03-01

    Full Text Available Lipidic cubic phases (LCPs have emerged as successful matrixes for the crystallization of membrane proteins. Moreover, the viscous LCP also provides a highly effective delivery medium for serial femtosecond crystallography (SFX at X-ray free-electron lasers (XFELs. Here, the adaptation of this technology to perform serial millisecond crystallography (SMX at more widely available synchrotron microfocus beamlines is described. Compared with conventional microcrystallography, LCP-SMX eliminates the need for difficult handling of individual crystals and allows for data collection at room temperature. The technology is demonstrated by solving a structure of the light-driven proton-pump bacteriorhodopsin (bR at a resolution of 2.4 Å. The room-temperature structure of bR is very similar to previous cryogenic structures but shows small yet distinct differences in the retinal ligand and proton-transfer pathway.

  15. Magnetic, dielectric and microwave absorption properties of rare earth doped Ni–Co and Ni–Co–Zn spinel ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Stergiou, Charalampos, E-mail: stergiou@cperi.certh.gr

    2017-03-15

    In this article we analyze the electromagnetic properties of rare earth substituted Ni–Co and Ni–Co–Zn cubic ferrites in the microwave band, along with their performance as microwave absorbing materials. Ceramic samples with compositions Ni{sub 0.5}Co{sub 0.5}Fe{sub 2−x}R{sub x}O{sub 4} and Ni{sub 0.25}Co{sub 0.5}Zn{sub 0.25}Fe{sub 2−x}R{sub x}O{sub 4} (R=Y and La, x=0, 0.02), fabricated with the solid state reaction method, were characterized with regard to the complex permeability μ*(f) and permittivity ε*(f) up to 20 GHz. The rare earth substitutions basically affect the microwave μ*(f) spectra and the dynamic magnetization mechanisms of domain wall motion and magnetization rotation. Key parameters for this effect are the reduced magnetocrystalline anisotropy and the created crystal inhomogeneities. Moreover, permittivity is increased with the Y and La content, due to the enhancement of the dielectric orientation polarization. Regarding the electromagnetic wave attenuation, the prepared ferrites exhibit narrowband return losses (RL) by virtue of the cancellation of multiple reflections, when their thickness equals an odd multiple of quarter-wavelength. Interestingly, the zero-reflection conditions are satisfied in the vicinity of the ferromagnetic resonance. As the rare earth doping shifts this mechanism to lower frequencies, loss peaks with RL>46 dB occur at 4.1 GHz and 5 GHz for Y and La-doped Ni–Co–Zn spinels, whereas peaks with RL>40 dB appear at 18 GHz and 19 GHz for Y and La-doped Ni–Co spinels, respectively. The presented experimental findings underline the potential of cubic ferrites with high Co concentration in the suppression of electromagnetic reflections well above the 1 GHz region. - Highlights: • Due to cation distribution, magnetic anisotropy drops in Y and La doped samples. • Microwave permeability spectra shift to lower frequencies with rare earth doping. • Permittivity is increased due to crystal modifications

  16. Aqueous slip casting of MgAl2O4 spinel powder

    Indian Academy of Sciences (India)

    Keywords. MgAl2O4 spinel; phosphate coating; aluminium dihydrogen phosphate; orthophosphoric acid; slip casting; freeze granulation; double-stage firing process. 1. Introduction. Magnesium aluminate (MgAl2O4) spinel (MAS) possesses many important thermal, chemical, mechanical and physical properties (Hing 1976 ...

  17. Enhancement photocatalytic activity of spinel oxide (Co, Ni3O4 by combination with carbon nanotubes

    Directory of Open Access Journals (Sweden)

    Kahdum Bashaer J.

    2017-09-01

    Full Text Available In this study, some types of composites consisting of multi-walled carbon nanotubes (MWCNTs and spinel oxide (Co, Ni3O4 were synthesized by simple evaporation method. These composites were characterized by UV–Vis diffuse reflectance spectroscopy, X-rays diffraction(XRD, Scanning electron microscopy (SEM and specific surface area(SBET. The photocatalytic activity of the prepared composites was investigated by the following removal of Bismarck brown G (BBG dye from its aqueous solutions. The obtained results showed that using MWCNTs in combination with spinel oxide to produced composites (spinel/MWCNTs which succeeded in increasing the activity of spinel oxide and exhibited higher photocatalytic activity than spinel oxide alone. Also it was found that, multiwalled carbon nanotubes were successful in increasing the adsorption and improving the activity of photocatalytic degradation of Bismarck brown G dye(BBG. The obtained results showed that spinel/MWCNTs was more active in dye removal in comparison with each of spinel oxide and MWCNTs alone under the same reaction conditions. Also band gap energies for the prepared composites showed lower values in comparison with neat spinel. This point represents a promising observation as these composites can be excited using a lower energy radiation sources.

  18. Synthesis of high surface area spinel-type MgAl2O4 nanoparticles by

    Indian Academy of Sciences (India)

    68

    H2O)2]2[Mg(dipic)2] precursor has smaller crystallite size in comparison with the spinel synthesized through .... Iwamoto, Fabrication of porous spinel. (MgAl2O4) from porous alumina using a template method, Ceramics International 39 (2013).

  19. Effect of particle size on microstructure and strength of porous spinel ...

    Indian Academy of Sciences (India)

    The lightweight Al2O3–MgO refractories with high strength and high slag resistance were prepared, using the porous spinel ceramics with small pore size and homogenous pore distribution as aggregates (Yan et al 2008, 2009). Generally, the spinel can be synthesized by an electrofu- sion method, a sintering method and ...

  20. Studies on the efficient dual performance of Mn1-xNixFe2O4spinel nanoparticles in photodegradation and antibacterial activity.

    Science.gov (United States)

    Jesudoss, S K; Vijaya, J Judith; Kennedy, L John; Rajan, P Iyyappa; Al-Lohedan, Hamad A; Ramalingam, R Jothi; Kaviyarasu, K; Bououdina, M

    2016-12-01

    The present work describes the successful synthesize of spinel magnetic ferrite Mn 1-x Ni x Fe 2 O 4 (x=0.0, 0.1, 0.2, 0.3, 0.4 & 0.5) nanoparticles via a simple microwave combustion method which was then evaluated for its photocatalytic activity in the degradation of indigo carmine (IC) synthetic dye, a major water pollutant. Our results reveal that the synthesized of Ni 2+ doped MnFe 2 O 4 nanoparticles possess well-crystalline pure cubic spinel phase, exhibit excellent optical and magnetic properties. Further, the photocatalytic performance of the synthesized nanoparticles at different concentration ratios of Ni 2+ ions was monitored by photocatalytic degradation of indigo carmine synthetic dye under UV (λ=365nm) light irradiation. In order to get maximum photocatalytic degradation (PCD) efficiency, we have optimized various parameters, which include catalyst dosage, initial dye concentration, pH and Ni 2+ dopant content. It was found that the reaction was facilitated with optimum catalyst dose of 50mg/100mL, high dye concentrations of 150mg/L and acidic pH and among all the synthesized samples, Mn 0·5 Ni 0.5 Fe 2 O 4 exhibit superior performance of photocatalytic activity on the degradation of indigo carmine synthetic dye. These results highlighted the potential use of effective, low-cost and easily available photocatalysts for the promotion of wastewater treatment and environmental remediation. In addition, the antibacterial activity of spinel magnetic Mn 1-x Ni x Fe 2 O 4 nanoparticles against two Gram positive bacteria (Staphylococcus aureus and Bacillus subtilis) and two Gram negative bacteria (Pseudomonas aeruginosa and Escherichia coli) was also examined. Our antibacterial activity results are comparable with the results obtained using the antibiotic, streptomycin. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Sesamum indicum Plant Extracted Microwave Combustion Synthesis and Opto-Magnetic Properties of Spinel MnxCo₁₋xAl₂O₄Nano-Catalysts.

    Science.gov (United States)

    Manikandan, A; Durka, M; Selvi, M Amutha; Antony, S Arul

    2016-01-01

    Spine Mn(x)Co₁₋xAl₂O₄ (x = 0, 0.3 and 0.5) nanoparticles were synthesized using Sesamum indicum (S. indicum) plant extracted microwave-assisted combustion method. S. indicum plant extract simplifies the process, provides an alternative process for a simple, economical and environment friendly synthesis. The absence of surfactant/catalysts has led to a simple, cheap and fast method of synthesis of spinel nanoparticles. The as-synthesized spinel nanoparticles were characterized by X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, high resolution scanning electron microscopy (HR-SEM), high resolution transmission electron microscopy (HR-TEM), energy dispersive X-ray analysis (EDX), Brunauer Emmett Teller (BET) surface area analysis, UV-Visible diffuse reflectance spectroscopy (DRS), Photoluminescence (PL) spectroscopy, and vibrating sample magnetometer. The formation of spinel nanoparticles was confirmed by HR-SEM and HR-TEM and their possible formation mechanisms were also proposed. Powder XRD, FT-IR, SAED and EDX results confirmed the formation of pure and single cubic phase CoAl₂O₄ with well-defined crystalline. The optical property was determined by DRS and PL spectra. VSM measurements revealed that pure and Mn-doped CoAl₂O₄ samples have weak ferromagnetic behavior and the magnetization values increases with increasing the concentration of Mn²⁺ ions in the CoAl₂O₄ lattice. The sample Mn₀.₅Co₀.₅Al₂O₄ possessed higher surface area and smaller crystallite size than other samples, which led to enhance the performance toward the selective oxidation of benzyl alcohol into benzaldehyde.

  2. A novel cubic phase of medium chain lipid origin for the delivery of poorly water soluble drugs.

    Science.gov (United States)

    Kossena, Greg A; Charman, William N; Boyd, Ben J; Porter, Christopher J H

    2004-09-30

    The existence of a novel cubic liquid crystalline phase is described within the pseudo-ternary system comprising lauric acid, monolaurin, and simulated endogenous intestinal fluid (SEIF). This phase behaviour has been characterized using cross-polarizing light microscopy (CPLM), and the structure of the cubic phase identified by small angle X-ray scattering (SAXS). The presence of the cubic phase was found to be temperature sensitive within the 20-37 degrees C range making it putative material for in situ gelation purposes. The cubic phase was shown to have a high capacity to solubilise a model poorly water-soluble drug, cinnarizine, and initial in vitro release data highlight the potential of this phase to provide sustained release. Absorption of cinnarizine from the cubic phase was studied in an unconscious rat model via duodenal administration and blood sampling via the carotid artery. The rate of absorption was significantly reduced when compared to a simple suspension formulation, a likely combination of retarded erosion of the cubic phase together with hindered drug release from the cubic matrix. The results of this study suggest that this cubic phase may potentially be of benefit in the delivery of poorly water-soluble compounds due to its high loading capacity and potential for sustained release. The ability to manipulate this system using temperature may warrant further interest in delivery applications via other routes of administration.

  3. Epitaxy and Characterization of Cubic GaN and Ga1-xInxN on Micropatterned Si(001)

    Science.gov (United States)

    Durniak, Mark Timothy

    Cubic GaInN/GaN heterostructures in the cubic lattice variant have the potential to overcome the limitations of wurtzite structures as commonly used for light emitting and laser diodes. Wurtzite GaInN (0001), suffers from large internal polarization fields, which force design compromises towards ultra-narrow quantum wells and reduced recombination volume and efficiency, particularly in the green, yellow, and red visible spectral regions. Cubic GaInN microstripes, grown here by metal-organic vapor phase epitaxy (MOVPE), on micropatterned Si (001), with {111} v-grooves oriented along Si 〈011¯〉, offer a system free of internal polarization fields, wider quantum wells, and a smaller bandgap energy. This thesis focuses on improving understanding of the growth mechanisms of the metastable cubic phase, evaluating the viability of wide quantum well structures, and the development of new cubic LED fabrication techniques. A reduction in the size of unwanted polycrystalline GaN grains was achieved by growth at high nitrogen to gallium (V/III) ratios without affecting cubic GaN nucleation. Grain sizes decreased from 0.5 to 0.02 microm2 as the V/III ratio increased from approximately 10,000 to 26,000. It is desirable to have wide stripes of cubic GaN for devices and the deeper within the groove the cubic GaN nucleates, the wider the stripe is at the top surface. Groove bottom geometry was found to play a role in this point of nucleation. For grooves with bottom-widths between 0 and 250 nm the cubic nucleation occurred deeper within the groove when the grooves had wider bottoms. Beyond 250 nm the nucleation depth hits a theoretical limit, dictated by the crystallographic geometry. These growth studies led to the development of micron-wide cubic GaN stripes on which we prepared wide, 3-30 nm, Ga1-xIn xN/GaN single quantum well structures. Photoluminescent (PL) spectra of these structures exhibited peak wavelengths from 520-570 nm, depending on the temperature of well growth

  4. On construction of quantum mechanics on cubic forms

    International Nuclear Information System (INIS)

    Yamaleev, R.M.

    1989-01-01

    One of the ways is studied of constructing Quantum Mechanics on cubic forms with a wave function in the field of Greav's numbers. The corresponding cubic forms and transformations such as rotation which remain invariant these cubic forms are determined. The properties of geometric elements on cubic forms and Dicson algebra of the cubic degree are described. We give definitions of triunitary operator, creation operators for trilinear oscillator and operator of trispin. Analogs of the energy operator of Pauli equation and the relativistic relationship between energy, momentum and mass are considered. 10 refs

  5. Investigation of structural and magnetic properties of Zr-Co doped nickel ferrite nanomaterials

    Science.gov (United States)

    Ali, Rajjab; Khan, Muhammad Azhar; Manzoor, Alina; Shahid, Muhammad; Haider, Sajjad; Malik, Abdul Sattar; Sher, Muhammad; Shakir, Imran; Farooq Warsi, Muhammad

    2017-05-01

    Nano-sized Zr-Co doped nickel ferrites with nominal composition, NiZrxCoxFe2-2xO4 (x=0.0, 0.2, 0.4, 0.6, 0.8) were synthesized using the micro-emulsion route. The structural elucidation of the synthesized materials was carried out by X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy. The XRD analysis confirmed face centered cubic (FCC) structure of all compositions of NiZrxCoxFe2-2xO4 nanocrystallites. Crystallite size was calculated by Scherrer's formula found in the range 10-15 nm. The variation in lattice parameter as determined by XRD data agreed with size variation of host (Fe3+) and guest (Zr4+ and Co2+) cations. FTIR spectra of doped NiFe2O4 exhibited the typical octahedral bands at 528.4 cm-1 which is the characteristic feature of spinel structure of spinel ferrites. The characterized spinel NiZrxCoxFe2-2xO4 nano-ferrites were evaluated for their potential applications by magnetic hysteresis loops and dielectric measurements. The value of saturation magnetization (Ms) decreased from 47.9 to 13.09 emu/g up to x=0.8 with ups and downs fluctuations in between x=0.0 to x=0.8. The high values of Ms of some compositions predicted the potential applications in high density perpendicular recording media and microwave devices. The frequency dependent behavior of permittivity (ε') is recorded and discussed with the help of hopping mechanism of both holes and electrons. The dielectric and magnetic data of NiZrxCoxFe2-2xO4 nano-ferrites suggested the potential applications of these ferrite nanoparticles in high frequency and magnetic data storage devices fabrication.

  6. Hydrothermal spinel, corundum and diaspore in lower oceanic crustal troctolites from the Hess Deep Rift

    Science.gov (United States)

    Nozaka, Toshio; Meyer, Romain; Wintsch, Robert P.; Wathen, Bryan

    2016-06-01

    Aluminous spinel, corundum and diaspore are reported from intensely altered parts of primitive troctolites recovered from IODP Site U1415 at the Hess Deep Rift. The spinel is green-colored, has an irregular shape, has low Cr concentrations, and is so distinct from primary igneous chromite. Corundum and diaspore occur mainly at the rims of green spinel grains with a texture suggesting a sequential replacement of spinel by corundum, and then corundum by diaspore. The green spinel is associated with anorthite and pargasite, which is overgrown by tremolite that forms coronitic aggregates with chlorite around olivine. These petrographic observations are supported by pressure-temperature pseudosections, which predict spinel + pargasite stability field, and tremolite/hornblende + chlorite field at lower temperature conditions. From these pseudosections and simplified system phase diagrams, estimated formation temperature conditions calculated at 2 kbar are 650-750 °C for spinel + pargasite, 410-690 °C for tremolite/hornblende + chlorite, 400-710 °C for corundum, and diaspore. Because the aluminous spinel occurs in the domains that were previously occupied by magmatic plagioclase, and because spinel-bearing rocks characteristically have high Al2O3/CaO and Al2O3/SiO2 ratios, it is likely that the stabilization of spinel was caused by the loss of Ca2+ and SiO2(aq) in high-temperature hydrothermal fluids. The results of this study suggest that (1) the concentrations of aluminous phases in the lower oceanic crust are presently underestimated, and (2) chemical modification of the lower oceanic crust due to high-temperature hydrothermal metasomatic reactions could be common near spreading axes.

  7. Compilation of temperature factors of cubic compounds

    International Nuclear Information System (INIS)

    Butt, N.M.; Bashir, J.; Willis, B.T.M.; Khan, M.N.

    1991-11-01

    A compilation of the temperature factors of 52 cubic compounds determined by diffraction methods using X-rays, neutron, and gamma rays is presented. For each compound the recommended temperature factors of cation B/sup +/, anion B/sup -/and B/sup prime/, the mass weighted average of B/sup +/and B/sup -/, along with the Debye temperature phi are given. This represents the second stage of a temperature factor project initiated by the Neutron Diffraction Commission of the International Union of Crystallography. (author)

  8. Hydrothermal synthesis of cubic boron nitride crystals

    International Nuclear Information System (INIS)

    Yu Meiyan; Cui Deliang; Kai Li; Yin Yansheng; Wang Qilong; Lei Chu

    2005-01-01

    Cubic boron nitride (cBN) crystals have been successfully synthesized by in situ hydrothermal method. In order to obtain cBN pure phase crystals, two comparative experiments were carried out. The experimental results indicated that compared to one-step in situ hydrothermal method, multi-step in situ hydrothermal method was beneficial to the synthesis of cBN. It is believed that the multi-step in situ hydrothermal method is the optimal route to synthesize pure cBN bulk crystals

  9. THERMODYNAMIC PARAMETERS OF LEAD SULFIDE CRYSTALS IN THE CUBIC PHASE

    Directory of Open Access Journals (Sweden)

    T. O. Parashchuk

    2016-07-01

    Full Text Available Geometric and thermodynamic parameters of cubic PbS crystals were obtained using the computer calculations of the thermodynamic parameters within density functional theory method DFT. Cluster models for the calculation based on the analysis of the crystal and electronic structure. Temperature dependence of energy ΔE and enthalpy ΔH, Gibbs free energy ΔG, heat capacity at constant pressure CP and constant volume CV, entropy ΔS were determined on the basis of ab initio calculations of the crystal structure of molecular clusters. Analytical expressions of temperature dependences of thermodynamic parameters which were approximated with quantum-chemical calculation points have been presented. Experimental results compared with theoretically calculated data.

  10. Compositional Variation of Chrome Spinels in the Ore-bearing Zones of the Kraka Ophiolite and the Chromitite Origin

    Directory of Open Access Journals (Sweden)

    D. E. Saveliev

    2017-07-01

    Full Text Available The article considers a chemical variation of accessory and ore-forming chrome spinels from the Kraka ultramafic massif at the different scales, from the deposit to the thin section. A correlation analysis of compositional and structural features of ultramafic rocks and ores was performed. The ultramafic rocks and chromitites in the studied massif show the distinct deformation structures and tectonite olivine fabric. A typical chemical gap (i.e. Cr#=Cr/(Cr+Al was observed between peridotite, on the one hand, and dunite and chromitite, on the other hand, on the scale of deposits and ore-bearing zones. The location and size of this gap depend on the type of deposit. The gap becomes wider from the disseminated tabular bodies to the typical podiform ones. It has been found that in the thin initial dunite veinlets in peridotite the chrome spinels chemistry changes gradually and there is no Cr# gap between peridotite and dunite. The dunite venlets show a strong olivine fabric, which is an evidence of their high-temperature plastic flow origin. It has been revealed that new chrome spinel grains previously formed as rods or needles and then coarsened. We explained this observation as the result of impurity segregation, coalescence and spheroidization induced by the plastic deformation of olivine. It is inferred that a solid crystal flow is the main requirement for the dunite and chromitite body formation in the Kraka ophiolite massif. In the solid stream, the mineral phase separation takes place. For example, olivine and orthopyroxene grains of parental peridotite separate from one another, and weaker (more mobile olivine grains form dunite bodies in which chromitite appears as a result of impurity segregation.

  11. A New Spinel-Olivine Oxybarometer: Near-Liquidus Partitioning of V between Olivine-Melt, Spinel-Melt, and Spinel-Olivine in Martian Basalt Composition Y980459 as a Function of Oxygen Fugacity

    Science.gov (United States)

    Papike, J. J.; Le, L.; Burger, P. V.; Shearer, C. K.; Bell, A. S.; Jones, J.

    2013-01-01

    Our research on valence state partitioning began in 2005 with a review of Cr, Fe, Ti, and V partitioning among crystallographic sites in olivine, pyroxene, and spinel [1]. That paper was followed by several on QUE94201 melt composition and specifically on Cr, V, and Eu partitioning between pyroxene and melt [2-5]. This paper represents the continuation of our examination of the partitioning of multivalent V between olivine, spinel, and melt in martian olivine-phyric basalts of Y980459 composition [6, 7]. Here we introduce a new, potentially powerful oxybarometer, V partitioning between spinel and olivine, which can be used when no melt is preserved in the meteorite. The bulk composition of QUE94201 was ideal for our study of martian pyroxene-phyric basalts and specifically the partitioning between pyroxene-melt for Cr, V, and Eu. Likewise, bulk composition Y980459 is ideal for the study of martian olivine-phyric basalts and specifically for olivine-melt, spinel-melt, and spinel-olivine partitioning of V as a function of oxygen fugacity.

  12. Multiply charged monopoles in cubic dimer model

    Science.gov (United States)

    Ganesh Jaya, Sreejith; Powell, Stephen

    2015-03-01

    The classical cubic dimer model is a 3D statistical mechanical system whose degrees of freedom are dimers that occupy the edges between nearest neighbour vertices of a cubic lattice. Dimer occupancies are subject to the local constraint that every vertex is associated with exactly one dimer. In the presence of an aligning interaction, it is known that the system exhibits an unconventional continuous thermal phase transition from a symmetry broken columnar phase to a Coulomb-phase. The transition is in the NCCP1 universality class, which also describes the Neel-VBS transition in the JQ model and the S =1/2 Heisenberg model with suppression of hedgehog defects. Using Monte-Carlo simulations of a pair of defects in a background of fluctuating dimers, we calculate the scaling exponents for fugacities of monopole defects of charge Q = 2 and 3 at this critical point. Our estimates suggest that Q = 3 monopoles are relevant and could therefore drive the JQ model away from the NCCP1 critical point on a hexagonal lattice.

  13. Sonochemical synthesis of Gd3+doped CoFe2O4spinel ferrite nanoparticles and its physical properties.

    Science.gov (United States)

    Yadav, Raghvendra Singh; Kuřitka, Ivo; Vilcakova, Jarmila; Havlica, Jaromir; Kalina, Lukas; Urbánek, Pavel; Machovsky, Michal; Skoda, David; Masař, Milan; Holek, Martin

    2018-01-01

    In this work, a facile and green method for gadolinium doped cobalt ferrite (CoFe 2-x Gd x O 4 ; x=0.00, 0.05, 0.10, 0.15, 0.20) nanoparticles by using ultrasonic irradiation was reported. The impact of Gd 3+ substitution on the structural, magnetic, dielectric and electrical properties of cobalt ferrite nanoparticles was evaluated. The sonochemically synthesized spinel ferrite nanoparticles were characterized by X-ray Diffraction (XRD), scanning electron microscopy (SEM), Raman spectroscopy, Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), vibrating sample magnetometer (VSM). X-ray diffraction (XRD) study confirmed the formation of single phase spinel ferrite of CoFe 2-x Gd x O 4 nanoparticles. XRD results also revealed that ultrasonic irradiation seems to be favourable to achieve highly crystalline single crystal phase gadolinium doped cobalt ferrite nanoparticles without any post annealing process. Fourier Transform Infrared and Raman Spectra confirmed the formation of spinel ferrite crystal structure. X-ray photoelectron spectroscopy revealed the impact of Gd 3+ substitution in CoFe 2 O 4 nanoparticles on cation distribution at the tetrahedral and octahedral site in spinel ferrite crystal system. The electrical properties showed that the Gd 3+ doped cobalt ferrite (CoFe 2-x Gd x O 4 ; x=0.20) exhibit enhanced dielectric constant (277 at 100Hz) and ac conductivity (20.2×10 -9 S/cm at 100Hz). The modulus spectroscopy demonstrated the impact of Gd 3+ substitution in cobalt ferrite nanoparticles on grain boundary relaxation time, capacitance and resistance. Magnetic property measurement revealed that the coercivity decreases with Gd 3+ substitution from 234.32Oe (x=0.00) to 12.60Oe (x=0.05) and further increases from 12.60Oe (x=0.05) to 68.62Oe (x=0.20). Moreover, saturation magnetization decreases with Gd 3+ substitution from 40.19emu/g (x=0.00) to 21.58emu/g (x=0.20). This work demonstrates that the grain size and cation

  14. Role of spinel substrate in the morphology of BiFeO3-CoFe2O4 epitaxial nanocomposite films

    Science.gov (United States)

    Stern, Ilan; He, Jibao; Zhou, Xiaolan; Silwal, Punam; Miao, Ludi; Vargas, Jose Marcelo; Spinu, Leonard; Kim, Dae Ho

    2011-08-01

    Epitaxial thin films of BiFeO3-CoFe2O4 composite were grown on spinel MgAl2O4 substrates with a (001) orientation. The composite formed an intriguing nanogrid structure where perovskite BiFeO3 forms linear mounds embedded in a matrix of spinel CoFe2O4. The structure makes a stark distinction with similar composite films on (001) perovskite SrTiO3 substrates where CoFe2O4 forms nanopillars surrounded by a BiFeO3 matrix. This result shows the interface between the film and the substrate that plays a determining role during the formation of the composite.

  15. On the influence of applied fields on spinel formation

    International Nuclear Information System (INIS)

    KORTE, C.; FARER, J.K.; RAVISHANKAR, N.; MICHAEL, JOSEPH R.; SCHMALZRIED, J.; CARTER, C.B.

    2000-01-01

    Interfaces play an important role in determining the effect of electric fields on the mechanism of the formation spinel by solid-state reaction. The reaction occurs by the movement of phase boundaries but the rate of this movement can be affected by grain boundaries in the reactants or in the reaction product. Only by understanding these relationships will it be possible to engineer their behavior. As a particular example of such a study, MgIn 2 O 4 can be formed by the reaction between single-crystal MgO substrate and a thin film of In 2 O 3 with or without an applied electric field. High-resolution backscattered electron (BSE) imaging and electron backscattered diffraction (EBSD) in a scanning electron microscope (SEM) has been used to obtain complementary chemical and crystallographic information

  16. On the influence of applied fields on spinel formation

    Energy Technology Data Exchange (ETDEWEB)

    KORTE,C.; FARER,J.K.; RAVISHANKAR,N.; MICHAEL,JOSEPH R.; SCHMALZRIED,J.; CARTER,C.B.

    2000-04-04

    Interfaces play an important role in determining the effect of electric fields on the mechanism of the formation spinel by solid-state reaction. The reaction occurs by the movement of phase boundaries but the rate of this movement can be affected by grain boundaries in the reactants or in the reaction product. Only by understanding these relationships will it be possible to engineer their behavior. As a particular example of such a study, MgIn{sub 2}O{sub 4} can be formed by the reaction between single-crystal MgO substrate and a thin film of In{sub 2}O{sub 3} with or without an applied electric field. High-resolution backscattered electron (BSE) imaging and electron backscattered diffraction (EBSD) in a scanning electron microscope (SEM) has been used to obtain complementary chemical and crystallographic information.

  17. Synthesis and magneto-structural study of CoxFe3-xO4 nanoparticles

    International Nuclear Information System (INIS)

    Betancourt-Galindo, R.; Ayala-Valenzuela, O.; Garcia-Cerda, L.A.; Rodriguez Fernandez, O.; Matutes-Aquino, J.; Ramos, G.; Yee-Madeira, H.

    2005-01-01

    The Co 2+ ion in an octahedral site of the cubic spinel structure has a highly anisotropic character. The electric crystal field produces a degenerate ground state with a orbital magnetic momentum fixed parallel to a trigonal axis, and the spin-orbit interaction tends to align the spin magnetic moment parallel to this trigonal axis giving high anisotropy. Then, the use of Co x Fe 3-x O 4 system allows the tailoring of the magnetic properties by changing the cobalt content, which can be very useful in magnetic fluids, magnetic latex and free rotors applications. In this work Co x Fe 3-x O 4 nanoparticles over a compositional range 0.0 x Fe 3-x O 4 powders shows that an increase of the cobalt contain yields a steadily decrease in the maximum magnetization

  18. Cubic zirconia as a high-quality facet coating for semiconductor lasers

    Energy Technology Data Exchange (ETDEWEB)

    Chin, A.K.; Satyanarayan, A.; Zarrabi, J.H.; Vetterling, W.

    1988-08-01

    In this paper we describe the properties of high-quality, semiconductor laser facet coatings based on yttria-stabilizied cubic zirconia (90-m% ZrO/sub 2//10-m% Y/sub 2/O/sub 3/). We have found that cubic zirconia films can be reproducibly deposited by electron-beam evaporation with an index of refraction of 1.98 at 6328 A, almost ideal for use as a single-layer antireflection coating for GaAs/GaAlAs-based lasers. ZrO/sub 2/ has a monoclinic crystal structure at room temperature, but changes to tetragonal, hexagonal, and cubic phases upon heating to higher temperatures. However, the addition of the Y/sub 2/O/sub 3/ stabilizes ZrO/sub 2/ in the cubic form, thus allowing electron-beam deposition of thin films of this material to be more controllable and reproducible without the usual addition of oxygen into the vacuum chamber during deposition. Preliminary aging tests of high-power GaAs/GaAlAs lasers show that cubic zirconia films suppress the photo-enhanced oxidation of laser facets that degrades device performance.

  19. Phase transformation of metastable cubic γ-phase in U-Mo alloys

    International Nuclear Information System (INIS)

    Sinha, V.P.; Hegde, P.V.; Prasad, G.J.; Dey, G.K.; Kamath, H.S.

    2010-01-01

    Over the past decade considerable efforts have been put by many fuel designers to develop low enriched uranium (LEU 235 ) base U-Mo alloy as a potential fuel for core conversion of existing research and test reactors which are running on high enriched uranium (HEU > 85%U 235 ) fuel and also for the upcoming new reactors. U-Mo alloy with minimum 8 wt% molybdenum shows excellent metastability with cubic γ-phase in cast condition. However, it is important to characterize the decomposition behaviour of metastable cubic γ-uranium in its equilibrium products for in reactor fuel performance point of view. The present paper describes the phase transformation behaviour of cubic γ-uranium phase in U-Mo alloys with three different molybdenum compositions (i.e. 8 wt%, 9 wt% and 10 wt%). U-Mo alloys were prepared in an induction melting furnace and characterized by X-ray diffraction (XRD) method for phase determination. Microstructures were developed for samples in as cast condition. The alloys were hot rolled in cubic γ-phase to break the cast structure and then they were aged at 500 o C for 68 h and 240 h, so that metastable cubic γ-uranium will undergo eutectoid decomposition to form equilibrium phases of orthorhombic α-uranium and body centered tetragonal U 2 Mo intermetallic compound. U-Mo alloy samples with different ageing history were then characterized by XRD for phase and development of microstructure.

  20. Application of the cubic polynomial strength criterion to the failure analysis of composite materials

    Science.gov (United States)

    Tennyson, R. C.; Nanyaro, A. P.; Wharram, G. E.

    1980-01-01

    A comparative failure analysis is presented based on the application of quadratic and cubic forms of the tensor polynomial lamina strength criterion to various composite structural configurations in a plane stress state. Failure loads have been predicted for off-angle laminates under simple loading conditions and for symmetric-balanced laminates subject to varying degrees of biaxial tension, including configurations subject to multimode failures. Some experimental data are also provided to support these calculations. From these results, the necessity of employing a cubic strength criterion to accurately predict the failure of composite laminae is demonstrated.

  1. The effect of Y2O3 addition on thermal shock behavior of magnesium aluminate spinel

    Directory of Open Access Journals (Sweden)

    Pošarac Milica

    2009-01-01

    Full Text Available The effect of yttria additive on the thermal shock behavior of magnesium aluminate spinel has been investigated. As a starting material we used spinel (MgAl2O4 obtained by the modified glycine nitrate procedure (MGNP. Sintered products were characterized in terms of phase analysis, densities, thermal shock, monitoring the damaged surface area in the refractory specimen during thermal shock and ultrasonic determination of the Dynamic Young modulus of elasticity. It was found that a new phase between yttria and alumina is formed, which improved thermal shock properties of the spinel refractories. Also densification of samples is enhanced by yttria addition.

  2. Neutron diffraction study of cubic titanium carbohydride at the homogeneity lower limit

    International Nuclear Information System (INIS)

    Khidirov, I.; Mirzaev, B.B.; Mukhtarova, N.N.

    2004-01-01

    Cubic carbohydride TiC 0.47H0.22 was prepared by means of quenching from 1200 deg.C followed by the heat treatment using special regime for preventing the hydrogen yield out the lattice. It is shown that at the lower limit of homogeneity range of the cubic carbohydride, hydrogen atoms occupy the tetrahedral interstices 8(c) of the disordered cubic structure with space group of Fm3m. It is found that carbon and hydrogen atoms are partially ordered by annealing at 900-700 deg.C. The ordered structure is face-centred cubic lattice with the parameter a ≅2a 0 , where a 0 is the lattice parameter in disordered structure. The crystal structure of the disordered phase is described within the framework of space group Fd3m, where the carbon atoms occupy mainly (70%) octahedral interstices 16(c) and another ones of carbon and all hydrogen atoms occupy the octahedral interstices 16(d). (author)

  3. New cubic perovskites for one- and two-photon water splitting using the computational materials repository

    DEFF Research Database (Denmark)

    Castelli, Ivano Eligio; Landis, David; Thygesen, Kristian Sommer

    2012-01-01

    screening of around 19 000 oxides, oxynitrides, oxysulfides, oxyfluorides, and oxyfluoronitrides in the cubic perovskite structure with PEC applications in mind. We address three main applications: light absorbers for one- and two-photon water splitting and high-stability transparent shields to protect...

  4. Calculated Pourbaix Diagrams of Cubic Perovskites for Water Splitting: Stability Against Corrosion

    DEFF Research Database (Denmark)

    Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel

    2014-01-01

    We use density functional theory calculations to investigate the stability of cubic perovskites for photo-electrochemical water splitting taking both materials in their bulk crystal structure and dissolved phases into account. The method is validated through a detailed comparison of the calculated...

  5. Synthesis, structural, optical, electrical and Mössbauer spectroscopic studies of Co substituted Li{sub 0.5}Fe{sub 2.5}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Parul [School of Physics & Materials Science, Shoolini University, Solan, HP (India); Thakur, Preeti, E-mail: preetithakur@shooliniuniversity.com [School of Physics & Materials Science, Shoolini University, Solan, HP (India); Mattei, Jean Luc; Queffelec, Patrick [Laboratoire des Sciences et Techniques, de l’Information, de la Communication et de la Connaissance, UMR CNRS 6285, 6 av. Le Gorgeu, CS 93837, 29238 BREST CEDEX 3 (France); Thakur, Atul [School of Physics & Materials Science, Shoolini University, Solan, HP (India); Nanotechnology Wing, Innovative Science Research Society, Shimla 171001 (India)

    2016-06-01

    A series of cobalt substituted lithium ferrite Li{sub 0.5}Co{sub x}Fe{sub 2.5−x}O{sub 4} with x=0, 0.2, 0.4 was prepared by a chemical technique called citrate precursor method. In this technique citric acid was used as a reducing agent. Structural, morphological, topographical, optical, electrical, and magnetic properties were studied by using X-Ray Diffractometer (XRD), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Fourier Transform Infrared Spectroscopy (FTIR), Raman Spectroscopy, DC resistivity, Mössbauer Spectroscopy. XRD patterns showed characteristic (2 2 0), (3 1 1), (4 0 0), (4 2 2), (5 1 1), (4 4 0) peaks which confirmed the inverse spinel phase. SEM and TEM support the formation of cubic nanoparticles. FTIR studies reported the ferrite peaks between 400 cm{sup −1} and 800 cm{sup −1} confirming the inverse spinel structure. Five optical Raman modes (A{sub 1g}+E{sub g}+3F{sub 2g}), characteristics of the cubic spinel structure with (P4{sub 3}32) space group are also observed. Electrical DC resistivity studied from room temperature to 300 °C showed the semiconducting behavior of lithium ferrite. Porosity, transition temperature and activation energy are found to decrease with cobalt ion concentration. The room temperature Mössbauer spectra of all the samples showed normal Zeeman Splitting sextets supporting the formation of ferromagnetic phase. With increase in cobalt content, the value of hyperfine field at A site is found to vary from 53.15 to 54.96 T whereas at B site it vary from 54.79 to 52.82 T. The obtained results have been explained based on possible mechanisms, models and theories. - Highlights: • XRD studies confirmed the spinel structure. • In FTIR studies, two frequency metal oxide bands are observed. • Raman spectra confirmed the symmetric and anti-symmetric band position. • Mössbauer spectroscopy reveals the two magnetic sextets.

  6. A smoothing algorithm using cubic spline functions

    Science.gov (United States)

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

    1974-01-01

    Two algorithms are presented for smoothing arbitrary sets of data. They are the explicit variable algorithm and the parametric variable algorithm. The former would be used where large gradients are not encountered because of the smaller amount of calculation required. The latter would be used if the data being smoothed were double valued or experienced large gradients. Both algorithms use a least-squares technique to obtain a cubic spline fit to the data. The advantage of the spline fit is that the first and second derivatives are continuous. This method is best used in an interactive graphics environment so that the junction values for the spline curve can be manipulated to improve the fit.

  7. Cubic phase control of ultrashort laser pulses

    International Nuclear Information System (INIS)

    Mecseki, K.; Erdelyi, M.; Kovacs, A.P.; Szabo, G.

    2006-01-01

    Complete test of publication follows. The temporal shape of an ultrashort laser pulse may change upon propagating through a linear dispersive medium having a phase shift ψω. The change can be characterized by the Taylor-coefficients of the phase shift which are calculated around the central frequency ω 0 of the pulse. Measurements and independent control of the group delay dispersion (GDD, ψ'(ω 0 )) and the third order dispersion (TOD, ψ'(ω 0 )) are important in several research fields, particularly in the generation of ultrashort laser pulses by chirped pulse amplification (CPA) and pulse shaping for molecular control. The GDD and the TOD of an ideal pulse compressor are equal to the negative of the corresponding dispersion coefficients of the medium. However, in the case of prism-pair and grating-pair compressor is different from the ratio of the coefficients of the medium to be compensated for. Therefore it is necessary to develop so-called cubic compressors that are able to control the TOD of the pulse, yet, do not affect the GDD. In this paper a new cubic compressor setup is investigated theoretically and experimentally, which resembles the set-up proposed by White, however, we control the GDD and the TOD by the position of a birefringent, semi-cylinder crystal place around the focal point of an achromatic lens. For the evaluation of the phase shift introduced by the proposed cubic compressor, a ray tracing program was written. The program allows optimizing the compressor parameters, such as the radius of the crystal, magnification of the lens etc. Calcite was applied because it is a strong birefringent material. Calculations showed that there is a trajectory, along which shifting the crystal the TOD can be tuned independently of the GDD. The value of the TOD changed in a relatively wide range between -3.15 x 10 5 fs 3 and -1.67 x 10 5 fs 3 . Although the defocus also affects the angular dispersion of the pulse leaving the compressor, if does not exceed

  8. Testing for cubic smoothing splines under dependent data.

    Science.gov (United States)

    Nummi, Tapio; Pan, Jianxin; Siren, Tarja; Liu, Kun

    2011-09-01

    In most research on smoothing splines the focus has been on estimation, while inference, especially hypothesis testing, has received less attention. By defining design matrices for fixed and random effects and the structure of the covariance matrices of random errors in an appropriate way, the cubic smoothing spline admits a mixed model formulation, which places this nonparametric smoother firmly in a parametric setting. Thus nonlinear curves can be included with random effects and random coefficients. The smoothing parameter is the ratio of the random-coefficient and error variances and tests for linear regression reduce to tests for zero random-coefficient variances. We propose an exact F-test for the situation and investigate its performance in a real pine stem data set and by simulation experiments. Under certain conditions the suggested methods can also be applied when the data are dependent. © 2010, The International Biometric Society.

  9. Quantum corrections for the cubic Galileon in the covariant language

    Energy Technology Data Exchange (ETDEWEB)

    Saltas, Ippocratis D. [Institute of Astrophysics and Space Sciences, Faculty of Sciences, Campo Grande, PT1749-016 Lisboa (Portugal); Vitagliano, Vincenzo, E-mail: isaltas@fc.ul.pt, E-mail: vincenzo.vitagliano@ist.utl.pt [Multidisciplinary Center for Astrophysics and Department of Physics, Instituto Superior Técnico, University of Lisbon, Av. Rovisco Pais 1, 1049-001 Lisboa (Portugal)

    2017-05-01

    We present for the first time an explicit exposition of quantum corrections within the cubic Galileon theory including the effect of quantum gravity, in a background- and gauge-invariant manner, employing the field-reparametrisation approach of the covariant effective action at 1-loop. We show that the consideration of gravitational effects in combination with the non-linear derivative structure of the theory reveals new interactions at the perturbative level, which manifest themselves as higher-operators in the associated effective action, which' relevance is controlled by appropriate ratios of the cosmological vacuum and the Galileon mass scale. The significance and concept of the covariant approach in this context is discussed, while all calculations are explicitly presented.

  10. The electric field of a uniformly charged cubic shell

    Science.gov (United States)

    McCreery, Kaitlin; Greenside, Henry

    2018-01-01

    As an integrative and insightful example for undergraduates learning about electrostatics, we discuss how to use symmetry, Coulomb's law, superposition, Gauss's law, and visualization to understand the electric field E (x ,y ,z ) produced by a uniformly charged cubic shell. We first discuss how to deduce qualitatively, using freshman-level physics, the perhaps surprising fact that the interior electric field is nonzero and has a complex structure, pointing inwards from the middle of each face of the shell and pointing outwards towards each edge and corner. We then discuss how to understand the quantitative features of the electric field by plotting an analytical expression for E along symmetry lines and on symmetry surfaces of the shell.

  11. Traveling kinks in cubic nonlinear Ginzburg-Landau equations.

    Science.gov (United States)

    Rosu, H C; Cornejo-Pérez, O; Ojeda-May, P

    2012-03-01

    Nonlinear cubic Euler-Lagrange equations of motion in the traveling variable are usually derived from Ginzburg-Landau free energy functionals frequently encountered in several fields of physics. Many authors considered in the past damped versions of such equations, with the damping term added by hand simulating the friction due to the environment. It is known that even in this damped case kink solutions can exist. By means of a factorization method, we provide analytic formulas for several possible kink solutions of such equations of motion in the undriven and constant field driven cases, including the recently introduced Riccati parameter kinks, which were not considered previously in such a context. The latter parameter controls the delay of the switching stage of the kinks. The delay is caused by antikink components that are introduced in the structure of the solution through this parameter.

  12. Magnetic properties of Ising thin films with cubic lattices

    Science.gov (United States)

    Laosiritaworn, Y.; Poulter, J.; Staunton, J. B.

    2004-09-01

    We have used Monte Carlo simulations and mean-field analysis to observe the magnetic behavior of Ising thin films with cubic lattice structures as a function of temperature and thickness, especially in the critical region. Magnetization and magnetic susceptibility, including layer variation, are investigated. We find that the magnetic behavior changes from two-dimensional to three-dimensional character with increasing film thickness. Both the crossover of the critical temperature from a two-dimensional to a bulk value and the shift exponent are observed. Nevertheless, with support from a scaling function, the simulations show that the effective critical exponents for films with large enough layer extents only vary a little from their two-dimensional values. This, in particular, provides an indication of two-dimensional universality in the thin films.

  13. The crystallisation trends of spinels in tertiary basalts from Rhum and Muck and their petrogenetic significance. [chemical composition changes during crystal formation

    Science.gov (United States)

    Ridley, W. I.

    1977-01-01

    Spinels found in transitional olivine basalts from the Islands of Rhum and Muck in the British Tertiary Province are analyzed to determine their chemical variability and their relationship to silicate phases. Chemical zoning of the cores of spinels which spilled into the basaltic liquid may be due to a reaction between the spinel and the liquid resulting in more Fe- and Ti-rich spinels. In addition, a peritectic-type reaction seems to have occurred, causing the transformation of aluminum spinel to chrome spinel with precipitation of plagioclase. Changes in the basaltic liquid are reflected by these transformations in the spinel composition.

  14. The effect of k-cubic Dresselhaus spin—orbit coupling on the decay time of persistent spin helix states in semiconductor two-dimensional electron gases

    International Nuclear Information System (INIS)

    Chai Zheng; Hu Mao-Jin; Wang Rui-Qiang; Hu Liang-Bin

    2014-01-01

    We study the theoretical effect of k-cubic (i.e. cubic-in-momentum) Dresselhaus spin—orbit coupling on the decay time of persistent spin helix states in semiconductor two-dimensional electron gases. We show that the decay time of persistent spin helix states may be suppressed substantially by k-cubic Dresselhaus spin—orbit coupling, and after taking the effect of k-cubic Dresselhaus spin—orbit interaction into account, the theoretical results obtained accord both qualitatively and quantitatively with other recent experimental results. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  15. Structural, magnetic and gas sensing properties of nanosized copper ferrite powder synthesized by sol gel combustion technique

    Energy Technology Data Exchange (ETDEWEB)

    Sumangala, T.P.; Mahender, C. [Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India); Barnabe, A. [Université de Toulouse, Institut Carnot CIRIMAT – UMR CNRS-UPS-INP 5085, Université Paul Sabatier, Toulouse 31062 (France); Venkataramani, N. [Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India); Prasad, Shiva, E-mail: shiva.pd@gmail.com [Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India)

    2016-11-15

    Stoichiometric nano sized copper ferrite particles were synthesized by sol gel combustion technique. They were then calcined at various temperatures ranging from 300–800 °C and were either furnace cooled or quenched in liquid nitrogen. A high magnetisation value of 48.2 emu/g signifying the cubic phase of copper ferrite, was obtained for sample quenched to liquid nitrogen temperature from 800 °C. The ethanol sensing response of the samples was studied and a maximum of 86% response was obtained for 500 ppm ethanol in the case of a furnace cooled sample calcined at 800 °C. The chemical sensing is seen to be correlated with the c/a ratio and is best in the case of tetragonal copper ferrite. - Highlights: • One of the first study on ethanol sensing of cubic copper ferrite. • In-situ High temperature XRD done shows phase transition from cubic to tetragonal. • A non-monotonic increase in magnetization was seen with calcination temperature. • A response of 86% was obtained towards 500 ppm ethanol. • Tried to correlate sensing response and ion content in spinel structure.

  16. KINETIC TRANSFORMATION OF SPINEL TYPE LiMnLiMn2O4 INTO TUNNEL TYPE MnO2

    Directory of Open Access Journals (Sweden)

    Daud K Walanda

    2010-06-01

    Full Text Available Lithiated phase LiMn2O4 is a potential cathode material for high-energy batteries because it can be used in conjunction with suitable carbon anode materials to produce so-called lithium ion cells. The kinetic transformation of LiMn2O4 into manganese dioxide (MnO2 in sulphuric acid has been studied. It is assumed that the conversion of LiMn2O4 into R-MnO2 is a first order autocatalytic reaction. The transformation actually proceeds through the spinel l-MnO2 as an intermediate species which is then converted into gamma phase of manganese dioxide. In this reaction LiMn2O4 whose structure spinel type, which is packing between tetrahedral coordination and octahedral coordination, is converted to form octahedral tunnel structure of manganese dioxide, which is probably regarded as a reconstructive octahedral-coordination transformation. Therefore, it is a desire to investigate the transformation of manganese oxides in solid state chemistry by analysing XRD powder patterns. Due to the reactions involving solids, concentrations of reactant and product are approached with the expression of peak areas.   Keywords: high-energy battery, lithium ion cells, kinetic transformation

  17. Shape preserving rational cubic spline for positive and convex data

    Directory of Open Access Journals (Sweden)

    Malik Zawwar Hussain

    2011-11-01

    Full Text Available In this paper, the problem of shape preserving C2 rational cubic spline has been proposed. The shapes of the positive and convex data are under discussion of the proposed spline solutions. A C2 rational cubic function with two families of free parameters has been introduced to attain the C2 positive curves from positive data and C2 convex curves from convex data. Simple data dependent constraints are derived on free parameters in the description of rational cubic function to obtain the desired shape of the data. The rational cubic schemes have unique representations.

  18. Optical properties and mechanisms in Cr3+, Bi3+-codoped oxide-based spinel nanoparticles

    Science.gov (United States)

    Pellerin, Morgane; Coelho-Diogo, Cristina; Bonhomme, Christian; Touatib, Nadia; Binet, Laurent; Gourier, Didier; Ueda, Jumpei; Tanabe, Setsuhisa; Viana, Bruno; Chanéac, Corinne

    2017-02-01

    At the nanoscale, the ZnGa2O4 spinel doped with chromium (III) is an interesting material for in vivo optical imaging due to its bright red persistent luminescence after UV and visible excitation. Moreover its persistent luminescent properties can be improved with the incorporation of bismuth (III) as a co-dopant without any structure changes. The nanoparticles are synthesized by soft chemistry using microwave heating in aqueous media. These very small sized nanophosphors (around 10 nm) present interesting long lasting persistent luminescence after annealing at 1000°C and they can be excited both under UV and under visible LED excitation. In this work we try to understand the mechanisms of the persistent luminescent properties of such nanomaterials. Thermoluminescence is performed to investigate trapping and detrapping processes as well as trap distribution. The chromium local environment is studied by Electron Paramagnetic Resonance. 71Ga Nuclear Magnetic Resonance is used to get information on the gallium ions repartition (tetrahedral or octahedral site) in the structure. Comparison of optical properties versus local structure increases the understanding of the persistent luminescence mechanism and gives insights to the new modalities for their use as nanoprobes for in vivo imaging.

  19. Solving Buckmaster equation using cubic B-spline and cubic trigonometric B-spline collocation methods

    Science.gov (United States)

    Chanthrasuwan, Maveeka; Asri, Nur Asreenawaty Mohd; Hamid, Nur Nadiah Abd; Majid, Ahmad Abd.; Azmi, Amirah

    2017-08-01

    The cubic B-spline and cubic trigonometric B-spline functions are used to set up the collocation in finding solutions for the Buckmaster equation. These splines are applied as interpolating functions in the spatial dimension while the finite difference method (FDM) is used to discretize the time derivative. The Buckmaster equation is linearized using Taylor's expansion and solved using two schemes, namely Crank-Nicolson and fully implicit. The von Neumann stability analysis is carried out on the two schemes and they are shown to be conditionally stable. In order to demonstrate the capability of the schemes, some problems are solved and compared with analytical and FDM solutions. The proposed methods are found to generate more accurate results than the FDM.

  20. Pressure dependence of the refractive index of diamond, cubic silicon carbide and cubic boron nitride

    Science.gov (United States)

    Balzaretti, N. M.; da Jornada, J. A. H.

    1996-09-01

    The pressure dependence of the refractive index of diamond, cubic boron nitride and cubic silicon carbide, was measured up to 9 GPa by an interferometric method using the diamond anvil cell. A least-square fit yields the following values for ( {1}/{n}) ( {dn }/{dP }): - 3.6 × 10 -4GPa -1 for diamond, -3.2 × 10 -4GPa -1 for c-BN and, for 3CSiC, -8.3 × 10 -4GPa -1. These results were used to investigate, for the first time under pressure, general empirical relationships between refractive index and energy gap found in the literature. The volume dependence of the electronic polarizability, α, of these compounds was determined through the Lorentz-Lorenz approach. The obtained linear behavior of α for the three cases was correlated to previous results for the pressure dependence of the transverse effective charge, e T∗.

  1. Structural and electrical properties of nanometric Ni-Cu ferrites synthesized by citrate precursor method

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, M.A., E-mail: moala47@hotmail.com [Materials Science Lab (1), Physics Department, Faculty of Science, Cairo University, Giza (Egypt); Mansour, S.F. [Physics Department, Faculty of Science, Zagazig University (Egypt); Afifi, M. [Materials Science Lab (1), Physics Department, Faculty of Science, Cairo University, Giza (Egypt)

    2012-01-15

    Nanometric nickel copper ferrites Ni{sub 1-x}Cu{sub x}Fe{sub 2}O{sub 4}, 0{<=}x{<=}0.45 were prepared by the citrate precursor method. X-ray diffraction measurements confirm the formation of single phase cubic spinel structure. The lattice parameter (a) is increased with increasing Cu{sup 2+} ion substitution. The crystallite size was calculated from XRD data and compared with that obtained from TEM micrographs. A significant increase in the density is observed with increasing Cu content. The IR absorption spectra were used for the detection and confirmation of the chemical bonds in spinel ferrites. The dielectric constant {epsilon}' and dielectric loss showed a decrease with increasing frequency for all samples. The decrease in the ac conductivity was ascribed to the increase in hopping length. - Highlights: > Ni-Cu ferrite was successfully prepared using citrate auto combustion method. > The lattice parameter and the density increased with increasing Cu{sup 2+} content. > We suggest the use of Ni ferrite with large Cu{sup 2+} content in electrical devices.

  2. Structural, morphological and magnetic properties of Eu-doped CoFe2O4 nano-ferrites

    Directory of Open Access Journals (Sweden)

    Aiman Zubair

    Full Text Available Europium (Eu doped spinel cobalt ferrites having composition CoEuxFe2−xO4 where x = 0.00, 0.03, 0.06, 0.09, 0.12 were fabricated by co-precipitation route. In order to observe the phase development of the ferrite samples, thermo-gravimetric analysis was carried out. The synthesized samples were subjected to X-ray diffraction analysis for structural investigation. All the samples were found to constitute face centered cubic (FCC spinel structure belonging to Fd3m space group. Scanning electron microscopy revealed the formation of nanocrystalline grains with spherical shape. Energy dispersive X-ray spectra confirmed the presence of Co, Eu, Fe and O elements with no existence of any impurity. The magnetic hysteresis curves measured at room temperature exhibited ferrimagnetic behavior with maximum saturation magnetization (Ms of 65 emu/g and coercivity (Hc of 966 Oe. The origin of ferrimagnetism in Eu doped cobalt ferrites was discussed in detail with reverence to the allocation of Co2+ and Fe3+ ions within the spinel lattice. The overall coercivity was increased (944–966 Oe and magnetization was decreased (65–46 emu/g with the substitution of Eu3+. The enhancement of former is ascribed to the transition from multi domain to single domain state and reduction in lateral is attributed to the incorporation of nonmagnetic Eu ions for Fe, resulting in weak superexchange interactions. Keywords: Europium doped cobalt ferrites, Co-precipitation, X-ray diffraction, Scanning electron microscopy, Magnetic properties

  3. Ramsdellite-MnO2 for lithium batteries: The ramsdellite to spinel transformation

    CSIR Research Space (South Africa)

    Thackeray, MM

    1993-06-01

    Full Text Available with the lithiated ramsdellite phase. At 300°C, under vacuum, the lithiated ramsdellite phase Li0.5MnO2 transforms to the spinel LiMn2O4; at 300-400°C, in air, it oxidizes slowly and transforms to a defect spinel LiMn2O4+delta (0 < delta < = 0.5) via an intermediate...

  4. Spinels as cathodes for the electrochemical reduction of O2 and NO

    DEFF Research Database (Denmark)

    Simonsen, Vibe Louise Ernlund; Find, D.; Lilliedal, M.

    2007-01-01

    Spinels were synthesised and investigated as electro-catalyst for the electrochemical reduction of oxygen and nitric oxide using cyclic voltammetry and cone shaped electrodes. The following four spinels were investigated; CoFe2O4, NiFe2O4, CuFe2O4 and Co3O4. The composition CuFe2O4 revealed the l...

  5. Disclosure of domain structure in cubic CaxZr1-xO2-x, 0x15 ≤ x ≤ 0x20, by Talbot image enhancement of high-resolution electron micrographs

    International Nuclear Information System (INIS)

    Rossell, H.J.; Wilson, I.J.; Sellar, J.R.

    1991-01-01

    High-resolution electron microscope images have been recorded of several cystalline samples of calcia-stabilized zirconia (Ca-CSZ) and of the fluorite-related superstructure phase φ 1 (CaZr 4 O 9 ). The contrast of the CSZ images has been enhanced markedly by the light-optical Talbot self-imaging technique. Is is demonstrated that the CSZ crystals contain a coherent dispersion of microdomains approximately 30 A in diameter, and that the structure of the microdomains is that of φ 1 . (orig.)

  6. Elemental Mercury Oxidation over Fe-Ti-Mn Spinel: Performance, Mechanism, and Reaction Kinetics.

    Science.gov (United States)

    Xiong, Shangchao; Xiao, Xin; Huang, Nan; Dang, Hao; Liao, Yong; Zou, Sijie; Yang, Shijian

    2017-01-03

    The design of a high-performance catalyst for Hg 0 oxidation and predicting the extent of Hg 0 oxidation are both extremely limited due to the uncertainties of the reaction mechanism and the reaction kinetics. In this work, Fe-Ti-Mn spinel was developed as a high-performance catalyst for Hg 0 oxidation, and the reaction mechanism and the reaction kinetics of Hg 0 oxidation over Fe-Ti-Mn spinel were studied. The reaction orders of Hg 0 oxidation over Fe-Ti-Mn spinel with respect to gaseous Hg 0 concentration and gaseous HCl concentration were approximately 1 and 0, respectively. Therefore, Hg 0 oxidation over Fe-Ti-Mn spinel mainly followed the Eley-Rideal mechanism (i.e., the reaction of gaseous Hg 0 with adsorbed HCl), and the rate of Hg 0 oxidation mainly depended on Cl • concentration on the surface. As H 2 O, SO 2 , and NO not only inhibited Cl • formation on the surface but also interfered with the interface reaction between gaseous Hg 0 and Cl • on the surface, Hg 0 oxidation over Fe-Ti-Mn spinel was obviously inhibited in the presence of H 2 O, SO 2 , and NO. Furthermore, the extent of Hg 0 oxidation over Fe-Ti-Mn spinel can be predicted according to the kinetic parameter k E-R , and the predicted result was consistent with the experimental result.

  7. Evaluation of NiFe2O4 spinel, synthesized by combustion reaction, as a catalyst for selective CO oxidation

    International Nuclear Information System (INIS)

    Santos, P.T.A.; Lira, H.L.; Costa, A.C.F.M.; Gama, L.; Argolo, F.; Andrade, H.M.C.

    2009-01-01

    The selective reaction of CO oxidation (PROX) was named as the most attractive way to reduce the CO concentration, thereby purifying the hydrogen. The aim of this work is to make the structural and morphologic characterization of the NiFe 2 O 4 spinel synthesized by combustion reaction, using glycine as fuel, and to evaluate as catalyst in the reaction of selective oxidation of carbon monoxide in the presence of hydrogen, oxygen and carbon monoxide. The powder was prepared by using a vitreous silica crucible on a hot plate at 480 deg C and according to stoichiometry established by theory of propellants and explosive. The powder was characterized by X-ray diffraction (XRD), FTIR, textural analyses, transmission electron microscopy (TEM) and catalytic measurements. The results from XRD show characteristic peaks of spinel phase without presence of secondary phases. The morphologic results show surface area of 3.1 m 2 /g and particle size calculated by TEM of 21.72 nm. The catalyst was active and selective for O 2 , reaching 100% of conversion. (author)

  8. Novel calcium hexaluminate/spinel-alumina composites with graded microstructures and mechanical properties

    Science.gov (United States)

    Yi, Shuai; Huang, Zhaohui; Huang, Juntong; Fang, Minghao; Liu, Yan'gai; Zhang, Shaowei

    2014-03-01

    Calcium hexaluminate (CA6) was incorporated into the matrix of magnesio aluminate spinel-alumina (MA-A) via infiltration of a porous preform fabricated from α-Al2O3 and MgO powders with a saturated calcium acetate solution and subsequent firing, forming CA6/(MA-A) functionally composites with graded fracture toughness. Actually, the porous preform was partially and perpendicularly immersed (1/4 of its length) in the solution. Owing to the capillary action, the calcium acetate solution was absorbed into the porous preform, and the different absorption distance led to the graded solution concentration in the height direction of the porous preform. The in-situ formation of CA6 conferred graded microstructures, as well as improved mechanical properties on the resultant composites. The CA6 content decreased gradually along the solution absorption direction, i.e., from one end [CA6/(MA-A) region] immersed in solution to the other end [MA-A region], reducing evidently the formation of layered structure along the direction, while increasing gradually the formation of spherical alumina particles. The CA6/(MA-A) region had a better toughness that could prevent the crack propagation and improve the spalling resistance. Meanwhile, the MA-A region could provide structural support, because of the higher Vickers hardness and density.

  9. Tailoring the magnetic properties and magnetorheological behavior of spinel nanocrystalline cobalt ferrite by varying annealing temperature.

    Science.gov (United States)

    Sedlacik, Michal; Pavlinek, Vladimir; Peer, Petra; Filip, Petr

    2014-05-14

    Magnetic nanoparticles of spinel nanocrystalline cobalt ferrite were synthesized via the sol-gel method and subsequent annealing. The influence of the annealing temperature on the structure, magnetic properties, and magnetorheological effect was investigated. The finite crystallite size of the particles, determined by X-ray diffraction and the particle size observed via transmission electron microscopy, increased with the annealing temperature. The magnetic properties observed via a vibrating sample magnetometer showed that an increase in the annealing temperature leads to the increase in the magnetization saturation and, in contrast, a decrease in the coercivity. The effect of annealing on the magnetic properties of ferrite particles has been explained by the recrystallization process at high temperatures. This resulted in grain size growth and a decrease in an imposed stress relating to defects in the crystal lattice structure of the nanoparticles. The magnetorheological characteristics of suspensions of ferrite particles in silicone oil were measured using a rotational rheometer equipped with a magnetic field generator in both steady shear and small-strain oscillatory regimes. The magnetorheological performance expressed as a relative increase in the magnetoviscosity appeared to be significantly higher for suspensions of particles annealed at 1000 °C.

  10. The square of a planar cubic graph is 7-colorable

    DEFF Research Database (Denmark)

    Thomassen, Carsten

    2017-01-01

    We prove the conjecture made by G. Wegner in 1977 that the square of every planar, cubic graph is 7-colorable. Here, 7 cannot be replaced by 6.......We prove the conjecture made by G. Wegner in 1977 that the square of every planar, cubic graph is 7-colorable. Here, 7 cannot be replaced by 6....

  11. Approximate Implicitization of Parametric Curves Using Cubic Algebraic Splines

    Directory of Open Access Journals (Sweden)

    Xiaolei Zhang

    2009-01-01

    Full Text Available This paper presents an algorithm to solve the approximate implicitization of planar parametric curves using cubic algebraic splines. It applies piecewise cubic algebraic curves to give a global G2 continuity approximation to planar parametric curves. Approximation error on approximate implicitization of rational curves is given. Several examples are provided to prove that the proposed method is flexible and efficient.

  12. Bifurcation of limit cycles for cubic reversible systems

    Directory of Open Access Journals (Sweden)

    Yi Shao

    2014-04-01

    Full Text Available This article is concerned with the bifurcation of limit cycles of a class of cubic reversible system having a center at the origin. We prove that this system has at least four limit cycles produced by the period annulus around the center under cubic perturbations

  13. Rapid hydrothermal route to synthesize cubic-phase gadolinium ...

    Indian Academy of Sciences (India)

    Administrator

    spectrum of a given specimen (pH = 10∙8) has revealed characteristic Fg + Ag modes of cubic phase of .... using the diffraction formula relevant to cubic phase: .... ground state. The energy absorption in Gd is mediated via transition of 4 f electrons to 5d level and then reorganiza- tion of 4 f electrons into various multiplets.

  14. Cubic Polynomials with Real or Complex Coefficients: The Full Picture

    Science.gov (United States)

    Bardell, Nicholas S.

    2016-01-01

    The cubic polynomial with real coefficients has a rich and interesting history primarily associated with the endeavours of great mathematicians like del Ferro, Tartaglia, Cardano or Vieta who sought a solution for the roots (Katz, 1998; see Chapter 12.3: The Solution of the Cubic Equation). Suffice it to say that since the times of renaissance…

  15. Neutron diffraction study of temperature dependence of atom distribution in cubic zirconium carbohydrides

    International Nuclear Information System (INIS)

    Khidirov, I.; Sultanova, S.Kh.; Mukhtarova, N.N.; Mirzaev, B.B.

    2006-01-01

    Full text: Earlier we have shown that the complex distribution of interstitial atoms takes place in the crystal lattice of cubic zirconium carbohydrides prepared by self-propagating high-temperature synthesis (SHS). One of the features of SHS-synthesis of inorganic compounds is high burning temperature and fast cooling from combustion temperature after synthesis. At that, self-hardening of the prepared product takes place, and structural state of the compound can correspond to high-temperature state. But the question about distribution of interstitial atoms over the crystal structure of cubic carbohydrides at the relatively low temperatures (T 2 C; secondly, the temperature of the order - disorder transition in zirconium carbohydrides is above 1100 deg C. It is shown that unlike in Zr-C system, in cubic zirconium carbohydrides the temperature of the order - disorder transition is much higher, and over the wide homogeneity range in the temperature interval of 1000-500 deg C the formation of trigonal ordered phase is not observed. Hence, hydrogen suppresses the formation of the ordered trigonal phase, expanding temperature range of stability of the ordered cubic phase. (author)

  16. Stabilities of Cubic Mappings in Fuzzy Normed Spaces

    Directory of Open Access Journals (Sweden)

    Ghaffari Ali

    2010-01-01

    Full Text Available Rassias(2001 introduced the pioneering cubic functional equation in the history of mathematical analysis: and solved the pertinent famous Ulam stability problem for this inspiring equation. This Rassias cubic functional equation was the historic transition from the following famous Euler-Lagrange-Rassias quadratic functional equation: to the cubic functional equations. In this paper, we prove the Ulam-Hyers stability of the cubic functional equation: in fuzzy normed linear spaces. We use the definition of fuzzy normed linear spaces to establish a fuzzy version of a generalized Hyers-Ulam-Rassias stability for above equation in the fuzzy normed linear space setting. The fuzzy sequentially continuity of the cubic mappings is discussed.

  17. Rational Cubics and Conics Representation: A Practical Approach

    Directory of Open Access Journals (Sweden)

    M. Sarfraz

    2012-08-01

    Full Text Available A rational cubic spline, with one family of shape parameters, has been discussed with the view to its application in Computer Graphics. It incorporates both conic sections and parametric cubic curves as special cases. The parameters (weights, in the description of the spline curve can be used to modify the shape of the curve, locally and globally, at the knot intervals. The rational cubic spline attains parametric   smoothness whereas the stitching of the conic segments preserves visually reasonable smoothness at the neighboring knots. The curve scheme is interpolatory and can plot parabolic, hyperbolic, elliptic, and circular splines independently as well as bits and pieces of a rational cubic spline.Key Words: Computer Graphics, Interpolation, Spline, Conic, Rational Cubic

  18. Thorough XPS analyses on overlithiated manganese spinel cycled around the 3V plateau

    Energy Technology Data Exchange (ETDEWEB)

    Grissa, R. [IPREM ECP − UMR CNRS 5254, Université de Pau et des Pays de l’Adour, Hélioparc Pau-Pyrénées, 2 Avenue du Président Angot, 64053 Pau Cedex 9 (France); Martinez, H., E-mail: herve.martinez@univ-pau.fr [IPREM ECP − UMR CNRS 5254, Université de Pau et des Pays de l’Adour, Hélioparc Pau-Pyrénées, 2 Avenue du Président Angot, 64053 Pau Cedex 9 (France); Cotte, S.; Galipaud, J.; Pecquenard, B. [CNRS, Université de Bordeaux, ICMCB–UPR 9048 and Bordeaux INP, 87 Avenue du Dr. Schweitzer, F-33600 Pessac (France); Cras, F.Le [CEA LETI, 17 rue des Martyrs, F-38054 Grenoble (France); Université Grenoble Alpes, F-38000 Grenoble (France)

    2017-07-31

    Highlights: • Mn2p XPS spectra of Li{sub 1+x}Mn{sub 2-x}O{sub 4} (0 < x < 0.25) fitted with reference samples. • XPS Mn mean oxidation states agrees with XRD structural study. • Li{sub 1.2}Mn{sub 1.8}O{sub 4} thin films cycled versus lithium arounds 3 V in liquid electrolyte. • Electrochemical results (over 20 cycles) related to Mn oxidation states evolution. • Irreversible capacity explained on the basis of XPS by active material delamination. - Abstract: Lithium-rich spinel Li{sub 1.2}Mn{sub 1.8}O{sub 4} thin film electrodes operated at 3 V/Li{sup +}/Li are studied by means of X-ray photoelectron spectroscopy (XPS), mainly on the basis of the evolution of the Mn2p XPS peak during the electrode cycling. The analysis of this core peak has long been debated in literature given its complex character. Based on manganese oxide references, MnO (Mn{sup 2+}), Mn{sub 2}O{sub 3}(Mn{sup 3+}) and Li{sub 2}MnO{sub 3}(Mn{sup 4+}), we propose a deconvolution method to identify each Mn oxidation state. This method is then used for the deconvolution of Mn2p XPS peaks of bulk lithium-rich spinels Li{sub 1+x}Mn{sub 2-x}O{sub 4} (0 ≤ x ≤ 0.25) for validation before proceeding to the study of cycled Li{sub 1.2}Mn{sub 1.8}O{sub 4} thin film electrodes. Electrochemical measurements exhibit significant capacity loss during the first cycle. Based on XPS analyses, this phenomenon could be explained by mechanical breakup of parts of the electrode. A stable behavior during subsequent cycles is then observed. The presence of Mn{sup 2+} species (XPS) at the most top surface of the electrode and the significant polarization observed during the discharge illustrate the kinetical limitation of the two-phase reaction, despite the reduced thickness of the electrode material.

  19. Synthesis and characterization of nanocrystalline MgAl{sub 2}O{sub 4} spinel via modified sol–gel method

    Energy Technology Data Exchange (ETDEWEB)

    Sanjabi, S., E-mail: sohrabsanjabi@yahoo.com; Obeydavi, A.

    2015-10-05

    Highlights: • Nanocrystallines of MgAl{sub 2}O{sub 4} were synthesis by the simple, short time and inexpensive sol–gel method. • The structure properties of MgAl{sub 2}O{sub 4} nanoparticles obtained was excellent including. • The average crystallite’s sizes spinel and specific surface area were estimated about 11.07 nm and 154 m{sup 2} g{sup −1}. • The nanoparticles sizes were about 12 nm and have mesoporous structure. • MgAl{sub 2}O{sub 4} nanopowders with these structure properties are suitable as catalyst supports. - Abstract: Nanocrystallines of magnesium aluminate spinel (MgAl{sub 2}O{sub 4}) were synthesis by modified sol–gel method using aluminum nitrate, magnesium nitrate, citric acid and diethylene glycol monoethyl ether were used as precursor materials with a molar ratio Al/Mg = 2. After obtained a dry powder, the precursor was heat-treated in air at desired temperatures (700–900 °C) for 2 h. The formation nanocrystallines of MgAl{sub 2}O{sub 4} spinel were characterization by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Thermal gravimetric and differential thermal analysis (TGA/DTA), Field emission scanning electron microcopy (FESEM) with the energy dispersive X-ray spectroscopy (EDX), High resolution transmission electron microscopy (HRTEM) and specific surface area of the synthesized powders was measured with a Brunauer–Emmett–Teller (BET) apparatus using N{sub 2} adsorption. According to obtained XRD patterns the formation of single phase MgAl{sub 2}O{sub 4} completed up 700 °C. The average crystallite’s sizes increased with increasing temperature of calcination, but the specific surface area spinels decreased. The average crystallite’s sizes spinel and specific surface area at 800 °C were estimated about 11.07 nm and 154 m{sup 2} g{sup −1}, respectively. The results of FESEM analysis show that the nanoparticles shape are as spherical shape, uniform and a little agglomerated. The dimension

  20. High thermal stability of the ferrimagnetic moment in exchange biased FeO(core)/spinel(shell) nanocubes

    International Nuclear Information System (INIS)

    Hai, H T; Kura, H; Takahashi, M; Ogawa, T

    2011-01-01

    We demonstrate herein a basic approach to a new type of exchange-coupled iron oxide-based core/shell nanocubes consisting of an antiferromagnetic (AFM) core of ferrous oxide (wustite, FeO) surrounded by a ferrimagnetic (FM) shell of ferrite (spinel, γ-Fe 2 O 3 or Fe 3 O 4 ). By coupling with AFM core, effective blocking temperature of FM moments is strongly enhanced up to Neel temperature (T N = 198 K) of AFM core. This is assigned to contribution of an extra anisotropy induced by exchange bias at the interface between AFM and FM components in the nanocubes. Because of this special coupling structure, the high stability of FM moments can be achieved even at very small volume fraction of AFM with respect to FM matrix, thus significantly eliminate contribution of AFM to the magnetization of whole coupling system, suggesting a new hybrid structure for magnetic devices applications.

  1. Formation of graphene-like 2D spinel MnCo2O4 and its lithium storage properties

    DEFF Research Database (Denmark)

    Huang, Guoyong; Guo, Xueyi; Cao, Xiao

    2017-01-01

    Two-dimensional (2D) materials fulfill the requirements for fast lithium storage due to the large exposed surface area and the open shortened path for Li insertion/extraction. Novel graphene-like 2D spinel MnCo2O4 powders have been synthesized, which inherit the morphology and structure of special.......0 mAhg-1 at 0.4 Ag-1 after 200 cycles). Remarkably, the 2D layered structure is retained perfectly after 200 cycles at 0.4 Ag-1. Hence, the type of unique self-assembly metal-organic precursors could provide a flexible and general way to synthesize 2D layered metal oxides as templates for high-performance lithium...

  2. Optical characterisation of cubic silicon carbide

    International Nuclear Information System (INIS)

    Jackson, S.M.

    1998-09-01

    The varied properties of Silicon Carbide (SiC) are helping to launch the material into many new applications, particularly in the field of novel semiconductor devices. In this work, the cubic form of SiC is of interest as a basis for developing integrated optical components. Here, the formation of a suitable SiO 2 buried cladding layer has been achieved by high dose oxygen ion implantation. This layer is necessary for the optical confinement of propagating light, and hence optical waveguide fabrication. Results have shown that optical propagation losses of the order of 20 dB/cm are obtainable. Much of this loss can be attributed to mode leakage and volume scattering. Mode leakage is a function of the effective oxide thickness, and volume scattering related to the surface layer damage. These parameters have been shown to be controllable and so suggests that further reduction in the waveguide loss is feasible. Analysis of the layer growth mechanism by RBS, XTEM and XPS proves that SiO 2 is formed, and that the extent, of formation depends on implant dose and temperature. The excess carbon generated is believed to exit the oxide layer by a number of varying mechanisms. The result of this appears to be a number of stable Si-C-O intermediaries that, form regions to either depth extreme of the SiO 2 layer. Early furnace tests suggest a need to anneal at, temperatures approaching the melting point of the silicon substrate, and that the quality of the virgin material is crucial in controlling the resulting oxide growth. (author)

  3. Influence of nickel addition on structural and magnetic properties of aluminium substituted Ni-Zn ferrite nanoparticles

    Directory of Open Access Journals (Sweden)

    Donta Paramesh

    2016-09-01

    Full Text Available Ni-Zn-Al mixed ferrite nanoparticles, with general formula NixZn1-xAlFeO4 (x = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0, were synthesized by sol-gel auto combustion technique. All prepared ferrite nanoparticles were characterized by X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy, Fourier transform infrared spectroscopy and vibrating sample magnetometer. X-ray diffraction study confirmed the formation of the single phase cubic spinel structure in all ferrite samples. The crystallite size was calculated by the DebyeScherrer formula and found to be in the range 15–46 nm. The lattice constant decreased with increasing Ni2+ ion concentration. Scanning electron microscopy images clearly indicate that the particles are very small but agglomerated. Energy dispersive X-ray was used to confirm the composition of the prepared powders. Fourier transform infrared spectra showed two main absorption bands of ferrite nanoparticles, the high frequency band (ν1 around 600 cm-1 and the low frequency band (ν2 around 400 cm-1 arising from tetrahedral (A and octahedral (B interstitial sites in the spinel lattice, respectively. Vibrating sample magnetometer results reported that the saturation magnetization, remanent magnetization and magnetic moments decrease with increasing Ni2+ ion concentration.

  4. Effect of Dy3+ substitution on structural and magnetic properties of nanocrystalline Ni-Cu-Zn ferrites

    Science.gov (United States)

    Kabbur, S. M.; Ghodake, U. R.; Nadargi, D. Y.; Kambale, Rahul C.; Suryavanshi, S. S.

    2018-04-01

    Nanocrystalline Ni0.25Cu0.30Zn0.45DyxFe2-xO4 (x = 0.0, 0.025, 0.05, 0.075, 0.1 and 0.125 mol.) ferrimagnetic oxides have been synthesized by sol-gel autocombustion route. X-ray diffraction study reveals the formation of spinel cubic structure with an expansion of the unit cell by Dy addition. Bertaut method was employed to propose the site occupancy i.e. cation distribution for elements at A-tetrahedral and B-octahedral sites of spinel lattice. The intrinsic vibrational absorption bands i.e. υ1 (712-719 cm-1) and υ2 (496-506 cm-1) are observed for tetrahedral and octahedral sites respectively. The microstructural aspect confirms the formation of an average grain size (∼7-99 nm) with presence of expected elements. Magnetization studies reveal that the magnetic moments are no longer linear but exhibit canting effect due to spin frustration. The frequency dispersion spectrum of initial permeability has been explained based on grain size, saturation magnetization and anisotropy constant. Thermal hysteresis curve (initial permeability versus temperature) indicates magnetic disordering to paramagnetic state at Néel temperature (TN). High values of TN show that the present ferrite samples are cation-ordered with d-electrons contributing towards the magnetic interaction at the sublattice.

  5. Cu and Zn substituted silicon clathrates with the cubic type-II structure. Synthesis and characterization of Cs{sub 8}Na{sub 16}Cu{sub 3.8}Si{sub 132.2} and Cs{sub 8}Na{sub 16}Zn{sub 6.9}Si{sub 129.1}

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, Marion C.; Bobev, Svilen [Department of Chemistry and Biochemistry, University of Delaware, Newark, DE (United States)

    2017-12-13

    Studies in the systems Cs-Na-Cu-Si and Cs-Na-Zn-Si yielded the novel clathrates Cs{sub 8}Na{sub 16}(Cu,Si){sub 136} and Cs{sub 8}Na{sub 16}(Zn,Si){sub 136}, both with the cubic type-II structure [space group Fd anti 3m (no. 227), Pearson symbol cF160]. The structures of the title compounds were established from single-crystal X-ray diffraction methods, confirming the complete ordering of the Cs and Na guest atoms. The framework-building Si atoms are found to be randomly substituted by Cu atoms on framework site 96g, exclusively. In the structure of Cs{sub 8}Na{sub 16}(Zn,Si){sub 136}, the refinements indicate that the Zn and Si atoms co-occupy two of the three framework sites with notable preference for site 96g over site 32e. The corresponding refined compositions and unit cell parameters are as follows: Cs{sub 8}Na{sub 16}Cu{sub 3.8}Si{sub 132.2(1)} [a = 14.7583(15) Aa]; Cs{sub 8}Na{sub 16}Zn{sub 6.9}Si{sub 129.1(1)} [a = 14.7682(5) Aa], respectively. The type-II clathrates can be obtained only from experiments employing both Na and Cs, whereas work in the ternary Cs-Cu-Si, Cs-Zn-Si, Na-Cu-Si, and Na-Zn-Si systems failed to yield any clathrate phases. At the same conditions, exploratory studies in the K-Zn-Si and Rb-Zn-Si systems provided evidence that type-I clathrates are favored. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Electron channeling X-ray microanalysis for cation configuration in irradiate magnesium alimate spinel

    International Nuclear Information System (INIS)

    Matsumura, S.; Soeda, T.; Zaluzec, N. J.; Kinoshita, C.

    1999-01-01

    High angular resolution electron channeling X-ray spectroscopy (HARECXS) was examined as a practical tool to locate lattice-ions in spinel crystals. The orientation dependent intensity distribution of emitted X-rays obtained by HARECXS is so sensitive to lattice-ion configuration in the illuminated areas that the occupation probabilities on specific positions in the crystal lattice can be determined accurately through comparison with the theoretical rocking curves. HARECXS measurements have revealed partially disordered cation arrangement in MgO·nAl 2 O 3 with n = 1.0 and 2.4. Most Al 3+ lattice-ions occupy the octahedral (VIII) sites, while Mg 2 lattice-ions reside on both the tetrahedral (IV) and the octahedral (VIII) sites. The structural vacancies are enriched in the IV-sites. Further evacuation of cations from the IV-sites to the VIII-sites is recognized in a disordering process induced by irradiation with 1 MeV Ne + ions up to 8.9 dpa at 870 K

  7. Nitrophenol chemi-sensor and active solar photocatalyst based on spinel hetaerolite nanoparticles.

    Science.gov (United States)

    Khan, Sher Bahadar; Rahman, Mohammed M; Akhtar, Kalsoom; Asiri, Abdullah M; Rub, Malik Abdul

    2014-01-01

    In this contribution, a significant catalyst based on spinel ZnMn2O4 composite nanoparticles has been developed for electro-catalysis of nitrophenol and photo-catalysis of brilliant cresyl blue. ZnMn2O4 composite (hetaerolite) nanoparticles were prepared by easy low temperature hydrothermal procedure and structurally characterized by X-ray powder diffraction (XRD), field emission scanning electron microscopy (FESEM), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared (FTIR) and UV-visible spectroscopy which illustrate that the prepared material is optical active and composed of well crystalline body-centered tetragonal nanoparticles with average size of ∼ 38 ± 10 nm. Hetaerolite nanoparticles were applied for the advancement of a nitrophenol sensor which exhibited high sensitivity (1.500 µAcm(-2) mM(-1)), stability, repeatability and lower limit of detection (20.0 µM) in short response time (10 sec). Moreover, hetaerolite nanoparticles executed high solar photo-catalytic degradation when applied to brilliant cresyl blue under visible light.

  8. Opportunity of spinel ferrite materials in nonvolatile memory device applications based on their resistive switching performances.

    Science.gov (United States)

    Hu, Wei; Qin, Ni; Wu, Guangheng; Lin, Yanting; Li, Shuwei; Bao, Dinghua

    2012-09-12

    The opportunity of spinel ferrites in nonvolatile memory device applications has been demonstrated by the resistive switching performance characteristics of a Pt/NiFe(2)O(4)/Pt structure, such as low operating voltage, high device yield, long retention time (up to 10(5) s), and good endurance (up to 2.2 × 10(4) cycles). The dominant conduction mechanisms are Ohmic conduction in the low-resistance state and in the lower-voltage region of the high-resistance state and Schottky emission in the higher-voltage region of the high-resistance state. On the basis of measurements of the temperature dependence of the resistances and magnetic properties in different resistance states, we explain the physical mechanism of resistive switching of Pt/NiFe(2)O(4)/Pt devices using the model of formation and rupture of conducting filaments by considering the thermal effect of oxygen vacancies and changes in the valences of cations due to the redox effect.

  9. Radiation-induced electrical conductivity in MgAl2O4 spinel

    International Nuclear Information System (INIS)

    Pells, G.P.

    1990-12-01

    The d.c. electrical conductivity of high purity, polycrystalline MgAl 2 O 4 spinel of 99.5% theoretical density has been measured during irradiation by 18 MeV protons at reactor relevant ionization dose rates. The radiation-induced conductivity (RIC) at 200 C varied in a slightly sub-linear manner with dose rate. At temperatures between 250-350 C the RIC varied in a complex manner with the dose rate dependence being itself dose rate dependent. At higher temperatures the RIC reverted to an essentially linear variation with dose rate. The complex dose rate dependence is ascribed to the magnesium vacancy concentration introduced by the small Al 2 O 3 excess (MgO:Al 2 O = 1:1.05) and the presence of anti-structure defects producing large concentrations of intrinsic electron and hole traps. There was no evidence that the accumulation of radiation damage influenced the details of radiation-induced conductivity and MgAl 2 O 4 retained reasonable insulating properties at the highest dose rate and temperature. (author)

  10. Shape Preserving Interpolation Using C2 Rational Cubic Spline

    Directory of Open Access Journals (Sweden)

    Samsul Ariffin Abdul Karim

    2016-01-01

    Full Text Available This paper discusses the construction of new C2 rational cubic spline interpolant with cubic numerator and quadratic denominator. The idea has been extended to shape preserving interpolation for positive data using the constructed rational cubic spline interpolation. The rational cubic spline has three parameters αi, βi, and γi. The sufficient conditions for the positivity are derived on one parameter γi while the other two parameters αi and βi are free parameters that can be used to change the final shape of the resulting interpolating curves. This will enable the user to produce many varieties of the positive interpolating curves. Cubic spline interpolation with C2 continuity is not able to preserve the shape of the positive data. Notably our scheme is easy to use and does not require knots insertion and C2 continuity can be achieved by solving tridiagonal systems of linear equations for the unknown first derivatives di, i=1,…,n-1. Comparisons with existing schemes also have been done in detail. From all presented numerical results the new C2 rational cubic spline gives very smooth interpolating curves compared to some established rational cubic schemes. An error analysis when the function to be interpolated is ft∈C3t0,tn is also investigated in detail.

  11. Synthesis, structural, dielectric and magnetic properties of polyol assisted copper ferrite nano particles

    Energy Technology Data Exchange (ETDEWEB)

    Pavithradevi, S. [Assistant Professor, Department of Physics, Park College of Engineering and Technology, Coimbatore (India); Suriyanarayanan, N., E-mail: madurasuri2210@yahoo.com [Prof & Head, Department of Physics, Government College of Technology, Coimbatore (India); Boobalan, T. [Lecturer, Department of Physics, PSG Polytechnic College, Coimbatore (India)

    2017-03-15

    Nanocrystalline copper ferrite CuFe{sub 2}O{sub 4} is synthesized by co-precipitation method in ethylene glycol as chelating agent, using sodium Hydroxide as precipitator at pH 8. The as synthesized CuFe{sub 2}O{sub 4} is annealed at temperatures of 350 °C, 700 °C, and 1050 °C for 2 h respectively. The thermal analysis of the synthesized sample is done by TG technique. It is shown that at 260 °C ethylene glycol has evaporated completely and after 715 °C, spinel ferrite is formed with a cubic structure. The calculated lattice parameters are in agreement with the reported values. FTIR spectra of CuFe{sub 2}O{sub 4} nano particles are as synthesized and annealed at 1050 °C and recorded between 400 cm{sup −1} and 4000 cm{sup −1}. It shows that when the temperature increases ethylene glycol gradually evaporates. Finally, nano crystalline single phase spinel ferrite is obtained. X-ray diffraction (XRD) and electron diffraction (EDS) studies show that the sample is indexed as the face centered cubic spinel structure. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) indicated that the particles are flaky and spherical with the crystallite size in the range of 25–34 nm. From the dielectric studies, the dielectric constant decreases as the frequency increases. Low value of dielectric loss at higher frequencies suggests that the material is suitable for high frequency applications. AC conductivity increases with frequency. The magnetic properties of the samples are measured using a vibrating sample magnetometer (VSM) at room temperature, which shows that the sample exhibited a typical super paramagnetic behavior at low temperature. The saturation magnetization, remanant magnetism, and coercivity increases with applied field. - Highlights: • Complete removal of hematite phase along with ethylene glycol at 1050 °C. • Large decrease in particle sizes noticed along with ethylene glycol. • Ethylene glycol improves purity of the

  12. Cubic helimagnets in magnetic field and at pressure

    International Nuclear Information System (INIS)

    Maleyev, S.V.

    2009-01-01

    Cubic helimagnets with B20 structure display several unusual properties such as anisotropy of the spin-wave spectrum al small momenta q, rotation of the helix vector k in magnetic field and quantum phase transition at pressure. We demonstrate that first two phenomena are a result of umklapp processes mixing excitations with momenta q, q+k and q-k. At very low magnetic field perpendicular to k the helical structure remains stable due to spin-wave gap Δ. Its square is sum of two parts. The first one is a result of the magnon interaction and the second negative part stems from magneto-elastic interaction. It is suggested that competition between these parts leads to the quantum phase transition observed in MnSi and FeGe. For MnSi from rough estimations at ambient pressure was shown that both parts are comparable with the experimentally observed gap. The magneto-elastic interaction is also responsible for 2k modulation of the lattice and contributes to the magnetic anisotropy. Experimental observation by X-ray and neutron scattering of this lattice modulation allows to determine the strength of the magneto-elastic interaction responsible for above phenomena and the lattice helicity

  13. Hyperfine interactions in the cubic semiconductor CdO

    International Nuclear Information System (INIS)

    Desimoni, J.; Bibiloni, A.G.; Massolo, C.P.; Renteria, M.

    1990-01-01

    The time-differential perturbed angular correlation technique has been applied using 111 In probes, which decay through electron capture to 111 Cd, to study the hyperfine interaction in cubic cadmium oxide, in the temperature range RT--740 degree C (RT denotes room temperature). The main fraction of probes are located in perfect-lattice sites, with null electric field gradient in agreement with crystalline-structure considerations. Around 25% of the total intensity shows an electric-field-gradient distribution around V zz =0. This corresponds to probes located in sites perturbed by the vicinity of oxygen vacancies in the lattice. The temperature-independent behavior of the measured hyperfine parameters is discussed in terms of conductivity and band-structure properties of the semiconductor. No time-dependent interaction arising from nuclear electron-capture aftereffects are seen in this experiment. This is in agreement with a previously reported model of aftereffect processes which states that only holes trapped in impurity levels inside the band gap of the semiconductor can give rise to detectable fluctuating interactions

  14. Hyperfine interactions in the cubic semiconductor CdO

    Energy Technology Data Exchange (ETDEWEB)

    Desimoni, J.; Bibiloni, A.G.; Massolo, C.P.; Renteria, M. (Departamento de Fisica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Casilla de Correo No. 67, 1900 La Plata, Argentina (AR))

    1990-01-15

    The time-differential perturbed angular correlation technique has been applied using {sup 111}In probes, which decay through electron capture to {sup 111}Cd, to study the hyperfine interaction in cubic cadmium oxide, in the temperature range RT--740 {degree}C (RT denotes room temperature). The main fraction of probes are located in perfect-lattice sites, with null electric field gradient in agreement with crystalline-structure considerations. Around 25% of the total intensity shows an electric-field-gradient distribution around {ital V}{sub {ital zz}}=0. This corresponds to probes located in sites perturbed by the vicinity of oxygen vacancies in the lattice. The temperature-independent behavior of the measured hyperfine parameters is discussed in terms of conductivity and band-structure properties of the semiconductor. No time-dependent interaction arising from nuclear electron-capture aftereffects are seen in this experiment. This is in agreement with a previously reported model of aftereffect processes which states that only holes trapped in impurity levels inside the band gap of the semiconductor can give rise to detectable fluctuating interactions.

  15. Bare and boron-doped cubic silicon carbide nanowires for electrochemical detection of nitrite sensitively.

    Science.gov (United States)

    Yang, Tao; Zhang, Liqin; Hou, Xinmei; Chen, Junhong; Chou, Kuo-Chih

    2016-04-25

    Fabrication of eletrochemical sensors based on wide bandgap compound semiconductors has attracted increasing interest in recent years. Here we report for the first time electrochemical nitrite sensors based on cubic silicon carbide (SiC) nanowires (NWs) with smooth surface and boron-doped cubic SiC NWs with fin-like structure. Multiple techniques including scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and electron energy loss spectroscopy (EELS) were used to characterize SiC and boron-doped SiC NWs. As for the electrochemical behavior of both SiC NWs electrode, the cyclic voltammetric results show that both SiC electrodes exhibit wide potential window and excellent electrocatalytic activity toward nitrite oxidation. Differential pulse voltammetry (DPV) determination reveals that there exists a good linear relationship between the oxidation peak current and the concentration in the range of 50-15000 μmoL L(-1) (cubic SiC NWs) and 5-8000 μmoL L(-1) (B-doped cubic SiC NWs) with the detection limitation of 5 and 0.5 μmoL L(-1) respectively. Compared with previously reported results, both as-prepared nitrite sensors exhibit wider linear response range with comparable high sensitivity, high stability and reproducibility.

  16. Formation and stability of cubic ice in water droplets.

    Science.gov (United States)

    Murray, Benjamin J; Bertram, Allan K

    2006-01-07

    There is growing evidence that a metastable phase of ice, cubic ice, plays an important role in the Earth's troposphere and stratosphere. Cubic ice may also be important in diverse fields such as cryobiology and planetary sciences. Using X-ray diffraction, we studied the formation of cubic ice in pure water droplets suspended in an oil matrix as a function of droplet size. The results show that droplets of volume median diameter 5.6 microm froze dominantly to cubic ice with stacking faults. These results support previous suggestions that cubic ice is the crystalline phase that nucleates when pure water droplets freeze homogeneously at approximately 235 K. It is also shown that as the size of the water droplets increased from 5.6 to 17.0 microm, the formation of the stable phase of ice, hexagonal ice, was favoured. This size dependence can be rationalised with heat transfer calculations. We also investigated the stability of cubic ice that forms in water droplets suspended in an oil matrix. We observe cubic ice up to 243 K, much higher in temperature than observed in many previous studies. This result adds to the existing literature that shows bulk ice I(c) can persist up to approximately 240 K. The transformation of cubic ice to hexagonal ice also showed a complex time and temperature dependence, proceeding rapidly at first and then slowing down and coming to a halt. These combined results help explain why cubic ice forms in some experiments described in the literature and not others.

  17. Ternary cubic forms and central simple algebras of degree 3

    OpenAIRE

    Raczek, Mélanie

    2007-01-01

    Fix a ground field F of characteristic neither 2 nor 3 and consider pairs (A,V) consisting of a degree 3 central simple F-algebra A and a 3-dimensional subspace V of the reduced trace zero elements of A which is totally isotropic for the trace quadratic form. Mapping an element of V to its cube defines a cubic form. This thesis is devoted to the classification of such cubic pairs - i.e. the description of a representative of each isomorphism class of cubic pairs - and the study of the associa...

  18. Pengaruh Variasi Temperatur Hidrotermal Pada Sintesis Lithium Mangan Oksida (Limn2o4 Spinel Terhadap Efisiensi Adsorpsi Dan Desorpsi Ion Lithium Dari Lumpur Sidoarjo

    Directory of Open Access Journals (Sweden)

    Yusuf Kurniawan

    2014-09-01

    Full Text Available Perkembangan teknologi dalam bidang material menunjukkan perkembangan yang sangat pesat dalam beberapa tahun terakhir.Salah satu material yang sangat dibutuhkan dalam berbagai aplikasi adalah lithium. Lithium sendiri bisa didapatkan dari air laut brines dan geothermal fluid. Salah satunya adalah Lumpur Sidoarjo. Lithium Mangan Oksida Spinel digunakan sebagai material absorben karena murah, tidak beracun dan mudah didapatkan. Pada penelitian ini metode hidrotermal digunakan sebagai metode sintesis pada LiMn2O4 karena dapat dilakukan pada temperatur yang relatif rendah dan menghasilkan partikel yang lebih homogen. Metode hidrotermal dilakukan pada temperatur 160 oC, 180 oC dan 200 oC selama 24 jam. Pengujian XRD dilakukan untuk mengetahui struktur kristal. Pengujian SEM dilakukan untuk mengetahui morfologi material setelah proses hidrotermal. Pengujian BET dilakukan untuk mengetahui surface area. Setelah itu metode acid treatment dilakukan untuk proses adsorpsi dan desorpsi. Adsorpsi dilakukan dengan mencelupkan Lithium Mangan Oksida Spinel yang telah disintesis kedalam Lumpur Sidoarjo.Pengujian ICP dilakukan untuk mengetahui kandungan lithium yang terdapat pada Lumpur Sidoarjo sebelum dan sesudah adsorpsi untuk mengetahui jumlah lithium yang terserap.Pengujian desorpsi dilakukan dengan mencelupkan LiMn2O4 kedalam larutan HCL. Pada uji XRD menunjukkan bahwa LiMn2O4 berstruktur kristal cubic. Dari hasil uji SEM terlihat bahwa tidak banyak perbedaan morfologi pada ketiga variasi.Partikel cenderung membentuk aglomerasi. Pada hasil uji ICP menunjukkan bahwa LiMn2O4 dengan temperatur hidrotermal 160oC memiliki efisiensi adsorpsi paling tinggi dengan 6,775 ppm. Sementara untuk desorpsi yang paling tinggi adalah 200oC sebesar 0.081 ppm

  19. An experimental study on the transformation kinetics of spinel lherzolite to garnet lherzolite

    Science.gov (United States)

    Nagayoshi, M.; Kubo, T.; Kato, T.

    2011-12-01

    The phase transformation from spinel lherzolite to garnet lherzolite occurs at around 2.0 GPa in the upper mantle. In this transformation, spinel reacts with pyroxenes to form garnet. Previous studies have reported the reaction textures of natural peridotite samples (e.g., Obata and Morten, 1987), the phase boundary of this transformation from high-pressure experiments (e.g., Walter et al., 2002), and the behavior of the plates affected by this transformation (e.g., Simon and Podladchikov, 2008). In spite of many studies on this transformation, the reaction kinetics has been poorly known and it is difficult to discuss time-dependent processes of the transformation. In order to study the kinetics of this reaction, we conducted the high-pressure experiments in the garnet lherzoltite stability field (3.2 GPa and 1000-1200°C for 0.6-30 hours) with a spinel single crystal embedded into powder mixture of orthopyroxene and clinopyroxene. Starting materials were the crystals from San Carlos mantle xenolith. In some experiments, spinel surface was deposited by platinum and half of the spinel was covered with powdered olivine to examine the Kirkendall effect. Microstructural observations of recovered samples revealed that garnet reaction rim was formed between single crystalline spinel and polycrystalline pyroxenes. The width of garnet reaction rim (x)t linearly increased with the square root of time t and the kinetics of garnet growth can be described by [x(t)]2 = 1.3×10-8m2s-1exp(-188kJmol-1/RT)t, based on the diffusion-controlled growth mechanism. This is much faster than the lattice diffusion coefficients of divalent species in garnet previously reported (e.g., Ganguly et al., 1998). Platinum markers were found to be located at the spinel-garnet interface, suggesting that the garnet reaction rim grew toward the pyroxene region, and the slowest diffusion species was Si4+. We experimentally reproduced the formation of corona texture developed around spinel core with

  20. Ab Initio High Pressure and Temperature Investigation on Cubic PbMoO3 Perovskite

    Science.gov (United States)

    Dar, Sajad Ahmad; Srivastava, Vipul; Sakalle, Umesh Kumar

    2017-12-01

    A combined high pressure and temperature investigation on recently reported cubic perovskite PbMoO3 have been performed within the most accurate density functional theory (DFT). The structure was found stable in cubic paramagnetic phase. The DFT calculated analytical and experimental lattice constant were found in good agreement. The analytical tolerance factor as well as the elastic properties further verifies the cubic stability for PbMoO3. The spin polarized electronic band structure and density of states presented metallic nature with symmetry in up and down states. The insignificant magnetic moment also confirms the paramagnetic nature for the compound. The high pressure elastic and mechanical study up to 35 GPa reveal the structural stability of the material in this pressure range. The compound was found to establish a ductile nature. The electrical conductivity obtained from the band structure results show a decreasing trend with increasing temperature. The temperature dependence of thermodynamic parameters such as specific heat ( C v), thermal expansion ( α) has also been evaluated.

  1. Natural oxidation of InN quantum dots: the role of cubic InN

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, David; Lozano, Juan G.; Herrera, Miriam; Garcia, Rafael [Departamento de Ciencia de los Materiales e Ingenieria Metalurgica y Quimica Inorganica, Universidad de Cadiz, Apdo. 40, E-11510 Puerto Real (Cadiz) (Spain); Browning, Nigel D. [Department of Chemical Engineering and Materials Science, University of California-Davis, One Shields Ave, Davis, CA 95616 (United States); Chemistry, Materials and Life Sciences Directorate, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94550 (United States); Ruffenach, Sandra; Briot, Olivier

    2010-01-15

    The natural aging process occured in indium nitride quantum dots (QDs) heterostructures as a consequence of exposure to the atmosphere has been studied by means of transmission electron microscopy and electron beam related techniques. The comparison between GaN-capped and uncapped InN QDs kept at room conditions during 36 months indicates the structural changes that take place. While the capping layer seems to act in a protective way avoiding any change in the QDs, the uncapped structures suffer a series of phase transformations, where the original wurtzite structure is replaced by a layer of cubic phases. The main constituent of this layer is shown to be bcc-In{sub 2}O{sub 3} formed by the substitution of the nitrogen atoms by oxygen from the atmosphere. This supposes a transformation from a hexagonal to a cubic structure, explained by the existence of an oxygen-rich cubic InN acting as an intermediate phase. The difference in the formation enthalpy between the original and the final product, together with the good match between the crystals would explain this transformation that shows the high instability of InN at environmental conditions. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Helium release from metals with face-centered cubic structure

    International Nuclear Information System (INIS)

    Sciani, V.; Lucki, G.; Jung, P.

    1984-01-01

    The helium release from gold sheets of 5 and 54 μm of thickness and helium concentrations from 10 -9 to 10 -5 ap of He during the isothermal and linear annealing is studied. The helium was put in the sample through the implantation of alpha particles, with variable energy,in the cyclotron. The free diffusion of the atoms of the helium, where the diffusion coefficient follows an Arrhenius law is studied. (E.G.) [pt

  3. Structural properties of Cd–Co ferrites

    Indian Academy of Sciences (India)

    optical recording and electronic devices. (Gaikwad et al 2011). The structural, electrical and magnetic properties of these spinel ferrites are dependent on magnetic interaction and distribution of cations among tetrahedral (A) and octahedral (B) ...

  4. Structural, spectral, dielectric and magnetic properties of Tb–Dy doped Li-Ni nano-ferrites synthesized via micro-emulsion route

    Energy Technology Data Exchange (ETDEWEB)

    Junaid, Muhammad, E-mail: junaid.malik95@yahoo.com [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan); Khan, Muhammad Azhar, E-mail: azhar.khan@iub.edu.pk [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan); Iqbal, F. [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan); Murtaza, Ghulam [Centre for Advanced Studies in Physics, Government College University, Lahore 54000 (Pakistan); Akhtar, Majid Niaz; Ahmad, Mukhtar [Department of Physics, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Shakir, Imran [Deanship of scientific research, College of Engineering, King Saud University, PO Box 800, Riyadh 11421 (Saudi Arabia); Warsi, Muhammad Farooq [Department of Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan)

    2016-12-01

    Terbium (Tb) and dysprosium (Dy) doped lithium-nickel nano-sized ferrites (Li{sub 0.2}Ni{sub 0.8}Tb{sub 0.5x}Dy{sub 0.5x}Fe{sub 2−x}O{sub 4} where x=0.00−0.08) were prepared by micro-emulsion technique. The X-ray diffraction (XRD) patterns confirmed the single phase cubic spinel structure. The lattice constant was increased due to larger ionic radii of Tb{sup 3+} and Dy{sup 3+} cations. The crystallite size was found in the range 30–42 nm. The FTIR (Fourier transform infrared spectroscopy) spectra revealed two significant absorption bands (~400–600 cm{sup −1}) which indicate the formation of cubic spinel structure. The peaking behavior of dielectric parameters was observed beyond 1.5 GHz. The dielectric constant and dielectric loss were found to decrease by the increase of Tb–Dy contents and frequency. The doping of Tb and Dy in Li–Ni ferrites led to increase the coercive field (120–156 Oe). The smaller magnetic and dielectric parameters suggested the possible utility of these nano-materials in switching and microwave devices applications. - Highlights: • Li{sub 0.2}Ni{sub 0.8}Tb{sub 0.5x}Dy{sub 0.5x}Fe{sub 2-x}O{sub 4} ferrites were synthesized by micro-emulsion route. • Tb and Dy addition improves coercivity while decreased saturation magnetization. • These nanomaterials can be useful in microwave and switching devices applications.

  5. Spinel Li{sub 2}CoTi{sub 3}O{sub 8} nanometer obtained for application as pigment; Espinela Li{sub 2}CoTi{sub 3}O{sub 8} nanometrica obtenida para aplicacion como pigmento

    Energy Technology Data Exchange (ETDEWEB)

    Costa de Camara, M. S.; Alves Pimentel, L.; Longo, E.; Nobrega Azevedo, L. da; Araujo Melo, D. M. de

    2016-05-01

    Pigments are used in ceramics, cosmetics, inks, and other applications widely materials. To this must be single and easily reproducible. Moreover, the pigments obtained in the nanoscale are more stable, reproducible and highlight color in small amounts compared with those obtained in micrometer scale. The mixed oxides with spinel structures AB{sub 2}O{sub 4} have important applications, including: pigments, refractories, catalytic and electronic ceramics. In this context, the aim of this work was the preparation of powder Li{sub 2}CoTi{sub 3}O{sub 8} spinel phase with nanometer particle size of the polymeric precursor method (Pechini) and characterization by means of thermal analysis (TG/DTA) X-ray diffraction (XRD), refined by the Rietveld method, BET, transmission electron microscopy (TEM), Raman and colorimetric coordinates. The pigment was obtained by heat treatment of 400 degree centigrade to 1000 degree centigrade after pyrolysis at 300 degree centigrade/1 h for removing the organic material. Li{sub 2}CoTi{sub 3}O{sub 8} desired spinel phase was obtained from 500 degree centigrade, and presenting stability nanometer to about 1.300 degree centigrade. Spinel green phase introduced at temperatures in the range of 400 degree centigrade and 500 degree centigrade, and 600 degree centigrade at temperatures between blue and 1000 degree centigrade. (Author)

  6. Monotonicity preserving splines using rational cubic Timmer interpolation

    Science.gov (United States)

    Zakaria, Wan Zafira Ezza Wan; Alimin, Nur Safiyah; Ali, Jamaludin Md

    2017-08-01

    In scientific application and Computer Aided Design (CAD), users usually need to generate a spline passing through a given set of data, which preserves certain shape properties of the data such as positivity, monotonicity or convexity. The required curve has to be a smooth shape-preserving interpolant. In this paper a rational cubic spline in Timmer representation is developed to generate interpolant that preserves monotonicity with visually pleasing curve. To control the shape of the interpolant three parameters are introduced. The shape parameters in the description of the rational cubic interpolant are subjected to monotonicity constrained. The necessary and sufficient conditions of the rational cubic interpolant are derived and visually the proposed rational cubic Timmer interpolant gives very pleasing results.

  7. Cubic interaction vertices for fermionic and bosonic arbitrary spin fields

    Science.gov (United States)

    Metsaev, R. R.

    2012-06-01

    Using the light-cone gauge approach to relativistic field dynamics, we study arbitrary spin fermionic and bosonic fields propagating in flat space of dimension greater than or equal to four. Generating functions of parity invariant cubic interaction vertices for totally symmetric and mixed-symmetry massive and massless fields are obtained. For the case of totally symmetric fields, we derive restrictions on the allowed values of spins and the number of derivatives. These restrictions provide a complete classification of parity invariant cubic interaction vertices for totally symmetric fermionic and bosonic fields. As an example of application of the light-cone formalism, we obtain simple expressions for the Yang-Mills and gravitational interactions of massive arbitrary spin fermionic fields. For some particular cases, using our light-cone cubic vertices, we discuss the corresponding manifestly Lorentz invariant and on-shell gauge invariant cubic vertices.

  8. On the Rank of Elliptic Curves in Elementary Cubic Extensions

    Directory of Open Access Journals (Sweden)

    Rintaro Kozuma

    2015-01-01

    Full Text Available We give a method for explicitly constructing an elementary cubic extension L over which an elliptic curve ED:y2+Dy=x3  (D∈Q∗ has Mordell-Weil rank of at least a given positive integer by finding a close connection between a 3-isogeny of ED and a generic polynomial for cyclic cubic extensions. In our method, the extension degree [L:Q] often becomes small.

  9. Data interpolation using rational cubic Ball spline with three parameters

    Science.gov (United States)

    Karim, Samsul Ariffin Abdul

    2016-11-01

    Data interpolation is an important task for scientific visualization. This research introduces new rational cubic Ball spline scheme with three parameters. The rational cubic Ball will be used for data interpolation with or without true derivative values. Error estimation show that the proposed scheme works well and is a very good interpolant to approximate the function. All graphical examples are presented by using Mathematica software.

  10. The Combinatorial Rigidity Conjecture is False for Cubic Polynomials

    DEFF Research Database (Denmark)

    Henriksen, Christian

    2003-01-01

    We show that there exist two cubic polynomials with connected Julia sets which are combinatorially equivalent but not topologically conjugate on their Julia sets. This disproves a conjecture by McMullen from 1995.......We show that there exist two cubic polynomials with connected Julia sets which are combinatorially equivalent but not topologically conjugate on their Julia sets. This disproves a conjecture by McMullen from 1995....

  11. The Boolean Algebra of Cubical Areas as a Tensor Product in the Category of Semilattices with Zero

    Directory of Open Access Journals (Sweden)

    Nicolas Ninin

    2014-10-01

    Full Text Available In this paper we describe a model of concurrency together with an algebraic structure reflecting the parallel composition. For the sake of simplicity we restrict to linear concurrent programs i.e. the ones with no loops nor branching. Such programs are given a semantics using cubical areas. Such a semantics is said to be geometric. The collection of all these cubical areas enjoys a structure of tensor product in the category of semi-lattice with zero. These results naturally extend to fully fledged concurrent programs up to some technical tricks.

  12. 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.

  13. Evolution of spin wave excitations with Co-doping in the spinel MnV2O4

    Science.gov (United States)

    Hahn, Steven; Ma, Jie; Lee, Jun Hee; Hong, Tao; Cao, Huibo; Aczel, Adam; Dun, Zhiling; Stone, Matthew; Tian, Wei; Qiu, Yiming; Copley, John; Zhou, Haidong; Fishman, Randy; Matsuda, Masaaki

    2015-03-01

    Spin waves were measured at several levels of Co-doping in the spinel system MnV2O4 by inelastic neutron scattering and analyzed with first-principles-guided spin models. Co-doping creates a rich phase diagram encompassing the transition from localized- to itinerant-electron regimes. Increasing Co concentration weakens the single-ion anisotropy and increases both the magnitude and isotropy of the nearest-neighbor exchange interactions. First principles calculations emphasize the the distinctly different microscopic origins of the two-in-two-out magnetic structure at the Mn-rich and Co-rich limits. Research at HFIR and SNS, ORNL, were sponsored by the Scientific User Facilities Division and Materials Science and Engineering Division, Office of Basic Energy Sciences, US Department of Energy.

  14. Low-pH-induced transformation of bilayer membrane into bicontinuous cubic phase in dioleoylphosphatidylserine/monoolein membranes.

    Science.gov (United States)

    Okamoto, Yoshihide; Masum, Shah Md; Miyazawa, Haruna; Yamazaki, Masahito

    2008-04-01

    Cubic biomembranes, nonbilayer membranes with connections in three-dimensional space that have a cubic symmetry, have been observed in various cells. Interconversion between the bilayer liquid-crystalline (L(alpha)) phase and cubic phases attracted much attention in terms of both biological and physicochemical aspects. Herein we report the pH effect on the phase and structure of dioleoylphosphatidylserine (DOPS)/monoolein (MO) membranes under a physiological ion concentration condition, which was revealed by small-angle X-ray scattering (SAXS) measurement. At neutral pH, DOPS/MO membranes containing high concentrations of DOPS were in the L(alpha) phase. First, the pH effect on the phase and structure of the multilamellar vesicles (MLVs) of the DOPS/MO membranes preformed at neutral pH was investigated by adding various low-pH buffers into the MLV suspension. For 20%-DOPS/80%-MO MLVs, at and below pH 2.9, a transition from the L(alpha) to cubic (Q(224)) phase occurred within 1 h. This phase transition was reversible; a subsequent increase in pH to a neutral one in the membrane suspension transformed the cubic phase into the original L(alpha) phase. Second, we found that a decrease in pH transformed large unilamellar vesicles of DOPS/MO membranes into the cubic phase under similar conditions. We have proposed the mechanism of the low-pH-induced phase transition and also made a quantitative analysis on the critical pH of the phase transition. This finding is the first demonstration that a change in pH can induce a reversible phase transition between the L(alpha) and cubic phases of lipid membranes within 1 h.

  15. Cubic Phase Formation in Phospholipid and PEG-Lipid Mixtures

    Science.gov (United States)

    Murley, Kimberly; Cunningham, Beth; Wolfe, David; Williams, Patrick

    2005-03-01

    Lipid systems modeling cell membranes are capable of self-assembling into various liquid crystal mesophases with varying geometry and dimensions. We have suggested that it is possible to engineer the lipid systems through the incorporation of covalently attached polymer lipids to produce unique effects. The results of this engineering process include both the stabilization of lipid phases that normally exist over very limited temperature ranges and the induction of novel phases that are not normally present in the parent lipid. In this study, we used x-ray diffraction and NMR to investigate the phase behavior of the DOPE:PEG:MO and MO:PEG:D2O systems with varying molar ratios and PEG sizes. The phase diagram which we have generated indicates the conditions necessary to induce specific phase structures and sizes into three-dimensional cubic lipid systems. This information may be useful to create nanostructures which will be valuable in applications such as protein crystallization and protein biochip development.

  16. Arsenic mediated reconstructions on cubic (001) GaN

    Energy Technology Data Exchange (ETDEWEB)

    Feuillet, G.; Hamaguchi, H.; Ohta, K.; Hacke, P.; Okumura, H.; Yoshida, S. [Electrotechnical Laboratory, 1-1-4 Umezono, Tsukuba, Ibaraki, 305 (Japan)

    1997-02-01

    The 4{times}1 (respectively 1{times}1) (001) GaN surfaces obtained when molecular-beam-epitaxy (MBE) growth is carried out on (001) cubic SiC were exposed to an As background pressure in the MBE chamber: The reconstructions rapidly and irreversibly changed to 2{times}2 [respectively {ital c}(2{times}2)] as usually observed for GaN growth on (001) GaAs. The usual reversible 2{times}2/{ital c}(2{times}2) transitions were consequently observed when bringing the Ga flux up or down. The respective positions for the 4{times}1/1{times}1 and 2{times}2/{ital c}(2{times}2) transitions were worked out as a function of the growth parameters. These observations indicate that the 2{times}2 and {ital c}(2{times}2) GaN surface reconstructions are mediated by As atoms which we tentatively assign to a surfactant effect. A simple structural model involving As dimers is proposed that accounts for Ga coverages of 0.5 and 1 monolayer for the 2{times}2 and {ital c}(2{times}2) growth regimes, respectively. {copyright} {ital 1997 American Institute of Physics.}

  17. Serial femtosecond crystallography of soluble proteins in lipidic cubic phase

    Energy Technology Data Exchange (ETDEWEB)

    Fromme, Raimund; Ishchenko, Andrii; Metz, Markus; Chowdhury, Shatabdi Roy; Basu, Shibom; Boutet, Sébastien; Fromme, Petra; White, Thomas A.; Barty, Anton; Spence, John C. H.; Weierstall, Uwe; Liu, Wei; Cherezov, Vadim

    2015-08-04

    Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) enables high-resolution protein structure determination using micrometre-sized crystals at room temperature with minimal effects from radiation damage. SFX requires a steady supply of microcrystals intersecting the XFEL beam at random orientations. An LCP–SFX method has recently been introduced in which microcrystals of membrane proteins are grown and delivered for SFX data collection inside a gel-like membrane-mimetic matrix, known as lipidic cubic phase (LCP), using a special LCP microextrusion injector. Here, it is demonstrated that LCP can also be used as a suitable carrier medium for microcrystals of soluble proteins, enabling a dramatic reduction in the amount of crystallized protein required for data collection compared with crystals delivered by liquid injectors. High-quality LCP–SFX data sets were collected for two soluble proteins, lysozyme and phycocyanin, using less than 0.1 mg of each protein.

  18. 200 MeV Ag+15 ion irradiation-induced modifications in structural, magnetic and dielectric properties of nanoparticles of Cu0.2Zn0.8Fe2O4 ferrite

    Science.gov (United States)

    Dolia, S. N.; Sharma, P. K.; Samariya, Arvind; Pareek, S. P.; Prasad, Arun S.; Dhawan, M. S.; Kumar, Sudhish; Asokan, K.

    2013-08-01

    The present investigation aims at studying the effect of swift heavy ion irradiation on the structural, magnetic and dielectric properties of the nanocrystalline Cu0.2Zn0.8Fe2O4 spinel ferrite. The sample was synthesised using the sol-gel technique and then irradiated with the 200 MeV Ag+15 ion beam. The Rietveld profile refinement of the X-ray diffraction patterns confirmed the cubic spinel structure of samples. The spherical morphology revealed through transmission electron microscopy images was consistent with the crystalline diameter. The overall magnetic behaviour pointed towards superparamagnetic relaxation at room temperature along with the significant increase in saturation magnetisation, coercivity and blocking temperature after irradiation. This could be attributed to the slight increase in the particle size and ion-induced modifications on the surface states of the nanoparticles. The enhancement in dielectric constant and loss tangent after irradiation could be attributed to the available Fe+2 ↔ Fe+3 and/or Zn+2 ↔ Zn+3 ion polarisation at the octahedral site, especially on grain boundaries of the sample.

  19. Effect of calcination temperature of a copper ferrite synthesized by a sol-gel method on its structural characteristics and performance as Fenton catalyst to remove gallic acid from water.

    Science.gov (United States)

    López-Ramón, María V; Álvarez, Miguel A; Moreno-Castilla, Carlos; Fontecha-Cámara, María A; Yebra-Rodríguez, África; Bailón-García, Esther

    2018-02-01

    A copper ferrite synthesized by a sol-gel combustion method was calcined at different temperatures up to 800°C, determining changes in its structural characteristics and magnetic measurements and studying its catalytic performance in gallic acid removal by Fenton reaction. The main objective was to study the effect of the calcination temperature of copper ferrite on its crystalline phase formation and transformation, activity and metal ion leaching. The cubic-to-tetragonal transformation of the spinel occurred via its reaction with the CuO phase, displacing Fe 3+ ions in B (octahedral) sites out of the spinel structure by the following reaction: 2Fe 3+ B +3CuO→Fe 2 O 3 +3Cu 2+ B . The catalysts showed superparamagnetic or substantial superparamagnetic behaviour. At higher calcination temperatures, catalyst activity was lower, and Cu ion leaching was markedly decreased. There was no Fe ion leaching with any catalyst. The as-prepared catalyst showed better catalytic performance than a commercial copper ferrite. Leached Cu ions acted as homogeneous catalysts, and their contribution to the overall removal mechanism was examined. Cu 2 O present in the as-prepared catalysts made only a small contribution to their activity. Finally, the reutilization of various catalysts was studied by performing different catalytic cycles. Copyright © 2017 Elsevier Inc. All rights reserved.

  20. Effect on the structural, DC resistivity and magnetic properties of Zr and Cu co-SubstitutedNi0.5Zn0.5Fe2O4using sol-gel auto-combustion method

    Science.gov (United States)

    Jalaiah, K.; Vijaya Babu, K.; Chandra mouli, K.; Subba Rao, P. S. V.

    2018-04-01

    The Zr and Cu co-substituted Ni0.5Zn0.5Fe2O4 ferrite nanoparticles have been synthesized by the sol-gel auto combustion method. The XRD patterns confirmed single phase cubic spinel structure for present ferrite systems. The substitution of co-dopants in the spinel structure initially decreases the lattice parameter from x = 0.00 to 0.08 and thereafter increases and the same tendency reflecting in cell volume. The DC resistivity was initially increased later followed the decreasing trend; however the drift mobility of all ferrite samples appears to be in opposite phenomenon to DC resistivity. The saturation magnetization and net magnetic moments of all ferrite samples are decreasing with increasing dopant concentration. The coercive field and Y-K angles are increased with dopant concentration. The initial permeability of all samples is decreased with increasing dopant concentration. The Q-Factor for all samples shows the narrow frequency band with increasing frequency.