WorldWideScience

Sample records for rh metal states

  1. Structure of a Rh/TiO2 catalyst in the strong metal-support interaction state as determined by EXAFS

    International Nuclear Information System (INIS)

    Koningsberger, D.C.; Martens, J.H.A.; Prins, R.; Short, D.R.; Sayers, D.E.

    1986-01-01

    Reduction of a highly dispersed 2.85 wt% Rh/TiO 2 catalyst at 473 K after previous calcination at 623 K resulted in EXAFS whose primary contributions are due to nearest rhodium (average coordination number of 3.1 and distance of 2.67 A) and oxygen neighbors (coordination 2.5 and distance 2.71 A). These oxygen neighbors originated at the metal-support interface. The average rhodium-rhodium coordination number did not change in the SMSI state produced by reducing the catalyst at 673 K. However, the average coordination distance contracted by 0.04 A with an accompanying decrease of the Debye-Waller factor of the Rh-Rh bond of 0.0012 A 2 . This is due to the fact that in the SMSI state the surface of the metal particles is not covered with chemisorbed hydrogen. The SMSI state leads to a structural reorganization of the support in the vicinity of the rhodium metal particles. This can be concluded from the appearance of a Rh-Ti bond at 3.42 A in the SMSI state coupled with the fact that the average coordination number of the rhodium-support oxygen bonds does not increase. Other types of rhodium-oxygen bonds could not be detected with EXAFS in this state. Thus, these results provide no evidence for coverage of the metal particle by a suboxide of TiO 2 in the SMSI state

  2. Electronic Structure of the fcc Transition Metals Ir, Rh, Pt, and Pd

    DEFF Research Database (Denmark)

    Andersen, O. Krogh

    1970-01-01

    We give a complete description of a relativistic augmented-plane-wave calculation of the band structures of the paramagnetic fcc transition metals Ir, Rh, Pt, and Pd. The width and position of the d band decrease in the sequence Ir, Pt, Rh, Pd; and N(EF)=13.8,23.2,18.7, and 32.7 (states/atom)/Ry,......We give a complete description of a relativistic augmented-plane-wave calculation of the band structures of the paramagnetic fcc transition metals Ir, Rh, Pt, and Pd. The width and position of the d band decrease in the sequence Ir, Pt, Rh, Pd; and N(EF)=13.8,23.2,18.7, and 32.7 (states....../atom)/Ry, respectively. Spin-orbit coupling is important for all four metals and the coupling parameter varies by 30% over the d bandwidth. Detailed comparisons with de Haas—van Alphen Fermi-surface dimensions have previously been presented and the agreement was very good. Comparison with measured electronic specific...

  3. The Design, Synthesis and Study of Mixed-Metal Ru,Rh and Os, Rh Complexes with Biologically Relevant Reactivity

    OpenAIRE

    Wang, Jing

    2013-01-01

    A series of mixed-metal bimetallic complexes [(TL)2M(dpp)RhCl2(TL)]3 (M = Ru and Os, terminal ligands (TL) = phen, Ph2phen, Me2phen and bpy, terminal ligands (TL) = phen, bpy and Me2bpy ), which couple one Ru or Os polyazine light absorber (LA) to a cis-RhIIICl2 center through a dpp bridging ligand (BL), were synthesized using a building block method. These are related to previously studied trimetallic systems [{(TL)2M(dpp)2RhCl2]5+, but the bimetallics are synthetically more complex to prepa...

  4. Energy transfer and photochemistry on a metal surface: Mo(CO)6 on Rh(100)

    International Nuclear Information System (INIS)

    Germer, T.A.; Ho, W.

    1989-01-01

    The occurrence of photoinduced reactions on solid surfaces depends on the relative rates between the excited-state decomposition and the energy transfer to the surface. In this study, the photodecomposition of Mo(CO) 6 on Rh(100) at 90 K by 325-nm UV irradiation has been studied as a function of coverage and surface preparation using thermal desorption spectroscopy, electron energy-loss spectroscopy, and photoinduced desorption spectroscopy. It is found that Mo(CO) 6 adsorbs dissociatively on Rh(100) into carbonyl fragments and CO in the first monolayer and molecularly in multilayers. Photoinduced desorption of CO is observed for the multilayers adsorbed onto the dissociated first layer via a nonthermal electronic excitation of adsorbed metal carbonyls. The presence of the metal surface prevents complete decarbonylation as in the gas phase; deexcitation of electronically excited carbonyls is not sufficiently fast to quench all the observed photochemistry. It is also found that Mo(CO) 6 adsorbs molecularly on a presaturated CO ordered overlayer on Rh(100) and undergoes photodissociation to a greater degree than on the dissociated and disordered surface of carbonyl fragments. The ordered CO layer effectively screens the interaction between the molecular carbonyls and the Rh(100) layer surface

  5. An unconventional metallic state in YbRh sub 2 (Si sub 1 sub - sub x Ge sub x) sub 2 - a high pressure study

    CERN Document Server

    Mederle, S; Geibel, C; Grosche, F M; Sparn, G; Trovarelli, O; Steglich, F

    2002-01-01

    We present a detailed pressure study of the electrical resistivity rho(T) and the specific heat C(T) of the non-Fermi-liquid (NFL) compound YbRh sub 2 Si sub 2 and of rho(T) for a single crystal in which 5 at.% of Si is replaced by isoelectronic Ge. The magnetic phase diagram is deduced up to p approx = 2.5 GPa. A comparison of the effects of the volume change introduced by doping and/or by hydrostatic pressure will be given. We show that the NFL behaviour observed in rho(T) as well as the magnetic phase diagram are not influenced by the disorder introduced by alloying.

  6. Successful synthesis and thermal stability of immiscible metal Au-Rh, Au-Ir andAu-Ir-Rh nanoalloys

    Science.gov (United States)

    Shubin, Yury; Plyusnin, Pavel; Sharafutdinov, Marat; Makotchenko, Evgenia; Korenev, Sergey

    2017-05-01

    We successfully prepared face-centred cubic nanoalloys in systems of Au-Ir, Au-Rh and Au-Ir-Rh, with large bulk miscibility gaps, in one-run reactions under thermal decomposition of specially synthesised single-source precursors, namely, [AuEn2][Ir(NO2)6], [AuEn2][Ir(NO2)6] х [Rh(NO2)6]1-х and [AuEn2][Rh(NO2)6]. The precursors employed contain all desired metals ‘mixed’ at the atomic level, thus providing significant advantages for obtaining alloys. The observations using high-resolution transmission electron microscopy show that the nanoalloy structures are composed of well-dispersed aggregates of crystalline domains with a mean size of 5 ± 3 nm. Еnergy dispersive x-ray spectroscopy and x-ray powder diffraction (XRD) measurements confirm the formation of AuIr, AuRh, AuIr0.75Rh0.25, AuIr0.50Rh0.50 and AuIr0.25Rh0.75 metastable solid solutions. In situ high-temperature synchrotron XRD (HTXRD) was used to study the formation mechanism of nanoalloys. The observed transformations are described by the ‘conversion chemistry’ mechanism characterised by the primary development of particles comprising atoms of only one type, followed by a chemical reaction resulting in the final formation of a nanoalloy. The obtained metastable nanoalloys exhibit essential thermal stability. Exposure to 180 °C for 30 h does not cause any dealloying process.

  7. Magnetic behavior in heterometallic one-dimensional chains or octanuclear complex regularly aligned with metal-metal bonds as -Rh-Rh-Pt-Cu-Pt

    Science.gov (United States)

    Uemura, Kazuhiro

    2018-06-01

    Heterometallic one-dimensional chains, [{Rh2(O2CCH3)4}{Pt2Cu(piam)4(NH3)4}]n(PF6)2n (1 and 2, piam = pivalamidate) and [{Rh2(O2CCH3)4}{Pt2Cu(piam)4(NH3)4}2](CF3CO2)2(ClO4)2·2H2O (3), are paramagnetic one-dimensional chains or octanuclear complexes that are either aligned as -Rh-Rh-Pt-Cu-Pt- (1 and 2) or as Pt-Cu-Pt-Rh-Rh-Pt-Cu-Pt (3) with metal-metal bonds. Compounds 1-3 have rare structures, from the standpoint of that the paramagnetic species of Cu atoms are linked by direct metal-metal bonds. Magnetic susceptibility measurements for 1-3 performed at temperatures of 2 K-300 K indicated that the unpaired electrons localize in the Cu 3dx2-y2 orbitals, where S = 1/2 Cu(II) atoms are weakly antiferromagnetically coupled with J = -0.35 cm-1 (1), -0.47 cm-1 (2), and -0.45 cm-1 (3).

  8. Synthesis of Pd and Rh metal nanoparticles in the interlayer space of organically modified montmorillonite

    International Nuclear Information System (INIS)

    Patel, Hasmukh A.; Bajaj, Hari C.; Jasra, Raksh Vir

    2008-01-01

    This study reports the synthesis of palladium and rhodium metal nanoparticles supported on montmorillonite (MMT) and partially organically modified MMT (POMM) using tetraamine palladium and hexaamine rhodium complex as precursor for palladium and rhodium respectively. The synthesized nanoparticles were characterized by powder X-ray diffraction PXRD and TEM. The PXRD study shows characteristic crystallographic planes for Pd and Rh metal and confirm the formation of metal nanoparticles in MMT and POMM. The TEM images reveal the effect of organic modification of MMT on decreasing particle size of Pd and Rh metal. The Pd and Rh metal nanoparticles are agglomerated in pristine MMT while nanoparticles are well dispersed in POMM. ICP-AES analysis was carried out to estimate quantitative amount of Pd and Rh metal in MMT and POMM

  9. Exchange coupling in metallic multilayers with a top FeRh layer

    Energy Technology Data Exchange (ETDEWEB)

    Yamada, S., E-mail: yamada@ee.es.osaka-u.ac.jp; Kanashima, T.; Hamaya, K., E-mail: hamaya@ee.es.osaka-u.ac.jp [Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531 (Japan); Tanikawa, K. [Department of Electronics, Kyushu University, 744 Motooka, Fukuoka 819-0395 (Japan); Hirayama, J. [Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531 (Japan); Department of Electronics, Kyushu University, 744 Motooka, Fukuoka 819-0395 (Japan); Taniyama, T. [Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan)

    2016-05-15

    We study magnetic properties of metallic multilayers with FeRh/ferromagnet interfaces grown by low-temperature molecular beam epitaxy. Room-temperature coercivity of the ferromagnetic layers is significantly enhanced after the growth of FeRh, proving the existence of the exchange coupling between the antiferromagnetic FeRh layer and the ferromagnetic layer. However, exchange bias is not clearly observed probably due to the presence of disordered structures, which result from the lattice strain at the FeRh/ferromagnet interfaces due to the lattice mismatch. We infer that the lattice matched interface between FeRh and ferromagnetic layers is a key parameter for controlling magnetic switching fields in such multilayer systems.

  10. [Bifunctional chelates of Rh-105, Au-199, and other metallic radionuclides as potential radiotherapeutic agents

    International Nuclear Information System (INIS)

    1991-01-01

    Progress during this period is reported under the following headings: Diethylenetriamine based and related bifunctional chelating agents and their complexation with Rh-105, Au-198, Pd-109, cu-67, In-111, and Co-57; studies of Pd-109, Rh-105 and Tc-99m with bifunctional chelates based on phenylenediamine; establishment of an appropriate protein assay method for conjugated proteins; studies of new bifunctional Bi, Tri and tetradentate amine oxime ligands with Rh-105; IgG and antibody B72.3 conjugation studies by HPLC Techniques with bifunctional metal chelates; and progress on ligand systems for Au(III)

  11. [Bifunctional chelates of Rh-105, Au-199, and other metallic radionuclides as potential radiotherapeutic agents

    Energy Technology Data Exchange (ETDEWEB)

    1991-12-31

    Progress during this period is reported under the following headings: Diethylenetriamine based and related bifunctional chelating agents and their complexation with Rh-105, Au-198, Pd-109, cu-67, In-111, and Co-57; studies of Pd-109, Rh-105 and Tc-99m with bifunctional chelates based on phenylenediamine; establishment of an appropriate protein assay method for conjugated proteins; studies of new bifunctional Bi, Tri and tetradentate amine oxime ligands with Rh-105; IgG and antibody B72.3 conjugation studies by HPLC Techniques with bifunctional metal chelates; and progress on ligand systems for Au(III).

  12. (Bifunctional chelates of Rh-105, Au-199, and other metallic radionuclides as potential radiotherapeutic agents)

    Energy Technology Data Exchange (ETDEWEB)

    1991-01-01

    Progress during this period is reported under the following headings: Diethylenetriamine based and related bifunctional chelating agents and their complexation with Rh-105, Au-198, Pd-109, cu-67, In-111, and Co-57; studies of Pd-109, Rh-105 and Tc-99m with bifunctional chelates based on phenylenediamine; establishment of an appropriate protein assay method for conjugated proteins; studies of new bifunctional Bi, Tri and tetradentate amine oxime ligands with Rh-105; IgG and antibody B72.3 conjugation studies by HPLC Techniques with bifunctional metal chelates; and progress on ligand systems for Au(III).

  13. Quasi-two-dimensional Fermi-liquid state in Sr2RhO4-δ

    International Nuclear Information System (INIS)

    Nagai, Ichiro; Shirakawa, Naoki; Umeyama, Norio; Ikeda, Shin-ichi

    2010-01-01

    Single crystals of layered perovskite Sr 2 RhO 4-δ (δ=0.0 and 0.1) are successfully grown by the floating-zone method. Stoichiometric single crystals (Sr 2 RhO 4.0 ) are obtained by O 2 -annealing the as-grown crystals (Sr 2 RhO 3.9 ). Sr 2 RhO 4.0 and Sr 2 RhO 3.9 show quasi-two-dimensional Fermi-liquid behavior at low temperatures, whereas there are large differences in the anisotropy of electrical resistivity ρ c (3 K)/ρ ab (3 K) and Wilson ratio R w between Sr 2 RhO 4.0 and Sr 2 RhO 3.9 : ρ c (3 K)/ρ ab (3 K)=2400 (19000) and R w =3.8 (6.4) for Sr 2 RhO 4.0 (Sr 2 RhO 3.9 ). The differences observed between the temperature dependence of the in-plane electrical resistivity (T 2 RhO 4.0 and Sr 2 RhO 3.9 are mainly derived from those between the density of states and band structure near the corresponding Fermi level. This indicates that the changes in these physical properties, which are accompanied by oxygen defects in the Sr 2 RhO 4-δ system, can be explained by the rigid band model. Moreover, these results suggest that t 2g band-filling can be controlled by adjusting the oxygen defect content δ in the Sr 2 RhO 4-δ system. Although many similarities are observed in this study between the physical properties of Sr 2 RhO 4.0 and Sr 2 RuO 4 . Sr 2 RhO 4.0 does not exhibit superconductivity down to 36 mK. (author)

  14. Molecular structures and excited states of CpM(CO)(2) (Cp = eta(5)-C(5)H(5); M = Rh, Ir) and [Cl(2)Rh(CO)(2)](-). Theoretical evidence for a competitive charge transfer mechanism.

    Science.gov (United States)

    Hu, Zhenming; Boyd, Russell J; Nakatsuji, Hiroshi

    2002-03-20

    Molecular structures and excited states of CpM(CO)(2) (Cp = eta(5)-C(5)H(5); M = Rh, Ir) and [Cl(2)Rh(CO)(2)](-) complexes have been investigated using the B3LYP and the symmetry-adapted cluster (SAC)/SAC-configuration interaction (SAC-CI) theoretical methods. All the dicarbonyl complexes have singlet ground electronic states with large singlet-triplet separations. Thermal dissociations of CO from the parent dicarbonyls are energetically unfavorable. CO thermal dissociation is an activation process for [Cl(2)Rh(CO)(2)](-) while it is a repulsive potential for CpM(CO)(2). The natures of the main excited states of CpM(CO)(2) and [Cl(2)Rh(CO)(2)](-) are found to be quite different. For [Cl(2)Rh(CO)(2)](-), all the strong transitions are identified to be metal to ligand CO charge transfer (MLCT) excitations. A significant feature of the excited states of CpM(CO)(2) is that both MLCT excitation and a ligand Cp to metal and CO charge transfer excitation are strongly mixed in the higher energy states with the latter having the largest oscillator strength. A competitive charge transfer excited state has therefore been identified theoretically for CpRh(CO)(2) and CpIr(CO)(2). The wavelength dependence of the quantum efficiencies for the photoreactions of CpM(CO)(2) reported by Lees et al. can be explained by the existence of two different types of excited states. The origin of the low quantum efficiencies for the C-H/S-H bond activations of CpM(CO)(2) can be attributed to the smaller proportion of the MLCT excitation in the higher energy states.

  15. Half metallic ferromagnetism in tri-layered perovskites Sr{sub 4}T{sub 3}O{sub 10}(T = Co, Rh)

    Energy Technology Data Exchange (ETDEWEB)

    Ghimire, Madhav Prasad, E-mail: ghimire.mpg@gmail.com [Faculty of Science, Nepal Academy of Science and Technology, P. O. Box 3323, Khumaltar, Lalitpur (Nepal); International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, Tsukuba 305-0044 (Japan); Thapa, R. K.; Sandeep [Department of Physics, Mizoram University, Aizawl 796-004 (India); Rai, D. P. [Department of Physics, Pachhunga University College, Aizawl 796-001 (India); Sinha, T. P. [Department of Physics, Bose Institute, Kolkata 700-009 (India); Hu, Xiao [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, Tsukuba 305-0044 (Japan)

    2015-02-14

    First-principles density functional theory (DFT) is used to investigate the electronic and magnetic properties of Sr{sub 4}Rh{sub 3}O{sub 10}, a member of the Ruddlesden-Popper series. Based on the DFT calculations taking into account the co-operative effect of Coulomb interaction (U) and spin-orbit couplings (SOC), Sr{sub 4}Rh{sub 3}O{sub 10} is found to be a half metallic ferromagnet (HMF) with total magnetic moment μ{sub tot} = 12 μ{sub B} per unit cell. The material has almost 100% spin-polarization at the Fermi level despite of sizable SOC. Replacement of Rh atom by the isovalent Co atom is considered. Upon full-replacement of Co, a low-spin to intermediate spin transition happens resulting in a HMF state with the total magnetic moment three-time larger (i.e., μ{sub tot} = 36 μ{sub B} per unit cell), compared to Sr{sub 4}Rh{sub 3}O{sub 10}. We propose Sr{sub 4}Rh{sub 3}O{sub 10} and Sr{sub 4}Co{sub 3}O{sub 10} as candidates of half metals.

  16. Pressure-induced structural transition and thermodynamic properties of RhN2 and the effect of metallic bonding on its hardness

    International Nuclear Information System (INIS)

    Liu Jun; Kuang Xiao-Yu; Wang Zhen-Hua; Huang Xiao-Fen

    2012-01-01

    The elastic constant, structural phase transition, and effect of metallic bonding on the hardness of RhN 2 under high pressure are investigated through the first-principles calculation by means of the pseudopotential plane-wave method. Three structures are chosen to investigate for RhN 2 , namely, simple hexagonal P6/mmm (denoted as SH), orthorhombic Pnnm (marcasite), and simple tetragonal P4/mbm (denoted as ST). Our calculations show that the SH phase is energetically more stable than the other two phases at zero pressure. On the basis of the third-order Birch—Murnaghan equation of states, we find that the phase transition pressures from an SH to a marcasite structure and from a marcasite to an ST structure are 1.09 GPa and 354.57 GPa, respectively. Elastic constants, formation enthalpies, shear modulus, Young's modulus, and Debye temperature of RhN 2 are derived. The calculated values are, generally speaking, in good agreement with the previous theoretical results. Meanwhile, it is found that the pressure has an important influence on physical properties. Moreover, the effect of metallic bonding on the hardness of RhN 2 is investigated. This is a quantitative investigation on the structural properties of RhN 2 , and it still awaits experimental confirmation. (condensed matter: structural, mechanical, and thermal properties)

  17. IBFA description of high-spin positive-parity states in Rh isotopes

    International Nuclear Information System (INIS)

    Bucurescu, D.; Cata, G.; Cutoiu, D.; Constantinescu, G.; Ivascu, M.; Zamfir, N.V.

    1985-01-01

    Properties of the odd-mass Rh isotopes are investigated in the framework of the interacting boson-fermion approximation (IBFA) model in which the odd proton moves in the 1gsub(9/2) and 2dsub(5/2) orbitals. Lifetimes of some high-spin positive-parity states in 99 Rh obtained by the recoil-distance method with the 88 Sr( 14 N,3n) reaction are also reported. Calculated excitation energies and electromagnetic properties of the high-spin positive-parity states are compared with experiment and an acceptable agreement is obtained. (orig.)

  18. Gallium-containing Heusler phases ScRh{sub 2}Ga, ScPd{sub 2}Ga, TmRh{sub 2}Ga and LuRh{sub 2}Ga. Magnetic and solid state NMR-spectroscopic characterization

    Energy Technology Data Exchange (ETDEWEB)

    Heletta, Lukas; Seidel, Stefan; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Benndorf, Christopher [Leipzig Univ. (Germany). Inst. fuer Mineralogie, Kristallographie und Materialwissenschaften; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Sao Paulo Univ., Sao Carlos (Brazil). Inst. of Physics

    2017-10-01

    The gallium-containing Heusler phases ScRh{sub 2}Ga, ScPd{sub 2}Ga, TmRh{sub 2}Ga and LuRh{sub 2}Ga have been synthesized by arc-melting of the elements followed by different annealing sequences to improve phase purity. The samples have been studied by powder X-ray diffraction. The structures of Lu{sub 0.97}Rh{sub 2}Ga{sub 1.03} (Fm3m, a=632.94(5) pm, wR2=0.0590, 46 F{sup 2} values, seven variables) and Sc{sub 0.88}Rh{sub 2}Ga{sub 1.12} (a=618.91(4) pm, wR2=0.0284, 44 F{sup 2} values, six variables) have been refined from single crystal X-ray diffractometer data. Both gallides show structural disorder through Lu/Ga and Sc/Ga mixing. Temperature dependent magnetic susceptibility measurements showed Pauli paramagnetism for ScRh{sub 2}Ga, ScPd{sub 2}Ga, and LuRh{sub 2}Ga and Curie-Weiss paramagnetism for TmRh{sub 2}Ga. {sup 45}Sc and {sup 71}Ga solid state MAS NMR spectroscopic investigations of the Sc containing compounds confirmed the site mixing effects typically observed for Heusler phases. The data indicate that the effect of mixed Sc/Ga occupancy is significantly stronger in ScRh{sub 2}Ga than in ScPd{sub 2}Ga.

  19. Theoretical Studies on Electronic States of Rh-C60. Possibility of a Room-temperature Organic Ferromagnet

    Directory of Open Access Journals (Sweden)

    K. Yamaguchi

    2004-08-01

    Full Text Available A possible mechanism for a ferromagnetic interaction in the rhombic (Rh formof C60 (Rh-C60 is suggested on the basis of theoretical studies in relation to cage distortionof the C60 unit in the polymerized 2D-plane. Band structure calculations on Rh-C60 showthat cage distortion leads to competition between diamagnetic and ferromagnetic states,which give rise to the possibility of thermally populating the ferromagnetic state.

  20. Pt-Rh/g Al2O3 Influence of Catalyst Preparation Methods on Metallic Particle Dispersion and Size Distribution

    Directory of Open Access Journals (Sweden)

    N.M. da Fonseca

    1998-06-01

    Full Text Available - Pt-Rh/Al2O3 catalysts were prepared by successive incipient impregnations or coimpregnation. Characterization was achieved by H2 chemisorption and transmission electron microscopy. It was verified that method of preparation, ratio of metal weights and sequence of deposition are factors that result in very distinct catalysts.

  1. Reactions of laser-ablated Co, Rh, and Ir with CO: Infrared spectra and density functional calculations of the metal carbonyl molecules, cations and anions in solid neon

    International Nuclear Information System (INIS)

    Zhou, M.; Andrews, L.

    1999-01-01

    Laser ablation produces metal atoms, cations, and electrons for reaction with CO during condensation in excess neon at 4 K. Infrared spectra are observed for the metal carbonyls, cations, and anions, which are identified from isotopic shifts ( 13 CO, C 18 O) and splittings using mixed isotopic precursors. Density functional calculations with pseudopotentials for Rh and Ir predict the observed carbonyl stretching frequencies within 1--2%. This characterization of the simple RhCO + , RhCO, and RhCO - (and Ir) species over a 350 cm -1 range provides a scale for comparison of larger catalytically active Rh and Ir carbonyl complexes in solution and on surfaces to estimate charge on the metal center. This work provides the first spectroscopic characterization of Rh and Ir carbonyl cations and anions except for the stable tetracarbonyl anions in solution

  2. Metal-metal bonding and aromaticity in [M2(NHCHNH)3]2 (μ-E)2 (E = O, S; M = Nb, Mo, Tc, Ru, Rh).

    Science.gov (United States)

    Yan, Xiuli; Meng, Lingpeng; Sun, Zheng; Li, Xiaoyan

    2016-02-01

    The nature of M-M bonding and aromaticity of [M2(NHCHNH)3]2(μ-E)2 (E = O, S; M = Nb, Mo, Tc, Ru, Rh) was investigated using atoms in molecules (AIM) theory, electron localization function (ELF), natural bond orbital (NBO) and molecular orbital analysis. These analyses led to the following main conclusions: in [M2(NHCHNH)3]2(μ-E)2 (E = O, S; M = Nb, Mo, Tc, Ru, Rh), the Nb-Nb, Ru-Ru, and Rh-Rh bonds belong to "metallic" bonds, whereas Mo-Mo and Tc-Tc drifted toward the "dative" side; all these bonds are partially covalent in character. The Nb-Nb, Mo-Mo, and Tc-Tc bonds are stronger than Ru-Ru and Rh-Rh bonds. The M-M bonds in [M2(NHCHNH)3]2(μ-S)2 are stronger than those in [M2(NHCHNH)3]2(μ-O)2 for M = Nb, Mo, Tc, and Ru. The NICS(1)ZZ values show that all of the studied molecules, except [Ru2(NHCHNH)3]2(μ-O)2, are aromaticity molecules. O-bridged compounds have more aromaticity than S-bridged compounds. Graphical Abstract Left Molecular graph, and right electron localization function (ELF) isosurface of [M2(NHCHNH)3]2(μ-E)2(E = O, S; M = Nb, Mo, Tc, Ru, Rh).

  3. FREQUENCY AND DISTRIBUTION OF ABO & RH BLOOD GROUP IN BILASPUR DISTRICT OF CHHATTISGARH STATE : A STUDY FROM MEDICAL COLLEGE HOSPITAL

    Directory of Open Access Journals (Sweden)

    Bhanu Pratap

    2015-07-01

    Full Text Available BACKGROUND : Approximate 30 blood group systems have discovered and more than 400 erythrocytes antigens are identified. Blood group ABO and Rh are most important among all other blood group systems in transfusion service practices. The frequency of four major blood gr oup s namely A, B, O, AB with Rh Positive and Negative varies in different population of the world and differ also in region and race wise. MATERIAL AND METHOD : This 5 years retrospective study was conducted at Blood Bank of a Medical college Hospital of Bi laspur in Northern Chhattisgarh, catering the 1/3 population of state. Data were collected from the Blood Bank Grouping record from the period of January 2010 to December 2014. Blood group of blood donors and patients were determined by Monoclonal Anti Ser a by slide agglutinations tests. Rare case and difficult case were examined by test tube agglutination method and Matrix Gel System of Tulip. RESULT AND CONCLUSIO N: 31973 subjects were examined for blood group during observation period, Out of these 31092( 97.25% were male and 881 (2.75% were female. The frequency of blood group B in these populations was 11007 (34.42% (33.36% Rh Positive and 1.06% Rh Negative Followed by O were 10864 (33.97% (33.33% Rh Positive and 0.64% Rh Negative, A was 9113 (28.50 % (27.99 % Rh Positive and 0.51% Rh Negative and AB was 989 (3.11% (3.01% Rh Positive and 0.1% Rh Negative. Rhesus group Rh Positive were 31242 (97.7 % and Rh Negative were 731 (2.3 %.

  4. Rh Incompatibility

    Science.gov (United States)

    ... type is called Rh. Rh factor is a protein on red blood cells. Most people are Rh-positive; they have Rh factor. Rh-negative people don't have it. Rh factor is inherited though genes. When you're pregnant, blood from your baby can cross into your ...

  5. XANES and XMCD studies of FeRh and CoRh nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Smekhova, A; Wilhelm, F; Rogalev, A [European Synchrotron Radiation Facility, Grenoble Cedex 9, 38043 (France); Atamena, N; Ciuculescu, D; Amiens, C [Laboratoire de Chimie de Coordination, UPR 8241-CNRS, Toulouse Cedex 04, 31077 (France); Lecante, P, E-mail: smeal@esrf.f [Centre d' Elaboration de Materiaux et d' Etudes Structurales, UPR 8011-CNRS, Toulouse Cedex 04, 31055 (France)

    2010-01-01

    Element-selective magnetic properties of new core-shell bimetallic MRh (M=Fe or Co) nanoparticles (NP{sub S}) of 50/50 composition with either M-Rh or Rh-M core/shell order and an average diameter of {approx}2 nm have been investigated by X-ray Absorption Spectroscopy (XANES) and X-Ray Magnetic Circular Dichroism (XMCD) technique. XANES spectra at the Rh L{sub 2,3} edges exhibit the same characteristic features for all systems having the Rh metal enriched shell. XMCD experiments at the same edges have shown that 4d states of Rh atoms acquire a magnetic moment as a result of hybridization with iron or cobalt 3d states. As expected the value of this induced moment depends on the 3d transition metal and on the core/shell chemical order in the nanoparticle.

  6. Trends Analysis of rhBMP Utilization in Single-Level Posterior Lumbar Interbody Fusion in the United States.

    Science.gov (United States)

    Lao, Lifeng; Cohen, Jeremiah R; Buser, Zorica; Brodke, Darrel S; Youssef, Jim A; Park, Jong-Beom; Yoon, S Tim; Wang, Jeffrey C; Meisel, Hans-Joerg

    2017-10-01

    Retrospective study. Recombinant human bone morphogenetic protein-2 (rhBMP-2) has been widely used in spinal fusion surgery, but there is little information on rhBMP-2 utilization in single-level posterior lumbar interbody fusion (PLIF). The purpose of our study was to evaluate the trends and demographics of rhBMP-2 utilization in single-level PLIF. Patients who underwent single-level PLIF from 2005 to 2011 were identified by searching ICD-9 diagnosis and procedure codes in the PearlDiver Patient Records Database, a national database of orthopedic insurance records. The year of procedure, age, gender, and region of the United States were recorded for each patient. Results were reported for each variable as the incidence of procedures identified per 100 000 patients searched in the database. A total of 2735 patients had single-level PLIF. The average rate of single-level PLIF with rhBMP-2 maintained at a relatively stable level (28% to 31%) from 2005 to 2009, but decreased in 2010 (9.9%) and 2011 (11.8%). The overall incidence of single-level PLIF without rhBMP-2 (0.68 cases per 100 000 patients) was statistically higher ( P level PLIF with rhBMP-2 (0.21 cases per 100 000 patients). The average rate of single-level PLIF with rhBMP-2 utilization was the highest in West (30.1%), followed by Midwest (26.9%), South (20.5%), and Northeast (17.8%). The highest incidence of single-level PLIF with rhBMP-2 was observed in the age group level PLIF. There was a 3-fold increase in the rate of PLIF without rhBMP-2 compared to PLIF with rhBMP-2, with both procedures being mainly done in patients less than 65 years of age.

  7. Phase stability, magnetic, electronic, half-metallic and mechanical properties of a new equiatomic quaternary Heusler compound ZrRhTiIn: A first-principles investigation

    Science.gov (United States)

    Wang, Jia-Xing; Chen, Z. B.; Gao, Y. C.

    2018-05-01

    In this manuscript, we have studied the electronic, magnetic, half-metallic and mechanical properties of a new Zr-based equiatomic quaternary Heusler (EQH) compound, ZrRhTiIn using first-principles calculations. The generalized gradient approximation (GGA) calculation results imply that at its equilibrium lattice constant of 6.70 Å, ZrRhTiIn is a half-metallic material (HMM) with a considerable band gap (Ebg) of 0.530 eV and a spin-filter/half-metallic band-gap (EHM) of 0.080 eV in the minority-spin channel. For ZrRhTiIn, the formation energy of -2.738 eV and the cohesive energy of 21.38 eV indicate that it is a thermodynamically stable material according to theory. The minority-spin EHM arises from the hybridization among Zr-4d, Ti-3d and Rh-4d electrons. The calculated total magnetic moment of ZrRhTiIn is 2 μB, meeting the well-known Slater-Pauling rule Mt = Zt -18. Furthermore, uniform strain and tetragonal strain were applied in this work to examine the magneto-electronic and half-metallic behaviors of the ZrRhTiIn system. Finally, we show that ZrRhTiIn is mechanically stable, ductile and anisotropic.

  8. Lipid solubility of the platinum group metals Pt, Pd and Rh in dependence on the presence of complexing agents

    International Nuclear Information System (INIS)

    Zimmermann, Sonja; Menzel, Christoph M.; Stueben, Doris; Taraschewski, Horst; Sures, Bernd

    2003-01-01

    All complexing agents had a significant influence on octanol solubility of PGM. - Investigations on the bioaccumulation of the platinum group metals (PGM) Pt, Pd and Rh in aquatic organisms are of growing interest in environmental research due to the increasing emission of these metals by motor vehicles with catalytic converters. Until now, nothing is known about the possible influence of complexing agents on the bioaccumulation capacity of these precious metals. According to the partition coefficient between 1-octanol and water (P OW ) as a measure of bioaccumulation, in this study a simple shaking method was performed in order to investigate the effects of different complexing agents (L-methionine, thio urea, EDTA, humic substances, bile compounds) on the octanol solubility of the PGM. The results demonstrated a significant influence of all agents used. L-Methionine and thio urea decreased the lipid solubility. In contrast, the presence of EDTA, humic substances and especially bile caused a higher transfer of metals in the octanol phase. For most complexing agents tested, the transfer of Pd to the lipid phase was significantly higher compared with Rh and Pt, except for bile acid where the highest octanol solubility was found for Pt. Recent experimental results on PGM accumulation in zebra mussels confirm a high bioaccumulation of Pd which could be predicted from the lipid solubility

  9. Lipid solubility of the platinum group metals Pt, Pd and Rh in dependence on the presence of complexing agents

    Energy Technology Data Exchange (ETDEWEB)

    Zimmermann, Sonja; Menzel, Christoph M.; Stueben, Doris; Taraschewski, Horst; Sures, Bernd

    2003-07-01

    All complexing agents had a significant influence on octanol solubility of PGM. - Investigations on the bioaccumulation of the platinum group metals (PGM) Pt, Pd and Rh in aquatic organisms are of growing interest in environmental research due to the increasing emission of these metals by motor vehicles with catalytic converters. Until now, nothing is known about the possible influence of complexing agents on the bioaccumulation capacity of these precious metals. According to the partition coefficient between 1-octanol and water (P{sub OW}) as a measure of bioaccumulation, in this study a simple shaking method was performed in order to investigate the effects of different complexing agents (L-methionine, thio urea, EDTA, humic substances, bile compounds) on the octanol solubility of the PGM. The results demonstrated a significant influence of all agents used. L-Methionine and thio urea decreased the lipid solubility. In contrast, the presence of EDTA, humic substances and especially bile caused a higher transfer of metals in the octanol phase. For most complexing agents tested, the transfer of Pd to the lipid phase was significantly higher compared with Rh and Pt, except for bile acid where the highest octanol solubility was found for Pt. Recent experimental results on PGM accumulation in zebra mussels confirm a high bioaccumulation of Pd which could be predicted from the lipid solubility.

  10. Trends Analysis of rhBMP2 Utilization in Single-Level Anterior Lumbar Interbody Fusion in the United States.

    Science.gov (United States)

    Lao, Lifeng; Cohen, Jeremiah R; Buser, Zorica; Brodke, Darrel S; Yoon, S Tim; Youssef, Jim A; Park, Jong-Beom; Meisel, Hans-Joerg; Wang, Jeffrey C

    2018-04-01

    Retrospective case study. To evaluate the trends and demographics of recombinant human bone morphogenetic protein 2 (rhBMP2) utilization in single-level anterior lumbar interbody fusion (ALIF) in the United States. Patients who underwent single-level ALIF from 2005 to 2011 were identified by searching ICD-9 diagnosis and procedure codes in the PearlDiver Patient Records Database (PearlDiver Technologies, Fort Wayne, IN), a national database of orthopedic insurance records. The year of procedure, age, gender, and region of the United States were analyzed for each patient. A total of 921 patients were identified who underwent a single-level ALIF in this study. The average rate of single-level ALIF with rhBMP2 utilization increased (35%-48%) from 2005 to 2009, but sharply decreased to 16.7% in 2010 and 15.0% in 2011. The overall incidence of single-level ALIF without rhBMP2 (0.20 cases per 100 000 patients) was more than twice of the incidence of single-level ALIF with rhBMP2 (0.09 cases per 100 000 patients). The average rate of single-level ALIF with rhBMP2 utilization is highest in West (41.4%), followed by Midwest (33.3%), South (26.5%) and Northeast (22.2%). The highest incidence of single-level ALIF with rhBMP2 was observed in the group aged less than 65 years (compared with any other age groups, P level ALIF increased from 2006 to 2009, but decreased in 2010 and 2011. The Northeast region had the lowest incidence of rhBMP2 utilization. The group aged less than 65 years trended to have the higher incidence of single-level ALIF with rhBMP2 utilization.

  11. Impact of the Valence Charge of Transition Metals on the Cobalt- and Rhodium-Catalyzed Synthesis of Indenamines, Indenols, and Isoquinolinium Salts: A Catalytic Cycle Involving MIII/MV [M = Co, Rh] for [4+2] Annulation.

    Science.gov (United States)

    Chiou, Mong-Feng; Jayakumar, Jayachandran; Cheng, Chien-Hong; Chuang, Shih-Ching

    2018-06-13

    Reaction mechanisms for the synthesis of indenamines, indenols, and isoquinolinium salts through cobalt- and rhodium-catalysis were investigated using density functional theory calculations. We found that the valence charge of transition metals dramatically influences the reaction pathways. Catalytic reactions involving lower-oxidation-state transition metals (M I /M III , M = Co and Rh) generally favor a [3+2] cyclization pathway, whereas those involving higher oxidation states (M III /M V ) proceed through a [4+2] cyclization pathway. A catalytic cycle with novel M III /M V as a crucial species was successfully revealed for isoquinolinium salts synthesis, which highly valent M V was not only encountered in the [RhCp*]-catalysis but also in the [CoCp*]-catalysis.

  12. Yb valence state in Yb{sub 5}Rh{sub 4}Ge{sub 10}

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Hitoshi; Arita, Masashi; Shimada, Kenya; Namatame, Hirofumi; Taniguchi, Masaki [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima (Japan); Utsumi, Yuki [Synchrotron SOLEIL, L' Orme des Merisiers, Gif-sur-Yvette (France); Katoh, Kenichi [Department of Applied Physics, National Defense Academy, Yokosuka (Japan); Mimura, Kojiro [Graduate School of Engineering, Osaka Prefecture University, Sakai (Japan); Ueda, Shigenori [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science, Hyogo (Japan); Quantum Beam Unit, National Institute for Materials Science, Tsukuba (Japan); Yamaoka, Hitoshi [RIKEN SPring-8 Center, Hyogo (Japan); Rousuli, Awabaikeli [Graduate School of Science, Hiroshima University, Higashi-Hiroshima (Japan); Umeo, Kazunori [NBARD, Hiroshima University, Higashi-Hiroshima (Japan)

    2017-06-15

    Temperature- and pressure-dependent Yb valence state in Yb{sub 5}Rh{sub 4}Ge{sub 10} has been investigated by means of Yb 3d hard X-ray photoemission spectroscopy (HAXPES) and Yb L{sub 3} absorption spectroscopy (XAS). The mean Yb valence derived from the Yb 3d HAXPES is estimated to be ∝2.78 at 300 K and decreases to ∝2.74 at 20 K. On the other hand, the Yb valence deduced from the Yb L{sub 3} XAS at 300 K is almost constant with ∝2.81 in the pressure range between 9.2 and 34.7 GPa. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. First-principles study of new quaternary Heusler compounds without 3d transition metal elements: ZrRhHfZ (Z = Al, Ga, In)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaotian [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Cheng, Zhenxiang, E-mail: cheng@uow.edu.au [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Guo, Ruikang [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Wang, Jianli [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Rozale, Habib [Condensed Matter and Sustainable Development Laboratory, Physics Department, University of Sidi-Bel-Abbès, 22000 Sidi-Bel-Abbès (Algeria); Wang, Liying [Department of Physics, Tianjin University, Tianjin 300350 (China); Yu, Zheyin [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Liu, Guodong, E-mail: gdliu1978@126.com [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China)

    2017-06-01

    Plane-wave pseudo-potential methods based on density functional theory are employed to investigate the electronic structures, and the magnetic and half-metallic properties of the newly designed quaternary Heusler compounds ZrRhHfZ (Z = Al, Ga, In) without 3d transition metal elements. The calculated results show that ZrRhHfZ (Z = Al, Ga, In) compounds are half-metallic, with 100% spin polarization around the Fermi level. The structural stability of these compounds has been tested from the aspects of their cohesion energy and formation. The spin-flip/half-metallic gaps of ZrRhHfZ (Z = Al, Ga, In) compounds are quite large, with values of 0.2548 eV, 0.3483 eV, and 0.2866 eV, respectively. These compounds show Slater-Pauling behavior, and the total spin magnetic moment per unit cell (M{sub t}) scales with the total number of valence electrons (Z{sub t}) following the rule: M{sub t} = Z{sub t} - 18. The magnetization of ZrRhHfZ (Z = Al, Ga, In) compounds mainly comes from the 4d electrons of the Zr atoms and the 5d electrons of the Hf atoms. Furthermore, the effects of uniform strain and tetragonal deformation on the half metallicity has been investigated in detail, which is important for practical application. Finally, we reveal that the half-metallicity can be maintained when the Coulomb interactions are considered. - Highlights: • New quaternary compounds without 3d transition metal elements have been designed. • The electronic structures and magnetism of the ZrRhHfZ compounds have been studied. • The effect of strain on the half-metallic behavior has been tested. • The effect of the Coulomb interactions on the half-metallicity has been investigated.

  14. Enhancement of relaxation rates in the normal state of superconductor PuRhGa5:NQR relaxation study

    International Nuclear Information System (INIS)

    Sakai, H.; Kambe, S.; Tokunaga, Y.; Fujimoto, T.; Walstedt, R.E.; Yasuoka, H.; Aoki, D.; Homma, Y.; Yamamoto, E.; Nakamura, A.; Shiokawa, Y.; Nakajima, K.; Arai, Y.; Matsuda, T.D.; Haga, Y.; Onuki, Y.

    2007-01-01

    The spin-lattice relaxation rates (1/T 1 ) have been measured under zero field using nuclear quadrupole resonance (NQR) lines in superconductor PuRhGa 5 and Pauli-paramagnet LuCoGa 5 . In the reference LuCoGa 5 with fully-occupied 4f shell, the 1/T 1 shows the constant behavior of (T 1 T) -1 =0.495+/-0.002(sK) -1 . On the other hand, in PuRhGa 5 , 1/T 1 is much larger than in LuCoGa 5 and the 1/T 1 ∝T behavior below ∼30K is seen, where its (T 1 T) -1 value is 3.27+/-0.005(sK) -1 . These results suggest a development of coherent Fermi liquid state incorporated with 5f electrons below ∼30K in PuRhGa 5

  15. Radiation chemical behavior of Rh(III) in HClO4 and HNO3

    International Nuclear Information System (INIS)

    Vladimirova, M.V.; Khalkina, E.V.

    1995-01-01

    The radiation chemical behavior of Rh is very interesting since Rh accumulates in irradiated U but has not been reported in the literature. Scattered data do exist for the radiation chemical behavior of Rh(III) in weakly acidic and alkaline solutions. Pulsed radiolysis was used to investigate the formation of unstable oxidation states of Rh during reduction and oxidation of Rh(III) in neutral solutions. The rate constant of the reaction Rh(III) + e aq - was found to be 6·10 10 liter/mole·sec. The radiation chemical behavior of Rh(III) toward γ-radiolysis in neutral, weakly acidic (up to 0.1 N), and alkaline solutions was examined. In neutral solutions of [Rh(NH 3 ) 5 Cl]Cl 2 and RhCl 3 , metallic Rh is formed. The degree of reduction is ∼ 1%. In neutral and weakly acidic solutions of Rh(NO 3 ) 3 , Rh 2 O 3 ·xH 2 O is formed. Irradiation of Rh(ClO 4 ) 3 solutions produces no reduction. The radiation chemical behavior of Rh(III) in HClO 4 and HNO 3 solutions at concentrations > 1 M is studied in the present work

  16. A two-state computational investigation of methane C--H and ethane C--C oxidative addition to [CpM(PH3)]n+ (M = Co, Rh, Ir; n = 0, 1).

    Science.gov (United States)

    Petit, Alban; Richard, Philippe; Cacelli, Ivo; Poli, Rinaldo

    2006-01-11

    Reductive elimination of methane from methyl hydride half-sandwich phosphane complexes of the Group 9 metals has been investigated by DFT calculations on the model system [CpM(PH(3))(CH(3))(H)] (M = Co, Rh, Ir). For each metal, the unsaturated product has a triplet ground state; thus, spin crossover occurs during the reaction. All relevant stationary points on the two potential energy surfaces (PES) and the minimum energy crossing point (MECP) were optimized. Spin crossover occurs very near the sigma-CH(4) complex local minimum for the Co system, whereas the heavier Rh and Ir systems remain in the singlet state until the CH(4) molecule is almost completely expelled from the metal coordination sphere. No local sigma-CH(4) minimum was found for the Ir system. The energetic profiles agree with the nonexistence of the Co(III) methyl hydride complex and with the greater thermal stability of the Ir complex relative to the Rh complex. Reductive elimination of methane from the related oxidized complexes [CpM(PH(3))(CH(3))(H)](+) (M = Rh, Ir) proceeds entirely on the spin doublet PES, because the 15-electron [CpM(PH(3))](+) products have a doublet ground state. This process is thermodynamically favored by about 25 kcal mol(-1) relative to the corresponding neutral system. It is essentially barrierless for the Rh system and has a relatively small barrier (ca. 7.5 kcal mol(-1)) for the Ir system. In both cases, the reaction involves a sigma-CH(4) intermediate. Reductive elimination of ethane from [CpM(PH(3))(CH(3))(2)](+) (M = Rh, Ir) shows a similar thermodynamic profile, but is kinetically quite different from methane elimination from [CpM(PH(3))(CH(3))(H)](+): the reductive elimination barrier is much greater and does not involve a sigma-complex intermediate. The large difference in the calculated activation barriers (ca. 12.0 and ca. 30.5 kcal mol(-1) for the Rh and Ir systems, respectively) agrees with the experimental observation, for related systems, of oxidatively

  17. A first-principles study on the interaction of biogas with noble metal (Rh, Pt, Pd) decorated nitrogen doped graphene as a gas sensor: A DFT study

    Science.gov (United States)

    Zhao, Chunjiang; Wu, Huarui

    2018-03-01

    Density functional theory calculations are carried out to investigate the adsorption characteristics of methane (CH4), carbon dioxide (CO2), hydrogen (H2), hydrogen sulfide (H2S), nitrogen (N2), and oxygen (O2) on the surface of pyridine-like nitrogen doped graphene (PNG) as well as noble metal (Rh, Pt, Pd) decorated PNG to elaborate their potentials as gas sensors. The adsorption intensities of biogas on noble metal (Rh, Pt, Pd) decorated PNG are in the order of O2> H2S> N2> CH4> CO2> H2, which are corresponded to the order of their sensitivity on surface. Compared with biogas adsorption on pristine PNG, there exist higher adsorption ability, higher charge transfer and higher orbital hybridization upon adsorption on noble metal (Rh, Pt, Pd) decorated PNG. Consequently, the noble metal (Rh, Pt, Pd) decorated PNG can transform the existence of CH4, CO2, H2, H2S, N2, and O2 molecules into electrical signal and they could potentially be used as ideal sensors for detection of biogas in ambient situation.

  18. High-spin states in odd-odd 106,108,110,112Rh

    International Nuclear Information System (INIS)

    Fotiades, N.; Cizewski, J.A.; Kruecken, R.; McNabb, D.P.; Becker, J.A.; Bernstein, L.A.; Younes, W.; Clark, R.M.; Fallon, P.; Lee, I.Y.; Macchiavelli, A.O.

    2003-01-01

    The level structures of 106,108,110,112 Rh have been studied in the fission of the compound system formed in three different heavy-ion induced reactions. Sequences of five transitions, together with weak crossover transitions, have been assigned to each isotope based on coincidences with known transitions in the complementary fragments. Comparison with the lighter odd-odd Rh isotopes supports assignment of these sequences as the yrast bands built on the πg 9/2 xνh 11/2 configuration

  19. In Silico Switch from Second- to First-Row Transition Metals in Olefin Metathesis: From Ru to Fe and from Rh to Co

    Directory of Open Access Journals (Sweden)

    Jesús Antonio Luque-Urrutia

    2017-12-01

    Full Text Available Density functional theory (DFT calculations have been used to investigate the behavior of different transition metals from Groups 8 (Fe and Ru and 9 (Co and Rh in an already well-known catalytic mechanism, which is based on an Ru(SIMes(PPh3Cl2=CH(Ph complex. As expected, Ru has proven to perform better than their Fe, Co, and Rh counterparts. Even though the topographic steric maps analysis shows no difference in sterical hindrance for any of the metal centers, geometrically, the Fe-based species show a high rigidity with shorter and stronger bonds confirmed by Mayer Bond Orders. The systems bearing Co as a metallic center might present a reactivity that is, surprisingly, too high according to conceptual DFT, which would consequently be a drawback for the formation of the fundamental species of the reaction pathway: the metallacycle intermediate.

  20. Metal-insulator transition and superconductivity induced by Rh doping in the binary pnictides RuPn (Pn=P, As, Sb)

    Science.gov (United States)

    Hirai, Daigorou; Takayama, Tomohiro; Hashizume, Daisuke; Takagi, Hidenori

    2012-04-01

    Binary ruthenium pnictides, RuP and RuAs, with an orthorhombic MnP structure, were found to show a metal to a nonmagnetic insulator transition at TMI = 270 and 200 K, respectively. In the metallic region above TMI, a structural phase transition, accompanied with a weak anomaly in the resistivity and the magnetic susceptibility, indicative of a pseudogap formation, was identified at Ts = 330 and 280 K, respectively. These two transitions were suppressed by substituting Ru with Rh. We found superconductivity with a maximum Tc = 3.7 and 1.8 K in a narrow composition range around the critical point for the pseudogap phase, Rh content xc = 0.45 and 0.25 for Ru1-xRhxP and Ru1-xRhxAs, respectively, which may provide us with a nonmagnetic route to superconductivity at a quantum critical point.

  1. Probing the interaction of Rh, Co and bimetallic Rh-Co nanoparticles with the CeO2 support: catalytic materials for alternative energy generation.

    Science.gov (United States)

    Varga, E; Pusztai, P; Óvári, L; Oszkó, A; Erdőhelyi, A; Papp, C; Steinrück, H-P; Kónya, Z; Kiss, J

    2015-10-28

    The interaction of CeO2-supported Rh, Co and bimetallic Rh-Co nanoparticles, which are active catalysts in hydrogen production via steam reforming of ethanol, a process related to renewable energy generation, was studied by X-ray diffraction (XRD), high resolution electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS) and low energy ion scattering (LEIS). Furthermore, diffuse reflectance infrared spectroscopy (DRIFTS) of adsorbed CO as a probe molecule was used to characterize the morphology of metal particles. At small loadings (0.1%), Rh is in a much dispersed state on ceria, while at higher contents (1-5%), Rh forms 2-8 nm particles. Between 473-673 K pronounced oxygen transfer from ceria to Rh is observed and at 773 K significant agglomeration of Rh occurs. On reduced ceria, XPS indicates a possible electron transfer from Rh to ceria. The formation of smaller ceria crystallites upon loading with Co was concluded from XRD and HRTEM; for 10% Co, the CeO2 particle size decreased from 27.6 to 10.7 nm. A strong dissolution of Co into ceria and a certain extent of encapsulation by ceria were deduced by XRD, XPS and LEIS. In the bimetallic system, the presence of Rh enhances the reduction of cobalt and ceria. During thermal treatments, reoxidation of Co occurs, and Rh agglomeration as well as oxygen migration from ceria to Rh are hindered in the presence of cobalt.

  2. Dehybridization of f and d states in the heavy-fermion system YbRh2Si2

    Science.gov (United States)

    Leuenberger, D.; Sobota, J. A.; Yang, S.-L.; Pfau, H.; Kim, D.-J.; Mo, S.-K.; Fisk, Z.; Kirchmann, P. S.; Shen, Z.-X.

    2018-04-01

    We report an optically induced reduction of the f -d hybridization in the prototypical heavy-fermion compound YbRh2Si2 . We use femtosecond time- and angle-resolved photoemission spectroscopy to monitor changes of spectral weight and binding energies of the Yb 4 f and Rh 4 d states before the lattice temperature increases after pumping. Overall, the f -d hybridization decreases smoothly with increasing electronic temperature up to ˜250 K but changes slope at ˜100 K . This temperature scale coincides with the onset of coherent Kondo scattering and with thermally populating the first excited crystal electrical field level. Extending previous photoemission studies, we observe a persistent f -d hybridization up to at least ˜250 K , which is far larger than the coherence temperature defined by transport but in agreement with the temperature dependence of the noninteger Yb valence. Our data underlines the distinction of probes accessing spin and charge degrees of freedom in strongly correlated systems.

  3. Adsorption-induced gap states of h-BN on metal surfaces

    Science.gov (United States)

    Preobrajenski, A. B.; Krasnikov, S. A.; Vinogradov, A. S.; Ng, May Ling; Käämbre, T.; Cafolla, A. A.; Mårtensson, N.

    2008-02-01

    The formation of hexagonal boron nitride (h-BN) monolayers on Ni(111), Rh(111), and Pt(111) has been studied by a combination of x-ray emission, angle-resolved valence band photoemission, and x-ray absorption in search for interface-induced gap states of h-BN . A significant density of both occupied and unoccupied gap states with N2p and B2p characters is observed for h-BN/Ni(111) , somewhat less for h-BN/Rh(111) and still less for h-BN/Pt(111) . X-ray emission shows that the h-BN monolayer is chemisorbed strongly on Ni(111) and very weakly on Pt(111). We associate the gap states of h-BN adsorbed on the transition metal surfaces with the orbital mixing and electron sharing at the interface because their density increases with the growing strength of chemisorption.

  4. Thermal Methane Conversion to Syngas Mediated by Rh1-Doped Aluminum Oxide Cluster Cations RhAl3O4.

    Science.gov (United States)

    Li, Ya-Ke; Yuan, Zhen; Zhao, Yan-Xia; Zhao, Chongyang; Liu, Qing-Yu; Chen, Hui; He, Sheng-Gui

    2016-10-05

    Laser ablation generated RhAl 3 O 4 + heteronuclear metal oxide cluster cations have been mass-selected using a quadrupole mass filter and reacted with CH 4 or CD 4 in a linear ion trap reactor under thermal collision conditions. The reactions have been characterized by state-of-the-art mass spectrometry and quantum chemistry calculations. The RhAl 3 O 4 + cluster can activate four C-H bonds of a methane molecule and convert methane to syngas, an important intermediate product in methane conversion to value-added chemicals. The Rh atom is the active site for activation of the C-H bonds of methane. The high electron-withdrawing capability of Rh atom is the driving force to promote the conversion of methane to syngas. The polarity of Rh oxidation state is changed from positive to negative after the reaction. This study has provided the first example of methane conversion to syngas by heteronuclear metal oxide clusters under thermal collision conditions. Furthermore, the molecular level origin has been revealed for the condensed-phase experimental observation that trace amounts of Rh can promote the participation of lattice oxygen of chemically very inert support (Al 2 O 3 ) to oxidize methane to carbon monoxide.

  5. CoFeRh alloys

    Energy Technology Data Exchange (ETDEWEB)

    Tabakovic, Ibro [Seagate Technology, Research and Development, Bloomington, MN 55435 (United States)], E-mail: ibro.m.tabakovic@seagate.com; Qiu Jiaoming; Riemer, Steve; Sun Ming; Vas' ko, Vlad; Kief, Mark [Seagate Technology, Research and Development, Bloomington, MN 55435 (United States)

    2008-01-01

    The electrochemical behavior of Rh(III) species in CoFe solution containing RhCl{sub 3}, NH{sub 4}Cl, H{sub 3}BO{sub 3}, CoSO{sub 4}, FeSO{sub 4}, saccharin, and NaLS (Na lauryl sulfate) has been investigated. The electrochemistry of Rh(III) species is influenced by each of the compounds present in CoFe plating solution, but especially by addition of saccharin and H{sub 3}BO{sub 3} to the RhCl{sub 3}-NH{sub 4}Cl solution. The nucleation and growth of Rh on GC (glassy carbon), Ru, and Cu electrodes from NH{sub 4}Cl solution was studied using the potentiostatic current-transient methods. The results support a predominantly progressive nucleation of Rh on all three-electrode surfaces. The nucleation kinetic parameters ANo (steady state nucleation rate) and Ns (saturation nuclear number density) were found to vary with potential and are electrode-dependent in order: GC > Ru{approx}Cu. The electrodeposited Rh films obtained from NH{sub 4}Cl solution and nonmagnetic CoFeRh film obtained from CoFe solution were characterized in terms of the following properties: morphology, surface roughness, crystal structure and chemical composition. The origin of light elements found in Rh and CoFeRh films (O, Cl, S, C, N) was discussed.

  6. CoFeRh alloys

    International Nuclear Information System (INIS)

    Tabakovic, Ibro; Qiu Jiaoming; Riemer, Steve; Sun Ming; Vas'ko, Vlad; Kief, Mark

    2008-01-01

    The electrochemical behavior of Rh(III) species in CoFe solution containing RhCl 3 , NH 4 Cl, H 3 BO 3 , CoSO 4 , FeSO 4 , saccharin, and NaLS (Na lauryl sulfate) has been investigated. The electrochemistry of Rh(III) species is influenced by each of the compounds present in CoFe plating solution, but especially by addition of saccharin and H 3 BO 3 to the RhCl 3 -NH 4 Cl solution. The nucleation and growth of Rh on GC (glassy carbon), Ru, and Cu electrodes from NH 4 Cl solution was studied using the potentiostatic current-transient methods. The results support a predominantly progressive nucleation of Rh on all three-electrode surfaces. The nucleation kinetic parameters ANo (steady state nucleation rate) and Ns (saturation nuclear number density) were found to vary with potential and are electrode-dependent in order: GC > Ru∼Cu. The electrodeposited Rh films obtained from NH 4 Cl solution and nonmagnetic CoFeRh film obtained from CoFe solution were characterized in terms of the following properties: morphology, surface roughness, crystal structure and chemical composition. The origin of light elements found in Rh and CoFeRh films (O, Cl, S, C, N) was discussed

  7. The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co13, Rh13, and Hf13.

    Science.gov (United States)

    Piotrowski, Maurício J; Piquini, Paulo; Cândido, Ladir; Da Silva, Juarez L F

    2011-10-14

    The crystalline structure of transition-metals (TM) has been widely known for several decades, however, our knowledge on the atomic structure of TM clusters is still far from satisfactory, which compromises an atomistic understanding of the reactivity of TM clusters. For example, almost all density functional theory (DFT) calculations for TM clusters have been based on local (local density approximation--LDA) and semilocal (generalized gradient approximation--GGA) exchange-correlation functionals, however, it is well known that plain DFT fails to correct the self-interaction error, which affects the properties of several systems. To improve our basic understanding of the atomic and electronic properties of TM clusters, we report a DFT study within two nonlocal functionals, namely, the hybrid HSE (Heyd, Scuseria, and Ernzerhof) and GGA+U functionals, of the structural and electronic properties of the Co(13), Rh(13), and Hf(13) clusters. For Co(13) and Rh(13), we found that improved exchange-correlation functionals decrease the stability of open structures such as the hexagonal bilayer (HBL) and double simple-cubic (DSC) compared with the compact icosahedron (ICO) structure, however, DFT-GGA, DFT-GGA+U, and DFT-HSE yield very similar results for Hf(13). Thus, our results suggest that the DSC structure obtained by several plain DFT calculations for Rh(13) can be improved by the use of improved functionals. Using the sd hybridization analysis, we found that a strong hybridization favors compact structures, and hence, a correct description of the sd hybridization is crucial for the relative energy stability. For example, the sd hybridization decreases for HBL and DSC and increases for ICO in the case of Co(13) and Rh(13), while for Hf(13), the sd hybridization decreases for all configurations, and hence, it does not affect the relative stability among open and compact configurations.

  8. RH-TRU Waste Content Codes (RH-TRUCON)

    International Nuclear Information System (INIS)

    2007-01-01

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC).1 The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is '3.' The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR limits based

  9. RH-TRU Waste Content Codes (RH-TRUCON)

    Energy Technology Data Exchange (ETDEWEB)

    Washington TRU Solutions LLC

    2007-08-01

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC).1 The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: • A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. • A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is “3.” The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR

  10. RH-TRU Waste Content Codes (RH-TRUCON)

    Energy Technology Data Exchange (ETDEWEB)

    Washington TRU Solutions

    2007-05-30

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC).1 The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: • A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. • A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is “3.” The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR

  11. RH-TRU Waste Content Codes (RH-Trucon)

    International Nuclear Information System (INIS)

    2007-01-01

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC).1 The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is '3.' The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR limits based

  12. Deprotonation induced ligand-to-metal electron transfer: Synthesis of a mixed-valence Rh(-I,I) dinuclear compound and its reaction with dioxygen

    NARCIS (Netherlands)

    Tejel, C.; Ciriano, M.A.; del Río, M.P.; van den Bruele, F.J.; Hetterscheid, D.G.H.; Tsichlis i Spithas, N.; de Bruin, B.

    2008-01-01

    Treatment of bis(2-picolyl)amine (bpa) with [{Rh(nbd)(mu-OMe))(2)] leads to unexpected and unique redox asymmetric dinuclear Rh-I, Rh+I complex [{Rh(ndb)}(2)(bpa-2H)] (2) with a pi-coordinating imine bound to a tetrahedral low valent rhodate(-I). Mono-oxygenation of the deprotonated bpa ligand in 2

  13. Metal induced gap states at alkali halide/metal interface

    International Nuclear Information System (INIS)

    Kiguchi, Manabu; Yoshikawa, Genki; Ikeda, Susumu; Saiki, Koichiro

    2004-01-01

    The electronic state of a KCl/Cu(0 0 1) interface was investigated using the Cl K-edge near-edge X-ray absorption fine structure (NEXAFS). A pre-peak observed on the bulk edge onset of thin KCl films has a similar feature to the peak at a LiCl/Cu(0 0 1) interface, which originates from the metal induced gap state (MIGS). The present result indicates that the MIGS is formed universally at alkali halide/metal interfaces. The decay length of MIGS to an insulator differs from each other, mainly due to the difference in the band gap energy of alkali halide

  14. In-situ XMCD evaluation of ferromagnetic state at FeRh thin film surface induced by 1 keV Ar ion beam irradiation and annealing

    Energy Technology Data Exchange (ETDEWEB)

    Matsui, T. [Research Organization for the 21st Century, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan); Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan); Aikoh, K. [Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan); Sakamaki, M.; Amemiya, K. [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki 305-0801 (Japan); Iwase, A. [Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan)

    2015-12-15

    Surface ferromagnetic state of FeRh thin films irradiated with 1 keV Ar ion-beam has been investigated by using soft X-ray Magnetic Circular Dichroism (XMCD). It was revealed that the Fe atoms of the samples were strongly spin-polarized after Ar ion-beam irradiation. Due to its small penetration depth, 1 keV Ar ion-beam irradiation can modify the magnetic state at subsurface of the samples. In accordance with the XMCD sum rule analysis, the main component of the irradiation induced ferromagnetism at the FeRh film surface was to be effective spin magnetic moment, and not to be orbital moment. We also confirmed that the surface ferromagnetic state could be produced by thermal annealing of the excessively ion irradiated paramagnetic subsurface of the FeRh thin films. This novel magnetic modification technique by using ion irradiation and subsequent annealing can be a potential tool to control the surface magnetic state of FeRh thin films.

  15. Electrical Control of Metallic Heavy-Metal-Ferromagnet Interfacial States

    Science.gov (United States)

    Bi, Chong; Sun, Congli; Xu, Meng; Newhouse-Illige, Ty; Voyles, Paul M.; Wang, Weigang

    2017-09-01

    Voltage-control effects provide an energy-efficient means of tailoring material properties, especially in highly integrated nanoscale devices. However, only insulating and semiconducting systems can be controlled so far. In metallic systems, there is no electric field due to electron screening effects and thus no such control effect exists. Here, we demonstrate that metallic systems can also be controlled electrically through ionic rather than electronic effects. In a Pt /Co structure, the control of the metallic Pt /Co interface can lead to unprecedented control effects on the magnetic properties of the entire structure. Consequently, the magnetization and perpendicular magnetic anisotropy of the Co layer can be independently manipulated to any desired state, the efficient spin toques can be enhanced about 3.5 times, and the switching current can be reduced about one order of magnitude. This ability to control a metallic system may be extended to control other physical phenomena.

  16. States of light positive particles in metals

    International Nuclear Information System (INIS)

    Klamt, A.G.

    1987-01-01

    The states of light positively charged particles in metals are treated in tight-binding approximation. The polaron states of the particles are investigated. The 'molecular crystal model' and an interstitial model' are treated. Moreover, the particle-lattice coupling of excited particles is treated for fcc and bcc lattices. (BHO)

  17. RH-TRU Waste Content Codes (RH TRUCON)

    International Nuclear Information System (INIS)

    2007-01-01

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC).1 The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: (1) A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. (2) A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is ''3''. The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR

  18. RH-TRU Waste Content Codes (RH TRUCON)

    Energy Technology Data Exchange (ETDEWEB)

    Washington TRU Solutions

    2007-05-01

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC).1 The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: • A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. • A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is “3.” The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR

  19. Lattice dynamic properties of Rh2XAl (X=Fe and Y) alloys

    Science.gov (United States)

    Al, Selgin; Arikan, Nihat; Demir, Süleyman; Iyigör, Ahmet

    2018-02-01

    The electronic band structure, elastic and vibrational spectra of Rh2FeAl and Rh2YAl alloys were computed in detail by employing an ab-initio pseudopotential method and a linear-response technique based on the density-functional theory (DFT) scheme within a generalized gradient approximation (GGA). Computed lattice constants, bulk modulus and elastic constants were compared. Rh2YAl exhibited higher ability to resist volume change than Rh2FeAl. The elastic constants, shear modulus, Young modulus, Poisson's ratio, B/G ratio electronic band structure, total and partial density of states, and total magnetic moment of alloys were also presented. Rh2FeAl showed spin up and spin down states whereas Rh2YAl showed none due to being non-magnetic. The calculated total densities of states for both materials suggest that both alloys are metallic in nature. Full phonon spectra of Rh2FeAl and Rh2YA1 alloys in the L21 phase were collected using the ab-initio linear response method. The obtained phonon frequencies were in the positive region indicating that both alloys are dynamically stable.

  20. Metal-metal bonded compounds. V. Compounds with Ir (Rh)-Hg bonds containing a bridging and a chelating triazenido group which interconvert intramolecularly

    NARCIS (Netherlands)

    Koten, G. van; Vliet, P.I. van; Kokkes, M.; Vrieze, K.

    1980-01-01

    The compounds [(Diene)(RN{3}R'){2}MHgCl]{2} (M = Ir; Diene = COD; R = CH{3}, C{2}H{5}; R' = p-CH{3}C{6}H{4} and M = Rh; Diene = COD, NOR; R = CH{3}, C{2}H{5}, p-CH{3}-C{6}H{4}; R' = p-CH{3}C{6}H{4} have been prepared by reaction of [(Diene)MCl]{2} with [Hg(RN{3}R'){2}] and by reaction of

  1. Rh Incompatibility (For Parents)

    Science.gov (United States)

    ... work to destroy, foreign substances) against the Rh proteins. Other ways Rh-negative pregnant women can be exposed to the Rh protein that might cause antibody production include blood transfusions ...

  2. Fermi Surfaces in the Antiferromagnetic, Paramagnetic and Polarized Paramagnetic States of CeRh2Si2 Compared with Quantum Oscillation Experiments

    Science.gov (United States)

    Pourret, Alexandre; Suzuki, Michi-To; Palaccio Morales, Alexandra; Seyfarth, Gabriel; Knebel, Georg; Aoki, Dai; Flouquet, Jacques

    2017-08-01

    The large quantum oscillations observed in the thermoelectric power in the antiferromagnetic (AF) state of the heavy-fermion compound CeRh2Si2 disappear suddenly when entering in the polarized paramagnetic (PPM) state at Hc ˜ 26.5 T, indicating an abrupt reconstruction of the Fermi surface. The electronic band structure was calculated using [LDA+U] for the AF state taking the correct magnetic structure into account, for the PPM state, and for the paramagnetic state (PM). Different Fermi surfaces were obtained for the AF, PM, and PPM states. Due to band folding, a large number of branches was expected and observed in the AF state. The LDA+U calculation was compared with the previous LDA calculations. Furthermore, we compared both calculations with previously published de Haas-van Alphen experiments. The better agreement with the LDA approach suggests that above the critical pressure pc CeRh2Si2 enters in a mixed-valence state. In the PPM state under a high magnetic field, the 4f contribution at the Fermi level EF drops significantly compared with that in the PM state, and the 4f electrons contribute only weakly to the Fermi surface in our approach.

  3. Photoionization of image states around metallic nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Segui, Silvina; Arista, Nestor R; Gervasoni, Juana L [Centro Atomico Bariloche (CNEA) 8400, Rio Negro (Argentina); Bocan, Gisela A, E-mail: segui@cab.cnea.gov.a, E-mail: gbocan@iafe.uba.a, E-mail: arista@cab.cnea.gov.a, E-mail: gervason@cab.cnea.gov.a [Institute de AstronomIa y Fisica del Espacio, CC 67, Sue 28, 1428, Ciudad Universitaria, Buenos Aires (Argentina)

    2009-11-01

    In this work we study a theoretical approach to the ionization of electrons bound in an image state around a metallic nanotube by the impact of photons. In a close analogy to the already studied case of ionization by electron impact [1], we calculate and analyze photoionization cross sections of tubular image states [2] within a first Born approximation. We consider various situations, including different energies and polarizations of the incident photon, ejection directions of the outgoing electron, and angular momenta of the image state.

  4. Absence of a long-range ordered magnetic ground state in Pr3Rh4Sn13 studied through specific heat and inelastic neutron scattering

    Science.gov (United States)

    Nair, Harikrishnan S.; Ogunbunmi, Michael O.; Ghosh, S. K.; Adroja, D. T.; Koza, M. M.; Guidi, T.; Strydom, A. M.

    2018-04-01

    Signatures of absence of a long-range ordered magnetic ground state down to 0.36 K are observed in magnetic susceptibility, specific heat, thermal/electrical transport and inelastic neutron scattering data of the quasi-skutterudite compound Pr3Rh4Sn13 which crystallizes in the Yb3Rh4Sn13-type structure with a cage-like network of Sn atoms. In this structure, Pr3+ occupies a lattice site with D 2d point symmetry having a ninefold degeneracy corresponding to J  =  4. The magnetic susceptibility of Pr3Rh4Sn13 shows only a weak temperature dependence below 10 K otherwise remaining paramagnetic-like in the range, 10 K-300 K. From the inelastic neutron scattering intensity of Pr3Rh4Sn13 recorded at different temperatures, we identify excitations at 4.5(7) K, 5.42(6) K, 10.77(5) K, 27.27(5) K, 192.28(4) K and 308.33(3) K through a careful peak analysis. However, no signatures of long-range magnetic order are observed in the neutron data down to 1.5 K, which is also confirmed by the specific heat data down to 0.36 K. A broad Schottky-like peak is recovered for the magnetic part of the specific heat, C 4f, which suggests the role of crystal electric fields of Pr3+ . A crystalline electric field model consisting of 7 levels was applied to C 4f which leads to the estimation of energy levels at 4.48(2) K, 6.94(4) K, 11.23(8) K, 27.01(5) K, 193.12(6) K and 367.30(2) K. The CEF energy levels estimated from the heat capacity analysis are in close agreement with the excitation energies seen in the neutron data. The Sommerfeld coefficient estimated from the analysis of magnetic specific heat is γ = 761(6) mJ K-2 mol-Pr which suggests the formation of heavy itinerant quasi-particles in Pr3Rh4Sn13. Combining inelastic neutron scattering results, analysis of the specific heat data down to 0.36 K, magnetic susceptibility and, electrical and thermal transport, we establish the absence of long-range ordered magnetic ground state in Pr3Rh4Sn13.

  5. Noble metal nanoparticle-functionalized ZnO nanoflowers for photocatalytic degradation of RhB dye and electrochemical sensing of hydrogen peroxide

    International Nuclear Information System (INIS)

    Hussain, Muhammad; Sun, Hongyu; Karim, Shafqat; Nisar, Amjad; Khan, Maaz; Ul Haq, Anwar; Iqbal, Munawar; Ahmad, Mashkoor

    2016-01-01

    Flower-like hierarchical Zinc oxide nanostructures synthesized by co-precipitation method have been hydrothermally functionalized with 8 nm Au NPs and 15 nm Ag nanoparticles. The photocatalytic and electrochemical performance of these structures are investigated. XPS studies show that the composite exhibits a strong interaction between noble metal nanoparticles (NPs) and Zinc oxide nanoflowers. The PL spectra exhibit UV emission arising due to near band edge transition and show that the reduced PL intensities of Au–ZnO and Ag–ZnO composites are responsible for improved photocatalytic activity arising due to increase in defects. Moreover, the presence of Au NPs on ZnO surface remarkably enhances photocatalytic activity as compared to Ag–ZnO and pure ZnO due to the higher catalytic activity and stability of Au NPs. On the other hand, Ag–ZnO-modified glassy carbon electrode shows good amperometric response to hydrogen peroxide (H_2O_2), with linear range from 1 to 20 µM, and detection limit of 2.5 µM (S/N = 3). The sensor shows high and reproducible sensitivity of 50.8 μA cm"−"2 μM"−"1 with a fast response less than 3 s and good stability as compared to pure ZnO and Au–ZnO-based sensors. All these results show that noble metal NPs-functionalized ZnO base nanocomposites exhibit great prospects for developing efficient non-enzymatic biosensor and environmental remediators.Graphical abstractZnO nanoflowers functionalized with noble metal nanoparticles enhance photocatalytic degradation of RhB dye and electrochemical sensing of hydrogen peroxide.

  6. Noble metal nanoparticle-functionalized ZnO nanoflowers for photocatalytic degradation of RhB dye and electrochemical sensing of hydrogen peroxide

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Muhammad [PINSTECH, Nanomaterials Research Group, Physics Division (Pakistan); Sun, Hongyu [Tsinghua University, Laboratory of Advanced Materials and The State Key Laboratory of New Ceramics and Fine Processing, Department of Materials Science and Engineering Beijing, National Center for Electron Microscopy (China); Karim, Shafqat; Nisar, Amjad; Khan, Maaz [PINSTECH, Nanomaterials Research Group, Physics Division (Pakistan); Ul Haq, Anwar [PINSTECH, Non-destructive testing Group (Pakistan); Iqbal, Munawar [University of the Punjab, Centre for High Energy Physics (Pakistan); Ahmad, Mashkoor, E-mail: mashkoorahmad2003@yahoo.com [PINSTECH, Nanomaterials Research Group, Physics Division (Pakistan)

    2016-04-15

    Flower-like hierarchical Zinc oxide nanostructures synthesized by co-precipitation method have been hydrothermally functionalized with 8 nm Au NPs and 15 nm Ag nanoparticles. The photocatalytic and electrochemical performance of these structures are investigated. XPS studies show that the composite exhibits a strong interaction between noble metal nanoparticles (NPs) and Zinc oxide nanoflowers. The PL spectra exhibit UV emission arising due to near band edge transition and show that the reduced PL intensities of Au–ZnO and Ag–ZnO composites are responsible for improved photocatalytic activity arising due to increase in defects. Moreover, the presence of Au NPs on ZnO surface remarkably enhances photocatalytic activity as compared to Ag–ZnO and pure ZnO due to the higher catalytic activity and stability of Au NPs. On the other hand, Ag–ZnO-modified glassy carbon electrode shows good amperometric response to hydrogen peroxide (H{sub 2}O{sub 2}), with linear range from 1 to 20 µM, and detection limit of 2.5 µM (S/N = 3). The sensor shows high and reproducible sensitivity of 50.8 μA cm{sup −2} μM{sup −1} with a fast response less than 3 s and good stability as compared to pure ZnO and Au–ZnO-based sensors. All these results show that noble metal NPs-functionalized ZnO base nanocomposites exhibit great prospects for developing efficient non-enzymatic biosensor and environmental remediators.Graphical abstractZnO nanoflowers functionalized with noble metal nanoparticles enhance photocatalytic degradation of RhB dye and electrochemical sensing of hydrogen peroxide.

  7. Comparison Of The MWCNTs-Rh And MWCNTs-Re Carbon-Metal Nanocomposites Obtained In High-Temperature

    Directory of Open Access Journals (Sweden)

    Dobrzańska-Danikiewicz A.D.

    2015-09-01

    Full Text Available Carbon-metal nanocomposites consisting of multiwalled carbon nanotubes coated with rhodium or rhenium nanoparticles by the high-temperature method were fabricated during the research undertaken. Multiwalled carbon nanotubes fabricated by Catalytic-Chemical Vapour Deposition (CCVD were used in the investigations. Multiwalled carbon nanotubes functionalisation in acid or in a mixture of acids was applied to deposit rhodium or rhenium nanoparticles onto the surface of carbon nanotubes, and then the material was placed in a solution being a precursor of metallic nanoparticles. The material prepared was next subjected to high-temperature reduction in the atmosphere of argon and/or hydrogen to deposit rhodium or rhenium nanoparticles onto the surface of multiwalled carbon nanotubes. The investigations performed include, respectively: fabrication of a CNT-NPs (Carbon NanoTube-NanoParticles nanocomposite material; the characterisation of the material produced including examination of the structure and morphology, and the assessment of rhodium and/or rhenium nanoparticles distribution on the surface of carbon nanotubes. Micro- and spectroscopy techniques were employed to characterise the structure of the nanocomposites obtained.

  8. A Synthetic Pseudo-Rh: NOx Reduction Activity and Electronic Structure of Pd-Ru Solid-solution Alloy Nanoparticles

    Science.gov (United States)

    Sato, Katsutoshi; Tomonaga, Hiroyuki; Yamamoto, Tomokazu; Matsumura, Syo; Zulkifli, Nor Diana Binti; Ishimoto, Takayoshi; Koyama, Michihisa; Kusada, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi; Nagaoka, Katsutoshi

    2016-06-01

    Rh is one of the most important noble metals for industrial applications. A major fraction of Rh is used as a catalyst for emission control in automotive catalytic converters because of its unparalleled activity toward NOx reduction. However, Rh is a rare and extremely expensive element; thus, the development of Rh alternative composed of abundant elements is desirable. Pd and Ru are located at the right and left of Rh in the periodic table, respectively, nevertheless this combination of elements is immiscible in the bulk state. Here, we report a Pd-Ru solid-solution-alloy nanoparticle (PdxRu1-x NP) catalyst exhibiting better NOx reduction activity than Rh. Theoretical calculations show that the electronic structure of Pd0.5Ru0.5 is similar to that of Rh, indicating that Pd0.5Ru0.5 can be regarded as a pseudo-Rh. Pd0.5Ru0.5 exhibits better activity than natural Rh, which implies promising applications not only for exhaust-gas cleaning but also for various chemical reactions.

  9. Large magnetoresistance in Er7Rh3

    International Nuclear Information System (INIS)

    Sengupta, Kaushik; Sampathkumaran, E.V.

    2005-01-01

    The compound Er 2 Rh 3 has been known to order antiferromagnetically below (T N =14K), and to exhibit a change in the sign of temperature coefficient of electrical resistivity (ρ) in the paramagnetic state around 120 K. Here we report the influence of external magnetic field (H) on the ρ(T) behavior of this compound (1.8-300 K). While the ρ behavior in the paramagnetic state, qualitatively speaking, is found to be robust to the application of H, the magnitude of the magnetoresistance (MR) is significant for moderate applications of H, even at temperatures for above T N untypical of metallic systems. In addition, large values are observed in the magnetically ordered state. (author)

  10. Determination of the equilibrium miscibility gap in the Pd-Rh alloy system using metal nanopowders obtained by decomposition of coordination compounds

    Energy Technology Data Exchange (ETDEWEB)

    Shubin, Yu.V., E-mail: shubin@niic.nsc.ru; Plyusnin, P.E.; Korenev, S.V.

    2015-02-15

    Highlights: • The Pd-Rh phase diagram has been experimentally reinvestigated. • The true equilibrium was achieved with the two-way approach. • The critical point of the miscibility gap lie at 58 at.% Rh and 820 °C. - Abstract: The Pd-Rh phase diagram has been reinvestigated in the subsolidus region using X-ray diffraction, scanning and transmission electron microscopy. The true equilibrium at the miscibility boundary was achieved with the two-way approach. Nanosized powders of metastable solid solutions and two-phase palladium-rhodium mixtures were used to shorten the time required to equilibrate the system. The initial samples were prepared by decomposition of coordination compounds [Pd(NH{sub 3}){sub 2}Cl{sub 2}], [Rh(NH{sub 3}){sub 5}Cl]Cl{sub 2}, [Pd(NH{sub 3}){sub 4}]{sub 3}[Rh(NO{sub 2}){sub 6}]{sub 2} and [Pd(NH{sub 3}){sub 4}][Rh(NH{sub 3})(NO{sub 2}){sub 5}]. The obtained phase diagram exhibits miscibility gap wider than generally accepted with the critical point of solubility at 58 at.% Rh and 820 °C.

  11. Mesoporous Silica-Supported Metal Oxide-Promoted Rh Nanocatalyst for Selective Production of Ethanol from Syngas

    Energy Technology Data Exchange (ETDEWEB)

    Kraus, George

    2010-09-30

    The objective is to develop a process that will convert synthesis gas from coal into ethanol and then transform the ethanol into hydrogen. Principal investigators from Iowa State University include Dr. George Kraus, Dr. Victor Lin, Marek Pruski, and Dr. Robert Brown. Task 1 involves catalyst development and catalyst scale up. Mesoporous manganese silicate mixed oxide materials will be synthesized, characterized and evaluated. The first-and secondgeneration catalysts have been prepared and scaled up for use in Task 2. The construction of a high-pressure reactor system for producing synthetic liquid fuel from simulated synthesis gas stream has been completed as the first step in Task 2. Using the first- and second generation catalysts, the reactor has demonstrated the production of synthetic liquid fuel from a simulated synthesis gas stream.

  12. Metal induced B-Y activation in semisandwich Cp*Rh-, Cp*Ir-, (p-cumene)Ru-, and (p-cumene)Os complexes containing 1,2-dicarba-closo-dodecaborane(12)-1,2-dichalcogenide ligand

    International Nuclear Information System (INIS)

    Bernd Vrakmejer; Khong Yan; Vol'fgang Milius; Maks Kherberkhol'd

    2001-01-01

    Reactivity of 16e-semisandwich Cp*M[E 2 C 2 (B 10 H 10 )] and (p-cumene) M' [S 2 C 2 (B 10 H 10 )] complexes (Cp = cyclopentadienyl-ion; M = Rh, Ir; M' Ru, Os; E = S, Se) towards various alkynes was studied using data of NMR and X-ray diffraction analyses of intermediate and final products of the reactions. It is shown that the reactions initiate from introduction of alkyne molecule in one of metal-E bonds, then intramolecular metal-induced B-H activation occurs along with metal-B bond formation, followed by simultaneous hydrogen atom transfer from boron atom through metal atom to alkyne [ru

  13. RH Packaging Program Guidance

    International Nuclear Information System (INIS)

    2008-01-01

    The purpose of this program guidance document is to provide the technical requirements for use, operation, inspection, and maintenance of the RH-TRU 72-B Waste Shipping Package (also known as the 'RH-TRU 72-B cask') and directly related components. This document complies with the requirements as specified in the RH-TRU 72-B Safety Analysis Report for Packaging (SARP), and Nuclear Regulatory Commission (NRC) Certificate of Compliance (C of C) 9212. If there is a conflict between this document and the SARP and/or C of C, the C of C shall govern. The C of C states: 'each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application.' It further states: 'each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application.' Chapter 9.0 of the SARP tasks the Waste Isolation Pilot Plant (WIPP) Management and Operating (M and O) Contractor with assuring the packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with Title 10 Code of Federal Regulations (CFR) 71.8, 'Deliberate Misconduct.' Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the U.S. Department of Energy (DOE) Carlsbad Field Office (CBFO) shall be notified immediately. The CBFO will evaluate the issue and notify the NRC if required.In accordance with 10 CFR Part 71, 'Packaging and Transportation of Radioactive Material,' certificate holders, packaging users, and contractors or subcontractors who use, design, fabricate, test, maintain, or modify the packaging shall post copies of (1) 10 CFR Part 21, 'Reporting of Defects and Noncompliance,' regulations, (2) Section 206 of the Energy Reorganization Act of 1974, and (3) NRC Form 3, Notice to Employees. These documents must be posted in a conspicuous

  14. Reactions at the Metal Vertex of a Monometal Metallocarborane Cluster. The Chemistry of (closo-3,3-(PPh3)2-3-(HSO4)-3,1,2-RhC2B9H11) and (closo-3-(PPh3)-3,3-(NO3)-3,1,2RhC2B9H11).

    Science.gov (United States)

    1982-03-09

    4) produced by dissociation of PPh 3 from (2) or through an ionic species such as [closo-3,3- (PPh 3)2 -3,1,2-RhC 289 H ] [HSO4 (4a). Secondly, the...acetylene molecule and subsequent insertion into a metal-carbon bond has been observed in the linear oligomerization of acetylere catalyzed by [Ni(CO...monoxide were obtained from Liquid Carbonic and used without further treatment. Phenylacetylene (Aldrich) was distilled under vacuum before use and n

  15. Microwave irradiation for the facile synthesis of transition-metal nanoparticles (NPs) in ionic liquids (ILs) from metal-carbonyl precursors and Ru-, Rh-, and Ir-NP/IL dispersions as biphasic liquid-liquid hydrogenation nanocatalysts for cyclohexene.

    Science.gov (United States)

    Vollmer, Christian; Redel, Engelbert; Abu-Shandi, Khalid; Thomann, Ralf; Manyar, Haresh; Hardacre, Christopher; Janiak, Christoph

    2010-03-22

    Stable chromium, molybdenum, tungsten, manganese, rhenium, ruthenium, osmium, cobalt, rhodium, and iridium metal nanoparticles (M-NPs) have been reproducibly obtained by facile, rapid (3 min), and energy-saving 10 W microwave irradiation (MWI) under an argon atmosphere from their metal-carbonyl precursors [M(x)(CO)(y)] in the ionic liquid (IL) 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIm][BF(4)]). This MWI synthesis is compared to UV-photolytic (1000 W, 15 min) or conventional thermal decomposition (180-250 degrees C, 6-12 h) of [M(x)(CO)(y)] in ILs. The MWI-obtained nanoparticles have a very small (TED), and dynamic light scattering (DLS)). The ruthenium, rhodium, or iridium nanoparticle/IL dispersions are highly active and easily recyclable catalysts for the biphasic liquid-liquid hydrogenation of cyclohexene to cyclohexane with activities of up to 522 (mol product) (mol Ru)(-1) h(-1) and 884 (mol product) (mol Rh)(-1) h(-1) and give almost quantitative conversion within 2 h at 10 bar H(2) and 90 degrees C. Catalyst poisoning experiments with CS(2) (0.05 equiv per Ru) suggest a heterogeneous surface catalysis of Ru-NPs.

  16. RH-TRU Waste Content Codes

    Energy Technology Data Exchange (ETDEWEB)

    Washington TRU Solutions

    2007-07-01

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC).1 The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: • A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. • A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is “3.” The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR

  17. Comparing Pt/SrTiO3 to Rh/SrTiO3 for hydrogen photocatalytic production from ethanol

    KAUST Repository

    Wahab, A. K.; Odedairo, T.; Labis, J.; Hedhili, Mohamed N.; Delavar, A.; Idriss, H.

    2013-01-01

    Photocatalytic hydrogen production from ethanol as an example of biofuel is studied over 0.5 wt% Rh/SrTiO3 and 0.5 wt% Pt/SrTiO3 perovskite materials. The rate of hydrogen production, rH2, over Pt/SrTiO3 is found to be far higher than that observed over Rh/SrTiO3 (4 × 10−6 mol of H2 g catal. −1 min−1 (1.1 × 10−6 mol of H2 m catal. −2 min−1) compared to 0.7 × 10−6 mol of H2 g catal. −1 min−1 (5.5 × 10−8 mol of H2 m catal. −2 min−1), respectively, under UV excitation with a flux equivalent to that from the sun light (ca. 1 mW cm−2). Analyses of the XPS Rh3d and XPS Pt4f indicate that Rh is mainly present in its ionic form (Rh3+) while Pt is mainly present in its metallic form (Pt0). A fraction of the non-metallic state of Rh in the catalyst persisted even after argon ion sputtering. The tendency of Rh to be oxidized compared to Pt might be the reason behind the lower activity of the former compared to the later. On the contrary, a larger amount of methane are formed on the Rh containing catalyst compared to that observed on the Pt containing catalyst due to the capacity of Rh to break the carbon–carbon bond of the organic compound.

  18. Comparing Pt/SrTiO3 to Rh/SrTiO3 for hydrogen photocatalytic production from ethanol

    KAUST Repository

    Wahab, A. K.

    2013-08-13

    Photocatalytic hydrogen production from ethanol as an example of biofuel is studied over 0.5 wt% Rh/SrTiO3 and 0.5 wt% Pt/SrTiO3 perovskite materials. The rate of hydrogen production, rH2, over Pt/SrTiO3 is found to be far higher than that observed over Rh/SrTiO3 (4 × 10−6 mol of H2 g catal. −1 min−1 (1.1 × 10−6 mol of H2 m catal. −2 min−1) compared to 0.7 × 10−6 mol of H2 g catal. −1 min−1 (5.5 × 10−8 mol of H2 m catal. −2 min−1), respectively, under UV excitation with a flux equivalent to that from the sun light (ca. 1 mW cm−2). Analyses of the XPS Rh3d and XPS Pt4f indicate that Rh is mainly present in its ionic form (Rh3+) while Pt is mainly present in its metallic form (Pt0). A fraction of the non-metallic state of Rh in the catalyst persisted even after argon ion sputtering. The tendency of Rh to be oxidized compared to Pt might be the reason behind the lower activity of the former compared to the later. On the contrary, a larger amount of methane are formed on the Rh containing catalyst compared to that observed on the Pt containing catalyst due to the capacity of Rh to break the carbon–carbon bond of the organic compound.

  19. Superconducting state parameters of ternary metallic glasses

    Indian Academy of Sciences (India)

    Administrator

    to binary metallic glasses. They are of interest since third element can modify the physical properties of binary metallic glasses and can also be used as a probe to study the host. ..... conducting nature in the present case. When we. Figure 6. Variation of transition temperature (TC) with valance (Z) of ternary metallic glasses.

  20. The complex metal-rich boride Ti{sub 1+x}Rh{sub 2-x+y}Ir{sub 3-y}B{sub 3} (x=0.68, y=1.06) with a new structure type containing B{sub 4} zigzag fragments: Synthesis, crystal chemistry and theoretical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Goerens, Christian [Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52064 Aachen (Germany); Fokwa, Boniface P.T., E-mail: boniface.fokwa@ac.rwth-aachen.de [Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52064 Aachen (Germany)

    2012-08-15

    Polycrystalline samples and single crystals of the new complex boride Ti{sub 1+x}Rh{sub 2-x+y}Ir{sub 3-y}B{sub 3} (x=0.68; y=1.06) were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere and characterized by X-Ray diffraction as well as EDX measurements. The crystal structure was refined on the basis of single crystal data. The new phase, which represents a new structure type containing trans zigzag B{sub 4} fragments as well as isolated boron atoms crystallizes in the orthorhombic space group Pbam (Nr. 55) with the lattice parameters a=8.620(1) A, b=14.995(2) A and c=3.234(1) A. First-principles density functional theory calculations using the Vienna ab-initio simulation package (VASP) were performed on an appropriate structural model (using a supercell approach) and the experimental crystallographic data could be reproduced accurately. Based on this model, the density of states and crystal orbital Hamilton population (for bonding analysis) were calculated, using the linear muffin-tin orbital atomic sphere approximation (LMTO-ASA) method. According to these calculations, this metal-rich compound should be metallic, as expected. Furthermore, very strong boron-boron interactions are observed in the trans zigzag B{sub 4} fragment, which induce a clear differentiation of two types of metal-boron contacts with different strength. The observed three-dimensional metal-metal interaction is in good agreement with the predicted metallic behavior. - graphical abstract: The structure of Ti{sub 1.68(2)}Rh{sub 2.38(6)}Ir{sub 1.94(4)} B{sub 3}, a new structure type containing planar trans zigzag B{sub 4} units, is another example which illustrates the tendency of metal-rich borides to form B-B bonds with increasing boron content. Beside the B{sub 4} fragment it exhibits one-dimensional chains of titanium atoms and hold one-dimensional strings of face-sharing empty tetrahedral and square pyramidal clusters (see figure). Highlights

  1. Deposition of CdS nanoparticles on MIL-53(Fe) metal-organic framework with enhanced photocatalytic degradation of RhB under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Longxing, E-mail: hulxhhhb@shu.edu.cn [School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444 (China); Deng, Guihua [School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444 (China); Lu, Wencong [College of Sciences, Shanghai University, Shanghai 200444 (China); Pang, Siwei; Hu, Xing [School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444 (China)

    2017-07-15

    Graphical abstract: The CdS/MIL-53(Fe) photocatalyst has been synthesized by a facile two-step solvothermal method and applied for photocatalytic degradation of organic pollutant RhB under visible light irradiation. - Highlights: • A novel CdS/MIL-53(Fe) photocatalyst was successfully synthesized via a facile two-step solvothermal method. • CdS/MIL-53(Fe) exhibited an enhanced visible-light photocatalytic degradation of RhB in water. • The mechanisms for the formation of CdS/MIL-53(Fe) and photocatalytic degradation of RhB were proposed. - Abstract: A novel composite, CdS/MIL-53(Fe), was successfully fabricated via a facile solvothermal method and characterized with XRD, SEM, TEM, XPS, FT-IR and UV–vis DRS. The results showed that the fabrication was able to result in a good dispersion of CdS nanoparticles onto MIL-53(Fe). The photocatalytic activities of the as-synthesized composite were investigated through the degradation of Rhodamine B (RhB) in water under visible light irradiation. It was found that the composite prepared at the mass ratio of CdS to MIL-53(Fe) of 1.5:1 displayed the highest photocatalytic activity. An approximately 92.5% of photocatalytic degradation of RhB was achieved at 0.5 g/L of 1.5-CdS/MIL dosage, 10 mg/L of initial RhB concentration and 23 °C of reaction temperature under visible light irradiation. The RhB photocatalytic degradation followed well the first-order kinetics equation and the increased catalyst dosage and optimal initial RhB concentration were responsible for the enhanced photocatalytic degradation. Quenching tests revealed that the predominant free radicals in the CdS/MIL-(53)-RhB{sub aq}-visible light system was O{sub 2}{sup −}·; nevertheless, h{sup +} and ·OH also contributed to a certain degree. The enhanced photocatalytic performance was ascribed to the formation of heterojunction structure between CdS and MIL-53(Fe) which significantly suppressed the recombination of photogenerated electron-hole pairs

  2. Deposition of CdS nanoparticles on MIL-53(Fe) metal-organic framework with enhanced photocatalytic degradation of RhB under visible light irradiation

    International Nuclear Information System (INIS)

    Hu, Longxing; Deng, Guihua; Lu, Wencong; Pang, Siwei; Hu, Xing

    2017-01-01

    Graphical abstract: The CdS/MIL-53(Fe) photocatalyst has been synthesized by a facile two-step solvothermal method and applied for photocatalytic degradation of organic pollutant RhB under visible light irradiation. - Highlights: • A novel CdS/MIL-53(Fe) photocatalyst was successfully synthesized via a facile two-step solvothermal method. • CdS/MIL-53(Fe) exhibited an enhanced visible-light photocatalytic degradation of RhB in water. • The mechanisms for the formation of CdS/MIL-53(Fe) and photocatalytic degradation of RhB were proposed. - Abstract: A novel composite, CdS/MIL-53(Fe), was successfully fabricated via a facile solvothermal method and characterized with XRD, SEM, TEM, XPS, FT-IR and UV–vis DRS. The results showed that the fabrication was able to result in a good dispersion of CdS nanoparticles onto MIL-53(Fe). The photocatalytic activities of the as-synthesized composite were investigated through the degradation of Rhodamine B (RhB) in water under visible light irradiation. It was found that the composite prepared at the mass ratio of CdS to MIL-53(Fe) of 1.5:1 displayed the highest photocatalytic activity. An approximately 92.5% of photocatalytic degradation of RhB was achieved at 0.5 g/L of 1.5-CdS/MIL dosage, 10 mg/L of initial RhB concentration and 23 °C of reaction temperature under visible light irradiation. The RhB photocatalytic degradation followed well the first-order kinetics equation and the increased catalyst dosage and optimal initial RhB concentration were responsible for the enhanced photocatalytic degradation. Quenching tests revealed that the predominant free radicals in the CdS/MIL-(53)-RhB aq -visible light system was O 2 − ·; nevertheless, h + and ·OH also contributed to a certain degree. The enhanced photocatalytic performance was ascribed to the formation of heterojunction structure between CdS and MIL-53(Fe) which significantly suppressed the recombination of photogenerated electron-hole pairs. Moreover, the

  3. State promotion and neutralization of ions near metal surface

    International Nuclear Information System (INIS)

    Zinoviev, A.N.

    2011-01-01

    Research highlights: → Multiply charged ion and the charge induced in the metal form a dipole. → Dipole states are promoted into continuum with decreasing ion-surface distance. → These states cross the states formed from metal atom. → Proposed model explains the dominant population of deep bound states. → Observed spectra of emitted Auger electrons prove this promotion model. -- Abstract: When a multiply charged ion with charge Z approaches the metal surface, a dipole is formed by the multiply charged ion and the charge induced in the metal. The states for such a dipole are promoted into continuum with decreasing ion-surface distance and cross the states formed from metal atom. The model proposed explains the dominant population of deep bound states in collisions considered.

  4. A thermodynamic description of the system Pd-Rh-H-D-T

    Energy Technology Data Exchange (ETDEWEB)

    Joubert, J.-M., E-mail: jean-marc.joubert@icmpe.cnrs.fr [Chimie Metallurgique des Terres Rares, Institut de Chimie et des Materiaux Paris-Est, CNRS, Universite Paris-Est, UMR 7182, 2-8 Rue Henri Dunant, F-94320 Thiais (France); Thiebaut, S. [CEA/DAM/Valduc, F-21120 Is sur Tille (France)

    2011-02-15

    The quinary system D-H-Pd-Rh-T has been described thermodynamically by the CALPHAD approach. Previous descriptions of the binary subsystems have been used. To model the high pressure data an equation of state for the gases D{sub 2} and T{sub 2} compatible with the CALPHAD approach has been obtained similar to that previously used for H{sub 2}. A complete literature search has been undertaken for the three ternary systems H-Pd-Rh, D-Pd-Rh and Pd-Rh-T and the most significant experimental data have been selected for a thermodynamic assessment of these systems. In order to complement the available data, pressure-composition curves have been measured at different temperatures for the two last systems in the present work. Calculations and optimization of the system under para-equilibrium conditions, i.e. in pseudo-binary systems (Pd,Rh)-H, (Pd,Rh)-D or (Pd,Rh)-T, have been achieved using a pseudo-atom describing the Pd-Rh solid solution. This special method allows the presence of a miscibility gap in the binary metallic system to be dealt with. We show that a simple combination of the binary systems alone is unable to properly describe these ternary systems and that ternary interaction parameters have to be introduced. The binary and ternary systems may then be combined to perform calculations in the quinary D-H-Pd-Rh-T system. It is believed that extrapolation in systems containing different isotopes are fairly accurate provided that the so-called Toop model is used.

  5. Phase relations and gibbs energies in the system Mn-Rh-O

    Science.gov (United States)

    Jacob, K. T.; Sriram, M. V.

    1994-07-01

    Phase relations in the system Mn-Rh-O are established at 1273 K by equilibrating different compositions either in evacuated quartz ampules or in pure oxygen at a pressure of 1.01 × 105 Pa. The quenched samples are examined by optical microscopy, X-ray diffraction, and energy-dispersive X-ray analysis (EDAX). The alloys and intermetallics in the binary Mn-Rh system are found to be in equilibrium with MnO. There is only one ternary compound, MnRh2O4, with normal spinel structure in the system. The compound Mn3O4 has a tetragonal structure at 1273 K. A solid solution is formed between MnRh2O4 and Mn3O4. The solid solution has the cubic structure over a large range of composition and coexists with metallic rhodium. The partial pressure of oxygen corresponding to this two-phase equilibrium is measured as a function of the composition of the spinel solid solution and temperature. A new solid-state cell, with three separate electrode compartments, is designed to measure accurately the chemical potential of oxygen in the two-phase mixture, Rh + Mn3-2xRh2xO4, which has 1 degree of freedom at constant temperature. From the electromotive force (emf), thermodynamic mixing properties of the Mn3O4-MnRh2O4 solid solution and Gibbs energy of formation of MnRh2O4 are deduced. The activities exhibit negative deviations from Raoult’s law for most of the composition range, except near Mn3O4, where a two-phase region exists. In the cubic phase, the entropy of mixing of the two Rh3+ and Mn3+ ions on the octahedral site of the spinel is ideal, and the enthalpy of mixing is positive and symmetric with respect to composition. For the formation of the spinel (sp) from component oxides with rock salt (rs) and orthorhombic (orth) structures according to the reaction, MnO (rs) + Rh2O3 (orth) → MnRh2O4 (sp), ΔG° = -49,680 + 1.56T (±500) J mol-1 The oxygen potentials corresponding to MnO + Mn3O4 and Rh + Rh2O3 equilibria are also obtained from potentiometric measurements on galvanic

  6. RH Packaging Program Guidance

    International Nuclear Information System (INIS)

    2006-01-01

    The purpose of this program guidance document is to provide the technical requirements for use, operation, inspection, and maintenance of the RH-TRU 72-B Waste Shipping Package and directly related components. This document complies with the requirements as specified in the RH-TRU 72-B Safety Analysis Report for Packaging (SARP), and Nuclear Regulatory Commission (NRC) Certificate of Compliance (C of C) 9212. If there is a conflict between this document and the SARP and/or C of C, the C of C shall govern. The C of C states: 'each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application.' It further states: 'each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application.' Chapter 9.0 of the SARP tasks the Waste Isolation Pilot Plant (WIPP) Management and Operating (M and O) Contractor with assuring the packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with 10 Code of Federal Regulations (CFR) 1.8, 'Deliberate Misconduct.' Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the U.S. Department of Energy (DOE) Carlsbad Field Office (CBFO) shall be notified immediately. CBFO will evaluate the issue and notify the NRC if required. In accordance with 10 CFR Part 71, 'Packaging and Transportation of Radioactive Material,' certificate holders, packaging users, and contractors or subcontractors who use, design, fabricate, test, maintain, or modify the packaging shall post copies of (1) 10 CFR Part 21, 'Reporting of Defects and Noncompliance,' regulations, (2) Section 206 of the Energy Reorganization Act of 1974, and (3) NRC Form 3, Notice to Employees. These documents must be posted in a conspicuous location where the activities subject to these

  7. The Mechanism of Rh-Catalyzed Transformation of Fatty Acids to Linear Alpha olefins

    Directory of Open Access Journals (Sweden)

    Sondre H. Hopen Eliasson

    2017-12-01

    Full Text Available Linear alpha olefins (LAOs are key commodity chemicals and petrochemical intermediates that are currently produced from fossil resources. Fatty acids are the obvious renewable starting material for LAOs, which can be obtained via transition-metal-catalyzed decarbonylative dehydration. However, even the best catalysts that have been obtained to date, which are based on palladium, are not active and stable enough for industrial use. To provide insight for design of better catalysts, we here present the first computationally derived mechanism for another attractive transition-metal for this reaction, rhodium. By comparing the calculated mechanisms and free energy profiles for the two metals, Pd and Rh, we single out important factors for a facile, low-barrier reaction and for a stable catalyst. While the olefin formation is rate limiting for both of the metals, the rate-determining intermediate for Rh is, in contrast to Pd, the starting complex, (PPh32Rh(COCl. This complex largely draws its stability from the strength of the Rh(I–CO bond. CO is a much less suitable ligand for the high-oxidation state Rh(III. However, for steric reasons, rhodium dissociates a bulkier triphenylphosphine and keeps the carbonyl during the oxidative addition, which is less favorable than for Pd. When compared to Pd, which dissociates two phosphine ligands at the start of the reaction, the catalytic activity of Rh also appears to be hampered by its preference for high coordination numbers. The remaining ancillary ligands leave less space for the metal to mediate the reaction.

  8. Deposition of CdS nanoparticles on MIL-53(Fe) metal-organic framework with enhanced photocatalytic degradation of RhB under visible light irradiation

    Science.gov (United States)

    Hu, Longxing; Deng, Guihua; Lu, Wencong; Pang, Siwei; Hu, Xing

    2017-07-01

    A novel composite, CdS/MIL-53(Fe), was successfully fabricated via a facile solvothermal method and characterized with XRD, SEM, TEM, XPS, FT-IR and UV-vis DRS. The results showed that the fabrication was able to result in a good dispersion of CdS nanoparticles onto MIL-53(Fe). The photocatalytic activities of the as-synthesized composite were investigated through the degradation of Rhodamine B (RhB) in water under visible light irradiation. It was found that the composite prepared at the mass ratio of CdS to MIL-53(Fe) of 1.5:1 displayed the highest photocatalytic activity. An approximately 92.5% of photocatalytic degradation of RhB was achieved at 0.5 g/L of 1.5-CdS/MIL dosage, 10 mg/L of initial RhB concentration and 23 °C of reaction temperature under visible light irradiation. The RhB photocatalytic degradation followed well the first-order kinetics equation and the increased catalyst dosage and optimal initial RhB concentration were responsible for the enhanced photocatalytic degradation. Quenching tests revealed that the predominant free radicals in the CdS/MIL-(53)-RhBaq-visible light system was O2-rad ; nevertheless, h+ and rad OH also contributed to a certain degree. The enhanced photocatalytic performance was ascribed to the formation of heterojunction structure between CdS and MIL-53(Fe) which significantly suppressed the recombination of photogenerated electron-hole pairs. Moreover, the reusability of 1.5-CdS/MIL composite was also studied.

  9. RH Packaging Program Guidance

    International Nuclear Information System (INIS)

    Washington TRU Solutions, LLC

    2003-01-01

    The purpose of this program guidance document is to provide technical requirements for use, operation, inspection, and maintenance of the RH-TRU 72-B Waste Shipping Package and directly related components. This document complies with the requirements as specified in the RH-TRU 72-B Safety Analysis Report for Packaging (SARP), and Nuclear Regulatory Commission (NRC) Certificate of Compliance (C of C) 9212. If there is a conflict between this document and the SARP and/or C of C, the SARP and/or C of C shall govern. The C of C states: ''...each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, ''Operating Procedures,'' of the application.'' It further states: ''...each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, ''Acceptance Tests and Maintenance Program of the Application.'' Chapter 9.0 of the SARP tasks the Waste Isolation Pilot Plant (WIPP) Management and Operating (M and O) contractor with assuring the packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC approved, users need to be familiar with 10 CFR (section) 71.11, ''Deliberate Misconduct.'' Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. CBFO will evaluate the issue and notify the NRC if required. This document details the instructions to be followed to operate, maintain, and test the RH-TRU 72-B packaging. This Program Guidance standardizes instructions for all users. Users shall follow these instructions. Following these instructions assures that operations are safe and meet the requirements of the SARP. This document is available on the Internet at: ttp://www.ws/library/t2omi/t2omi.htm. Users are responsible for ensuring they are using the current revision and change notices. Sites may prepare their own document using the word

  10. A Series of Supramolecular Complexes for Solar Energy Conversion via Water Reduction to Produce Hydrogen: An Excited State Kinetic Analysis of Ru(II,Rh(III,Ru(II Photoinitiated Electron Collectors

    Directory of Open Access Journals (Sweden)

    Shamindri M. Arachchige

    2011-12-01

    Full Text Available Mixed-metal supramolecular complexes have been designed that photochemically absorb solar light, undergo photoinitiated electron collection and reduce water to produce hydrogen fuel using low energy visible light. This manuscript describes these systems with an analysis of the photophysics of a series of six supramolecular complexes, [{(TL2Ru(dpp}2RhX2](PF65 with TL = bpy, phen or Ph2phen with X = Cl or Br. The process of light conversion to a fuel requires a system to perform a number of complicated steps including the absorption of light, the generation of charge separation on a molecular level, the reduction by one and then two electrons and the interaction with the water substrate to produce hydrogen. The manuscript explores the rate of intramolecular electron transfer, rate of quenching of the supramolecules by the DMA electron donor, rate of reduction of the complex by DMA from the 3MLCT excited state, as well as overall rate of reduction of the complex via visible light excitation. Probing a series of complexes in detail exploring the variation of rates of important reactions as a function of sub-unit modification provides insight into the role of each process in the overall efficiency of water reduction to produce hydrogen. The kinetic analysis shows that the complexes display different rates of excited state reactions that vary with TL and halide. The role of the MLCT excited state is elucidated by this kinetic study which shows that the 3MLCT state and not the 3MMCT is likely that key contributor to the photoreduction of these complexes. The kinetic analysis of the excited state dynamics and reactions of the complexes are important as this class of supramolecules behaves as photoinitiated electron collectors and photocatalysts for the reduction of water to hydrogen.

  11. High-spin level structure and Ground-state phase transition in the odd-mass 103-109Rh isotopes in the framework of exactly solvable sdg interacting boson-fermion model

    Science.gov (United States)

    Ghapanvari, M.; Ghorashi, A. H.; Ranjbar, Z.; Jafarizadeh, M. A.

    2018-03-01

    In this article, the negative-parity states in the odd-mass 103 - 109Rh isotopes in terms of the sd and sdg interacting-boson fermion models were studied. The transitional interacting boson-fermion model Hamiltonians in sd and sdg-IBFM versions based on affine SU (1 , 1) Lie Algebra were employed to describe the evolution from the spherical to deformed gamma unstable shapes along with the chain of Rh isotopes. In this method, sdg-IBFM Hamiltonian, which is a three level pairing Hamiltonian was determined easily via the exactly solvable method. Some observables of the shape phase transitions such as energy levels, the two neutron separation energies, signature splitting of the γ-vibrational band, the α-decay and double β--decay energies were calculated and examined for these isotopes. The present calculation correctly reproduces the spherical to gamma-soft phase transition in the Rh isotopes. Some comparisons were made with sd-IBFM.

  12. Scattering of fast neutrons from 103Rh

    International Nuclear Information System (INIS)

    Barnard, E.; Reitmann, D.

    1978-01-01

    The scattering of fast neutrons from 103 Rh was studied by means of (n, n), (n, n') and (n, n'γ) measurements at neutron energies up to 2 MeV. More than fifty unknown γ-transitions were identified and a level scheme established which includes fifteen unreported excited states. Branching ratios, spins and parities for these levels were deduced, as well as the effective activation cross sections for the 103 Rh(n, n')sup(103m)Rh reaction. The results are compared with existing data and with calculations based on the optical and statistical models. (Auth.)

  13. Emission Spectroscopy as a Probe into Photoinduced Intramolecular Electron Transfer in Polyazine Bridged Ru(II,Rh(III Supramolecular Complexes

    Directory of Open Access Journals (Sweden)

    Karen J. Brewer

    2010-08-01

    Full Text Available Steady-state and time-resolved emission spectroscopy are valuable tools to probe photochemical processes of metal-ligand, coordination complexes. Ru(II polyazine light absorbers are efficient light harvesters absorbing in the UV and visible with emissive 3MLCT excited states known to undergo excited state energy and electron transfer. Changes in emission intensity, energy or band-shape, as well as excited state lifetime, provide insight into excited state dynamics. Photophysical processes such as intramolecular electron transfer between electron donor and electron acceptor sub-units may be investigated using these methods. This review investigates the use of steady-state and time-resolved emission spectroscopy to measure excited state intramolecular electron transfer in polyazine bridged Ru(II,Rh(III supramolecular complexes. Intramolecular electron transfer in these systems provides for conversion of the emissive 3MLCT (metal-to-ligand charge transfer excited state to a non-emissive, but potentially photoreactive, 3MMCT (metal-to-metal charge transfer excited state. The details of the photophysics of Ru(II,Rh(III and Ru(II,Rh(III,Ru(II systems as probed by steady-state and time-resolved emission spectroscopy will be highlighted.

  14. Magnetic Ground State Properties of Transition Metals

    DEFF Research Database (Denmark)

    Andersen, O. K.; Madsen, J.; Poulsen, U. K.

    1977-01-01

    We review a simple one-electron theory of the magnetic and cohesive properties of ferro- and nearly ferromagnetic transition metals at 0 K. The theory is based on the density functional formalism, it makes use of the local spin density and atomic sphere approximations and it may, with further app...

  15. Rh Factor Blood Test

    Science.gov (United States)

    ... Also, talk with your health care provider about scheduling an Rh immune globulin injection during your pregnancy ... of Privacy Practices Notice of Nondiscrimination Manage Cookies Advertising Mayo Clinic is a not-for-profit organization ...

  16. RH Packaging Operations Manual

    International Nuclear Information System (INIS)

    Washington TRU Solutions LLC

    2003-01-01

    This procedure provides operating instructions for the RH-TRU 72-B Road Cask, Waste Shipping Package. In this document, ''Packaging'' refers to the assembly of components necessary to ensure compliance with the packaging requirements (not loaded with a payload). ''Package'' refers to a Type B packaging that, with its radioactive contents, is designed to retain the integrity of its containment and shielding when subject to the normal conditions of transport and hypothetical accident test conditions set forth in 10 CFR Part 71. Loading of the RH 72-B cask can be done two ways, on the RH cask trailer in the vertical position or by removing the cask from the trailer and loading it in a facility designed for remote-handling (RH). Before loading the 72-B cask, loading procedures and changes to the loading procedures for the 72-B cask must be sent to CBFO at sitedocuments at wipp.ws for approval

  17. Electronic structure of Rh-based CuRh0.9Mg0.1O2 oxide thermoelectrics

    Science.gov (United States)

    Vilmercati, P.; Martin, E.; Cheney, C. Parks; Bondino, F.; Magnano, E.; Parmigiani, F.; Sasagawa, T.; Mannella, N.

    2013-03-01

    The electronic structure of the Rh-based CuRh0.9Mg0.1O2 oxide thermoelectric compound has been studied with a multitechnique approach consisting of photoemission, x-ray absorption, and x-ray emission spectroscopies. The data indicate that the region of the valence band in the proximity of the Fermi level is dominated by Rh-derived states. These findings outline the importance of the electronic structure of the Rh ions for the large thermoelectric power in CuRh0.9Mg0.1O2 at high temperature.

  18. Expression of the GnRH and GnRH receptor (GnRH-R) genes in the hypothalamus and of the GnRH-R gene in the anterior pituitary gland of anestrous and luteal phase ewes.

    Science.gov (United States)

    Ciechanowska, Magdalena; Lapot, Magdalena; Malewski, Tadeusz; Mateusiak, Krystyna; Misztal, Tomasz; Przekop, Franciszek

    2008-11-01

    Data exists showing that seasonal changes in the innervations of GnRH cells in the hypothalamus and functions of some neural systems affecting GnRH neurons are associated with GnRH release in ewes. Consequently, we put the question as to how the expression of GnRH gene and GnRH-R gene in the hypothalamus and GnRH-R gene in the anterior pituitary gland is reflected with LH secretion in anestrous and luteal phase ewes. Analysis of GnRH gene expression by RT-PCR in anestrous ewes indicated comparable levels of GnRH mRNA in the preoptic area, anterior and ventromedial hypothalamus. GnRH-R mRNA at different concentrations was found throughout the preoptic area, anterior and ventromedial hypothalamus, stalk/median eminence and in the anterior pituitary gland. The highest GnRH-R mRNA levels were detected in the stalk/median eminence and in the anterior pituitary gland. During the luteal phase of the estrous cycle in ewes, the levels of GnRH mRNA and GnRH-R mRNA in all structures were significantly higher than in anestrous ewes. Also LH concentrations in blood plasma of luteal phase ewes were significantly higher than those of anestrous ewes. In conclusion, results from this study suggest that low expression of the GnRH and GnRH-R genes in the hypothalamus and of the GnRH-R gene in the anterior pituitary gland, amongst others, may be responsible for a decrease in LH secretion and the anovulatory state in ewes during the long photoperiod.

  19. The complex metal-rich boride Ti1+xRh2-x+yIr3-yB3 (x=0.68, y=1.06) with a new structure type containing B4 zigzag fragments: Synthesis, crystal chemistry and theoretical calculations

    Science.gov (United States)

    Goerens, Christian; Fokwa, Boniface P. T.

    2012-08-01

    Polycrystalline samples and single crystals of the new complex boride Ti1+xRh2-x+yIr3-yB3 (x=0.68; y=1.06) were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere and characterized by X-Ray diffraction as well as EDX measurements. The crystal structure was refined on the basis of single crystal data. The new phase, which represents a new structure type containing trans zigzag B4 fragments as well as isolated boron atoms crystallizes in the orthorhombic space group Pbam (Nr. 55) with the lattice parameters a=8.620(1) Å, b=14.995(2) Å and c=3.234(1) Å. First-principles density functional theory calculations using the Vienna ab-initio simulation package (VASP) were performed on an appropriate structural model (using a supercell approach) and the experimental crystallographic data could be reproduced accurately. Based on this model, the density of states and crystal orbital Hamilton population (for bonding analysis) were calculated, using the linear muffin-tin orbital atomic sphere approximation (LMTO-ASA) method. According to these calculations, this metal-rich compound should be metallic, as expected. Furthermore, very strong boron-boron interactions are observed in the trans zigzag B4 fragment, which induce a clear differentiation of two types of metal-boron contacts with different strength. The observed three-dimensional metal-metal interaction is in good agreement with the predicted metallic behavior.

  20. Electronic structure and magnetic properties of quaternary Heusler alloys CoRhMnZ (Z = Al, Ga, Ge and Si) via first-principle calculations

    Energy Technology Data Exchange (ETDEWEB)

    Benkabou, M. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université DjillaliLiabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Rached, H. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université DjillaliLiabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Département de Physique, Faculté des Sciences, Université Hassiba Benbouali, Chlef 02000 (Algeria); Abdellaoui, A. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université DjillaliLiabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Rached, D., E-mail: rachdj@yahoo.fr [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université DjillaliLiabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière, (LPQ3M), Université de Mascara, Mascara 29000 (Algeria); and others

    2015-10-25

    First-principle calculations are performed to predict the electronic structure and elastic and magnetic properties of CoRhMnZ (Z = Al, Ga, Ge and Si) Heusler alloys. The calculations employ the full-potential linearized augmented plane wave. The exchange-correlations are treated within the generalized gradient approximation of Perdew–Burke and Ernzerhof (GGA-PBE). The electronic structure calculations show that these compounds exhibit a gap in the minority states band and are clearly half-metallic ferromagnets, with the exception of the CoRhMnAl and CoRhMnGa, which are simple ferromagnets that are nearly half metallic in nature. The CoRhMnGe and CoRhMnSi compounds and their magnetic moments are in reasonable agreement with the Slater-Pauling rule, which indicates the half metallicity and high spin polarization for these compounds. At the pressure transitions, these compounds undergo a structural phase transition from the Y-type I → Y-type II phase. We have determined the elastic constants C{sub 11}, C{sub 12} and C{sub 44} and their pressure dependence, which have not previously been established experimentally or theoretically. - Highlights: • Based on DFT calculations, CoRhMnZ (Z = Al, Ga, Ge and Si) Heusler alloys were investigated. • The magnetic phase stability was determined from the total energy calculations. • The mechanical properties were investigated.

  1. Charge state of ions scattered by metal surface

    International Nuclear Information System (INIS)

    Kishinevsky, L.M.; Parilis, E.S.; Verleger, V.K.

    1976-01-01

    A model for description of charge distributions for scattering of heavy ions in the keV region, on metal surfaces developing and improving the method of Van der Weg and Bierman, and taking into account the connection between the ion charge state and scattering kinematics, is proposed. It is shown that multiple charged particles come from ions with a vacancy in the inner shell while the outer shell vacancies give only single charged ions and neutrals. The approximately linear increase of degree of ionization with normal velocity, and the non-monotonic charge dependence of the energy spectrum established by Chicherov and Buck et al is explained by considering irreversible neutralization in the depth of the metal, taking into account the connection of the charge state with the shape of trajectory and its location relative to the metal surface. The dependence of charge state on surface structure is discussed. Some new experiments are proposed. (author)

  2. A state of the art on metallic fuel technology development

    International Nuclear Information System (INIS)

    Hwang, Woan; Kang, Hee Young; Nam, Cheol; Kim, Jong Oh

    1997-01-01

    Since worldwide interest turned toward ceramic fuels before the full potential of metallic fuel could be achieved in the late 1960's, the development of metallic fuels continued throughout the 1970's at ANL's experimental breeder reactor II (EBR-II) because EBR-II continued to be fueled with the metallic uranium-fissium alloy, U-5Fs. During this decade the performance limitations of metallic fuel were satisfactorily resolved resolved at EBR-II. The concept of the IFR developed at ANL since 1984. The technical feasibility had been demonstrated and the technology database had been established to support its practicality. One key features of the IFR is that the fuel is metallic, which brings pronounced benefits over oxide in improved inherent safety and lower processing costs. At the outset of the 1980's, it appeared that metallic fuels are recognized as a professed viable option with regard to safety, integral fuel cycle, waste minimization and deployment economics. This paper reviews the key advances in the last score and summarizes the state-of the art on metallic fuel technology development. (author). 29 refs., 1 tab

  3. A state of the art on metallic fuel technology development

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Woan; Kang, Hee Young; Nam, Cheol; Kim, Jong Oh [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1997-12-31

    Since worldwide interest turned toward ceramic fuels before the full potential of metallic fuel could be achieved in the late 1960`s, the development of metallic fuels continued throughout the 1970`s at ANL`s experimental breeder reactor II (EBR-II) because EBR-II continued to be fueled with the metallic uranium-fissium alloy, U-5Fs. During this decade the performance limitations of metallic fuel were satisfactorily resolved resolved at EBR-II. The concept of the IFR developed at ANL since 1984. The technical feasibility had been demonstrated and the technology database had been established to support its practicality. One key features of the IFR is that the fuel is metallic, which brings pronounced benefits over oxide in improved inherent safety and lower processing costs. At the outset of the 1980`s, it appeared that metallic fuels are recognized as a professed viable option with regard to safety, integral fuel cycle, waste minimization and deployment economics. This paper reviews the key advances in the last score and summarizes the state-of the art on metallic fuel technology development. (author). 29 refs., 1 tab.

  4. Equation of state and thermodynamic properties of BCC metals

    Directory of Open Access Journals (Sweden)

    Vu Van Hung, N.T. Hoa

    2017-10-01

    Full Text Available The moment method in statistical dynamics is used to study the equation of state and thermodynamic properties of the bcc metals taking into account the anharmonicity effects of the lattice vibrations and hydrostatic pressures. The explicit expressions of the lattice constant, thermal expansion  oefficient, and the specific heats of the bcc metals are derived within the fourth order moment approximation. The termodynamic quantities of W, Nb, Fe,and Ta metals are calculated as a function of the pressure, and they are in good agreement with the corresponding results obtained from the first principles calculations and experimental results. The effective pair potentials work well for the calculations of bcc metals.

  5. Laser-induced desorption determinations of surface diffusion on Rh(111)

    International Nuclear Information System (INIS)

    Seebauer, E.G.; Schmidt, L.D.

    1987-01-01

    Surface diffusion of hydrogen, deuterium and CO on Rh(111) has been investigated by laser-induced thermal desorption (LITD) and compared with previous results for these species on Pt(111) and on other metals. For deuterium in the coverage range 0.02 0 - 8 x 10 -2 cm 2 /s, with a diffusion activation energy 3.7 0 rises from 10 -3 to 10 -2 cm 2 /s between θ = 0.01 and 0.40. Values of E/sub diff/ on different surfaces appear to correlate with differences in heats of adsorption in different binding states which form saddle point configurations in surface diffusion. In addition, oxidation reactions on Rh and on several other transition metal surfaces may be limited to CO or H surface diffusion. 30 refs., 3 figs., 1 tab

  6. High temperature equation of state of metallic hydrogen

    International Nuclear Information System (INIS)

    Shvets, V. T.

    2007-01-01

    The equation of state of liquid metallic hydrogen is solved numerically. Investigations are carried out at temperatures from 3000 to 20 000 K and densities from 0.2 to 3 mol/cm 3 , which correspond both to the experimental conditions under which metallic hydrogen is produced on earth and the conditions in the cores of giant planets of the solar system such as Jupiter and Saturn. It is assumed that hydrogen is in an atomic state and all its electrons are collectivized. Perturbation theory in the electron-proton interaction is applied to determine the thermodynamic potentials of metallic hydrogen. The electron subsystem is considered in the randomphase approximation with regard to the exchange interaction and the correlation of electrons in the local-field approximation. The proton-proton interaction is taken into account in the hard-spheres approximation. The thermodynamic characteristics of metallic hydrogen are calculated with regard to the zero-, second-, and third-order perturbation theory terms. The third-order term proves to be rather essential at moderately high temperatures and densities, although it is much smaller than the second-order term. The thermodynamic potentials of metallic hydrogen are monotonically increasing functions of density and temperature. The values of pressure for the temperatures and pressures that are characteristic of the conditions under which metallic hydrogen is produced on earth coincide with the corresponding values reported by the discoverers of metallic hydrogen to a high degree of accuracy. The temperature and density ranges are found in which there exists a liquid phase of metallic hydrogen

  7. A large economic liquid metal reactor for United States utilities

    International Nuclear Information System (INIS)

    Rodwell, E.

    1985-01-01

    The United States has demonstrated its ability to build and operate small and medium sized liquid metal reactors and continues to operate the Experimental Breeder Reactor II and the Fast Flux Test Facility to demonstrate long life fuel designs. Similar-sized liquid metal reactors in Europe have been followed by a step-up to the 1200 MWe capacity of the Superphenix plant. To permit the United States to make a similar step-up in capacity, a 1320 MWe liquid metal reactor plant has been designed with the main emphasis on minimizing the specific capital cost in order to be competitive with light water reactor plant and fossil plant alternatives. The design is based on a four parallel heat transport loops arrangement and complies with current regulatory requirements. The primary heat transport loops are now being integrated into the reactor vessel to achieve further reduction in the capital cost

  8. Quasiparticles in the superconducting state of high-Tc metals

    International Nuclear Information System (INIS)

    Amusia, M.Ya.; Shaginyan, V.R.

    2003-01-01

    The behavior of quasiparticles in the superconducting state of high-T c metals within the framework of the theory of superconducting state based on the fermion condensation quantum phase transition is considered. It is shown that the behavior coincides with the behavior of Bogoliubov quasiparticles, whereas the maximum value of the superconducting gap and other exotic properties are determined by the presence of the fermion condensate. If at low temperatures the normal state is recovered by the application of a magnetic field suppressing the superconductivity, the induced state can be viewed as Landau-Fermi liquid. These observations are in good agreement with recent experimental facts [ru

  9. Photonuclear excitation of 103Rh by synchrotron radiation

    International Nuclear Information System (INIS)

    Kaji, Harumi; Yoshihara, Kenji; Mukoyama, Takeshi; Nakajima, Tetsuo

    1989-01-01

    Photonuclear excitation of 103 Rh nucleus was studied by the use of synchrotron radiation at KEK. Formation of excited state was confirmed by observing Rh K X-rays emitted following the isomeric transition of 103m Rh with a low-energy photon spectrometer. The induced activity due to 103 Rh(γ,γ') 103m Rh reaction was determined carefully by subtracting the fluorescent K X-rays due to natural background radiation. The integral cross-section for 103m Rh by resonance absorption at 295 keV is found to be (1∼2)x10 -28 cm 2 ·eV and is compared with that estimated from the previous experimental value for the 1277-keV level and the calculated value

  10. {sup 103}Rh NMR investigation of the superconductor Rh{sub 17}S{sub 15}

    Energy Technology Data Exchange (ETDEWEB)

    Koyama, T., E-mail: t-koyama@sci.u-hyogo.ac.j [Graduate School of Material Science, University of Hyogo, Kamigori, Hyogo 678-1297 (Japan); Kanda, K.; Motoyama, G.; Ueda, K.; Mito, T.; Kohara, T. [Graduate School of Material Science, University of Hyogo, Kamigori, Hyogo 678-1297 (Japan); Nakamura, H. [Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501 (Japan)

    2010-12-15

    We present {sup 103}Rh NMR studies for the superconductor Rh{sub 17}S{sub 15} (T{sub c} 5.4 K). We have identified the observed NMR lines corresponding to four different Rh sites in the cubic unit cell and deduced the temperature (T) dependence of the Knight shift components in Rh 24m site whose point symmetry is not axial. The isotropic part of the Knight shift K decreases with T in the normal state, indicating the negative hyperfine coupling and the enhancement of the spin susceptibility at lower T. The sudden change of K below T{sub c} is an indication of the spin-singlet Cooper paring.

  11. {sup 103}Rh-NMR studies in the superconductor Rh{sub 17}S{sub 15}

    Energy Technology Data Exchange (ETDEWEB)

    Koyama, T; Kanda, K; Ueda, K; Mito, T; Kohara, T [Graduate School of Material Science, University of Hyogo, Kamigori, Hyogo 678-1297 (Japan); Nakamura, H, E-mail: t-koyama@sci.u-hyogo.ac.j [Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501 (Japan)

    2010-01-15

    {sup 103}Rh nuclear magnetic resonance (NMR) measurements have been performed in the superconductor Rh{sub 17}S{sub 15} with the transition temperature T{sub C}=5.4 K. The observed {sup 103}Rh-NMR spectrum shows an asymmetric shape with several peaks, reflecting the local symmetry around each Rh site. We have identified the observed NMR lines corresponding to four different Rh sites and obtained the temperature (T) dependence of the Knight shift of 24m site. The isotropic part of the Knight shift K{sub iso} decreases with decreasing T, indicating the existence of the electron correlation in Rh{sub 17}S{sub 15}. In the superconducting state, the resonance lines shift to higher frequencies owing to a decrease of the spin part of the Knight shift with negative hyperfine coupling.

  12. Rh-Based Mixed Alcohol Synthesis Catalysts: Characterization and Computational Report

    Energy Technology Data Exchange (ETDEWEB)

    Albrecht, Karl O.; Glezakou, Vassiliki Alexandra; Rousseau, Roger J.; Engelhard, Mark H.; Varga, Tamas; Colby, Robert J.; Jaffe, John E.; Li, Xiaohong S.; Mei, Donghai; Windisch, Charles F.; Kathmann, Shawn M.; Lemmon, Teresa L.; Gray, Michel J.; Hart, Todd R.; Thompson, Becky L.; Gerber, Mark A.

    2013-08-01

    initio molecular dynamics calculations was initiated in 2009. Computational investigations were performed first to elucidate understanding of the nature of the catalytically active site. Thermodynamic calculations revealed that Mn likely exists as a metallic alloy with Rh in Rh-rich environments under reducing conditions at the temperatures of interest. After determining that reduced Rh-Mn alloy metal clusters were in a reduced state, the activation energy barriers of numerous transition state species on the catalytically active metal particles were calculated to compute the activation barriers of several reaction pathways that are possible on the catalyst surface. Comparison of calculations with a Rh nanoparticle versus a Rh-Mn nanoparticle revealed that the presence of Mn enabled the reaction pathway of CH with CO to form an adsorbed CHCO species, which was a precursor to C2+ oxygenates. The presence of Mn did not have a significant effect on the rate of CH4 production. Ir was observed during empirical catalyst screening experiments to improve the activity and selectivity of Rh-Mn catalysts. Thus, the addition of Ir to the Rh-Mn nanoparticles also was probed computationally. Simulations of Rh-Mn-Ir nanoparticles revealed that, with sufficient Ir concentrations, the Rh, Mn and Ir presumably would be well mixed within a nanoparticle. Activation barriers were calculated for Rh-Mn-Ir nanoparticles for several C-, H-, and O-containing transitional species on the nanoparticle surface. It was found that the presence of Ir opened yet another reactive pathway whereby HCO is formed and may undergo insertion with CHx surface moieties. The reaction pathway opened by the presence of Ir is in addition to the CO + CH pathway opened by the presence of Mn. Similar to Mn, the presence of Ir was not found to not affect the rate of CH4 production.

  13. Stability of the geometrically frustrated magnetic state of Ca3CoRhO6 to applications of positive and negative pressure

    International Nuclear Information System (INIS)

    Mohapatra, Niharika; Iyer, Kartik K; Jammalamadaka, S Narayana; Sampathkumaran, E V; Rayaprol, Sudhindra

    2008-01-01

    The influence of negative chemical pressure induced by gradual replacement of Ca by Sr as well as of external pressure (up to 10 kbar) on the magnetism of Ca 3 CoRhO 6 has been investigated by magnetization studies. It is found that the solid solution, Ca 3-x Sr x CoRhO 6 , exists at least until about x = 1.0 without any change in the crystal structure. Apart from insensitivity of the spin-chain feature to volume expansion, the characteristic features of geometrical frustration interestingly appear at the same temperatures for all compositions, in sharp contrast to the response to Y substitution for Ca (reported previously). Interestingly, the huge frequency dependence of ac susceptibility known for the parent compound persists for all compositions. We do not find a change in the properties under external pressure. The stability of the magnetic anomalies of this compound to volume change (about 4%) is puzzling

  14. Direct Solid-State Conversion of Recyclable Metals and Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Z; Manchiraju, K [Southwire Co.

    2012-02-22

    This project is to develop and demonstrate the concept feasibility of a highly energy-efficient solid-state material synthesis process, friction stir extrusion (FSE) technology. Specifically, the project seeks to explore and demonstrate the feasibility to recycle metals, produce nano-particle dispersion strengthened bulk materials and/or nano-composite materials from powders, chips or other recyclable feedstock metals or scraps through mechanical alloying and thermo-mechanical processing in a single-step. In this study, we focused on metal recycling, producing nano-engineered wires and evaluating their potential use in future generation long-distance electric power delivery infrastructure. More comprehensive R&D on the technology fundamentals and system scale-up toward early-stage applications in two targeted “showcase” fields of use: nano engineered bulk materials and Al recycling will be considered and planned as part of Project Continuation Plan.

  15. Mechanics of metal-catecholate complexes: The roles of coordination state and metal types

    Science.gov (United States)

    Xu, Zhiping

    2013-01-01

    There have been growing evidences for the critical roles of metal-coordination complexes in defining structural and mechanical properties of unmineralized biological materials, including hardness, toughness, and abrasion resistance. Their dynamic (e.g. pH-responsive, self-healable, reversible) properties inspire promising applications of synthetic materials following this concept. However, mechanics of these coordination crosslinks, which lays the ground for predictive and rational material design, has not yet been well addressed. Here we present a first-principles study of representative coordination complexes between metals and catechols. The results show that these crosslinks offer stiffness and strength near a covalent bond, which strongly depend on the coordination state and type of metals. This dependence is discussed by analyzing the nature of bonding between metals and catechols. The responsive mechanics of metal-coordination is further mapped from the single-molecule level to a networked material. The results presented here provide fundamental understanding and principles for material selection in metal-coordination-based applications. PMID:24107799

  16. Metallic stereostructured layer: An approach for broadband polarization state manipulation

    International Nuclear Information System (INIS)

    Xiong, Xiang; Hu, Yuan-Sheng; Jiang, Shang-Chi; Hu, Yu-Hui; Fan, Ren-Hao; Ma, Guo-Bin; Shu, Da-Jun; Peng, Ru-Wen; Wang, Mu

    2014-01-01

    In this letter, we report a full-metallic broadband wave plate assembled by standing metallic L-shaped stereostructures (LSSs). We show that with an array of LSSs, high polarization conversion ratio is achieved within a broad frequency band. Moreover, by rotating the orientation of the array of LSSs, the electric components of the reflection beam in two orthogonal directions and their phase difference can be independently tuned. In this way, all the polarization states on the Poincaré sphere can be realized. As examples, the functionalities of a quarter wave plate and a half wave plate are experimentally demonstrated with both reflection spectra and focal-plane-array imaging. Our designing provides a unique approach in realizing the broadband wave plate to manipulate the polarization state of light

  17. Origin of room temperature ferromagnetic moment in Rh-rich [Rh/Fe] multilayer thin films

    International Nuclear Information System (INIS)

    Kande, Dhishan; Laughlin, David; Zhu Jiangang

    2010-01-01

    B2 ordered FeRh thin films switch from antiferromagnetic (AFM) to ferromagnetic (FM) state on heating above 350 K and switch back on cooling, with a hysteresis. This property makes FeRh a very attractive choice as a write-assist layer material for low temperature heat assisted magnetic recording (HAMR) media. Studies have shown that as we decrease the thickness of the FeRh films, the B2 phase is no longer AFM even below 350 K and there is a thickness dependant FM stabilization of the B2 phase. It was also proved that slightly Rh-richer compositions (>50 at. % Rh) were more preferable to stabilize the AFM phase. The current study focuses on growing highly ordered FeRh films by alternate layer rf sputtering of thin layers of iron and rhodium onto a heated substrate. It has been shown that films with rhodium content beyond 55 at. % contain a disordered bcc FM phase which gives rise to residual moment at room temperature even for thicker films.

  18. Metal prices in the United States through 2010

    Science.gov (United States)

    ,

    2013-01-01

    This report, which updates and revises the U.S. Geological Survey (USGS) (1999) publication, “Metal Prices in the United States Through 1998,” presents an extended price history for a wide range of metals available in a single document. Such information can be useful for the analysis of mineral commodity issues, as well as for other purposes. The chapter for each mineral commodity includes a graph of annual current and constant dollar prices for 1970 through 2010, where available; a list of significant events that affected prices; a brief discussion of the metal and its history; and one or more tables that list current dollar prices. In some cases, the metal prices presented herein are for some alternative form of an element or, instead of a price, a value, such as the value for an import as appraised by the U.S. Customs Service. Also included are the prices for steel, steel scrap, and iron ore—steel because of its importance to the elements used to alloy with it, and steel scrap and iron ore because of their use in steelmaking. A few minor metals, such as calcium, potassium, sodium, strontium, and thorium, for which price histories were insufficient, were excluded. The annual prices given may be averages for the year, yearend prices, or some other price as appropriate for a particular commodity. Certain trade journals have been the source of much of this price information—American Metal Market, ICIS Chemical Business, Engineering and Mining Journal, Industrial Minerals, Metal Bulletin, Mining Journal, Platts Metals Week, Roskill Information Services Ltd. commodity reports, and Ryan’s Notes. Price information also is available in minerals information publications of the USGS (1880–1925, 1996–present) and the U.S. Bureau of Mines (1926–95), such as Mineral Commodity Summaries, Mineral Facts and Problems, Mineral Industry Surveys, and Minerals Yearbook. In addition to prices themselves, these journals and publications contain information relevant to

  19. Noble metal nanoparticle-functionalized ZnO nanoflowers for photocatalytic degradation of RhB dye and electrochemical sensing of hydrogen peroxide

    DEFF Research Database (Denmark)

    Hussain, Muhammad; Sun, Hongyu; Karim, Shafqat

    2016-01-01

    Flower-like hierarchical Zinc oxide nanostructures synthesized by co-precipitation method have been hydrothermally functionalized with 8 nm Au NPs and 15 nm Ag nanoparticles. The photocatalytic and electrochemical performance of these structures are investigated. XPS studies show that the composite...... exhibits a strong interaction between noble metal nanoparticles (NPs) and Zinc oxide nanoflowers. The PL spectra exhibit UV emission arising due to near band edge transition and show that the reduced PL intensities of Au–ZnO and Ag–ZnO composites are responsible for improved photocatalytic activity arising...

  20. Synthesis, crystal structure investigation and magnetism of the complex metal-rich boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) with Th{sub 7}Fe{sub 3}-type structure

    Energy Technology Data Exchange (ETDEWEB)

    Misse, Patrick R.N.; Mbarki, Mohammed [Institute of Inorganic Chemistry, RWTH Aachen University, 52066 Aachen (Germany); Fokwa, Boniface P.T., E-mail: boniface.fokwa@ac.rwth-aachen.de [Institute of Inorganic Chemistry, RWTH Aachen University, 52066 Aachen (Germany)

    2012-08-15

    Powder samples and single crystals of the new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) have been synthesized by arc-melting the elements under purified argon atmosphere on a water-cooled copper crucible. The products, which have metallic luster, were structurally characterized by single-crystal and powder X-ray diffraction as well as EDX measurements. Within the whole solid solution range the hexagonal Th{sub 7}Fe{sub 3} structure type (space group P6{sub 3}mc, no. 186, Z=2) was identified. Single-crystal structure refinement results indicate the presence of chromium at two sites (6c and 2b) of the available three metal Wyckoff sites, with a pronounced preference for the 6c site. An unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors in the solid solution: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. - Graphical abstract: The new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) has been synthesized by arc melting the elements under purified argon atmosphere. Beside the 3d/4d site preference within the whole solid solution, an unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. Highlights: Black-Right-Pointing-Pointer Synthesis of a new boride series fulfilling Vegard Acute-Accent s rule. Black-Right-Pointing-Pointer 3d/4d site preference. Black-Right-Pointing-Pointer Unexpected Ru/Rh site preference. Black-Right-Pointing-Pointer Rh-rich region is Pauli paramagnetic. Black-Right-Pointing-Pointer Ru-rich region is Pauli and temperature-dependent paramagnetic.

  1. The law of corresponding states and surface tension of metals

    International Nuclear Information System (INIS)

    Digilov, R.

    2001-01-01

    Full Text: Surface tension of liquid metals is one of fundamental and most important quantities in theory and practice of material processing and its temperature dependence leads to the well-known Marangoni convection. Although currently methods are sufficiently precise to measure the surface tension, there are uncertainties in experimental data and its temperature dependence mainly due to impurity, which even a trace of it strongly affects the results of measurements. The theoretical treatment from the first principles is unwieldy and not always permits one to calculate the surface tension with certainty. Another active research field deals with empirical correlation between the surface tension and bulk thermodynamic properties, which we interpret as a simple consequence of the law of corresponding states. In order to relate the surface tension and to bulk properties of liquid metals the reduced formula is derived by scaling with the melting point T m (0) at p = 0 and atomic volume Ω 0 2/3 at T = 0 K as macroscopic parameters for scaling ε and a characterizing the interatomic potential in metals. The reduced surface tension and the reduced surface entropy obtained in high temperature limit are discussed and compared with the experiment. The reduced temperature coefficient of the surface tension found is a universal constant for the metals of the same structure. It is shown that pressure dependence of the surface tension, so called baric coefficient of the surface tension, can be described by pressure dependence of scaling parameters T m (p) and Ω 0 (p). (author)

  2. Spectroscopy of the odd-odd chiral candidate nucleus 102Rh

    Directory of Open Access Journals (Sweden)

    Yavahchova M.S.

    2014-03-01

    Full Text Available Excited states in 102Rh were populated in the fusion-evaporation reaction 94Zr(11B, 3n102Rh at a beam energy of 36 MeV, using the INGA spectrometer at IUAC, New Delhi. The angular correlations and the electromagnetic character of some of the 03B3-ray transitions observed in 102Rh were investigated in detail. A new candidate for achiral twin band was identified in 102Rh for the first time.

  3. Photonuclear excitation of 103Rh by synchrotron radiation

    International Nuclear Information System (INIS)

    Yoshihara, Kenji; Kaji, Harumi; Sekine, Tsutomu; Mukoyama, Takeshi

    1989-01-01

    Photonuclear excitation of the 103 Rh nucleus was studied using synchrotron radiation. Formation of the excited state was confirmed by observing K X-rays emitted following the isomeric transition of the 103m Rh with a low-energy photon spectrometer. The intensity of induced activity due to 103 Rh(γ,γ') 103m Rh reaction was determined carefully by subtracting the fluorescent K X-rays due to natural background radiation. The integral cross-section for isomer production of 103m Rh by resonance absorption of photons at 295 keV is found to be (2.1±0.8) x 10 -28 cm 2 eV and is compared with that estimated from the previous experimental value for the 1277-keV level. (author)

  4. Hydroformylation of 1-Hexene over Rh/Nano-Oxide Catalysts

    Directory of Open Access Journals (Sweden)

    Sari Suvanto

    2013-03-01

    Full Text Available The effect of nanostructured supports on the activity of Rh catalysts was studied by comparing the catalytic performance of nano- and bulk-oxide supported Rh/ZnO, Rh/SiO2 and Rh/TiO2 systems in 1-hexene hydroformylation. The highest activity with 100% total conversion and 96% yield of aldehydes was obtained with the Rh/nano-ZnO catalyst. The Rh/nano-ZnO catalyst was found to be more stable and active than the corresponding rhodium catalyst supported on bulk ZnO. The favorable morphology of Rh/nano-ZnO particles led to an increased metal content and an increased number of weak acid sites compared to the bulk ZnO supported catalysts. Both these factors favored the improved catalytic performance. Improvements of catalytic properties were obtained also with the nano-SiO2 and nano-TiO2 supports in comparison with the bulk supports. All of the catalysts were characterized by scanning electron microscope (SEM, inductively coupled plasma mass spectrometry (ICP-MS, BET, powder X-ray diffraction (PXRD and NH3- temperature-programmed desorption (TPD.

  5. Structure and catalytic reactivity of Rh oxides

    DEFF Research Database (Denmark)

    Gustafson, J.; Westerström, R.; Resta, A.

    2009-01-01

    Using a combination of experimental and theoretical techniques, we show that a thin RhO2 surface oxide film forms prior to the bulk Rh2O3 corundum oxide on all close-packed single crystal Rh surfaces. Based on previous reports, we argue that the RhO2 surface oxide also forms on vicinal Rh surface...

  6. Reorientation precession measurements of quadrupole moments in 103Rh

    International Nuclear Information System (INIS)

    Gelberg, A.; Herskind, B.; Kalish, R.; Neiman, M.

    1976-01-01

    The quadrupole moments of the 3/2 - and 5/2 - states in 103 Rh have been determined by measuring the precession of the gamma-ray angular distribution following Coulomb excitation; 16 O and 32 S beams have been used. The structure of the negative-parity states in 103 Rh is found to be in agreement with the model of Arima and Iachello. (orig.) [de

  7. Part I: A Comparative Thermal Aging Study on the Regenerability of Rh/Al2O3 and Rh/CexOy-ZrO2 as Model Catalysts for Automotive Three Way Catalysts

    Directory of Open Access Journals (Sweden)

    Qinghe Zheng

    2015-10-01

    Full Text Available The rhodium (Rh component in automotive three way catalysts (TWC experiences severe thermal deactivation during fuel shutoff, an engine mode (e.g., at downhill coasting used for enhancing fuel economy. In a subsequent switch to a slightly fuel rich condition, in situ catalyst regeneration is accomplished by reduction with H2 generated through steam reforming catalyzed by Rh0 sites. The present work reports the effects of the two processes on the activity and properties of 0.5% Rh/Al2O3 and 0.5% Rh/CexOy-ZrO2 (CZO as model catalysts for Rh-TWC. A very brief introduction of three way catalysts and system considerations is also given. During simulated fuel shutoff, catalyst deactivation is accelerated with increasing aging temperature from 800 °C to 1050 °C. Rh on a CZO support experiences less deactivation and faster regeneration than Rh on Al2O3. Catalyst characterization techniques including BET surface area, CO chemisorption, TPR, and XPS measurements were applied to examine the roles of metal-support interactions in each catalyst system. For Rh/Al2O3, strong metal-support interactions with the formation of stable rhodium aluminate (Rh(AlO2y complex dominates in fuel shutoff, leading to more difficult catalyst regeneration. For Rh/CZO, Rh sites were partially oxidized to Rh2O3 and were relatively easy to be reduced to active Rh0 during regeneration.

  8. Remote-Handled Transuranic Waste Content Codes (RH-Trucon)

    International Nuclear Information System (INIS)

    2006-01-01

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC). The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: (1) A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. (2) A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is ''3''. The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR

  9. Direct Solid-State Conversion of Recyclable Metals and Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kiran Manchiraju

    2012-03-27

    Friction Stir Extrusion (FSE) is a novel energy-efficient solid-state material synthesis and recycling technology capable of producing large quantity of bulk nano-engineered materials with tailored, mechanical, and physical properties. The novelty of FSE is that it utilizes the frictional heating and extensive plastic deformation inherent to the process to stir, consolidate, mechanically alloy, and convert the powders, chips, and other recyclable feedstock materials directly into useable product forms of highly engineered materials in a single step (see Figure 1). Fundamentally, FSE shares the same deformation and metallurgical bonding principles as in the revolutionary friction stir welding process. Being a solid-state process, FSE eliminates the energy intensive melting and solidification steps, which are necessary in the conventional metal synthesis processes. Therefore, FSE is highly energy-efficient, practically zero emissions, and economically competitive. It represents a potentially transformational and pervasive sustainable manufacturing technology for metal recycling and synthesis. The goal of this project was to develop the technological basis and demonstrate the commercial viability of FSE technology to produce the next generation highly functional electric cables for electricity delivery infrastructure (a multi-billion dollar market). Specific focus of this project was to (1) establish the process and material parameters to synthesize novel alloys such as nano-engineered materials with enhanced mechanical, physical, and/or functional properties through the unique mechanical alloying capability of FSE, (2) verifying the expected major energy, environmental, and economic benefits of FSE technology for both the early stage 'showcase' electric cable market and the anticipated pervasive future multi-market applications across several industry sectors and material systems for metal recycling and sustainable manufacturing.

  10. A first-principles study of the possible magnetism of Rh in the Cu/Rh/Cu(001) system

    CERN Document Server

    Jang, Y R; Chang, C S; Cho, L H; Lee, J I

    1999-01-01

    Possible 4d magnetism of a Rh monolayer in a Cu/Rh/Cu(001) system is investigated using the full-potential linearized augmented-plane-wave (FLAPW) energy band method based on the local-spin-density approximation (LSDA). We have calculated the total energy of the Cu/Rh/Cu(001) system and have found that the Rh monolayer is ferromagnetic (FM) with a tiny magnetic moment. However, the total energy difference between the ferromagnetic and the paramagnetic states is found to be very small, and thus which state can be realized at room temperature is uncertain. The calculated charge densities and layer-projected density of states (LDOS) are presented and discussed in relation to the magnetic properties.

  11. Probing the electronic properties of ternary A n M3n-1B2n (n = 1: A = Ca, Sr; M = Rh, Ir and n = 3: A = Ca, Sr; M = Rh) phases: observation of superconductivity.

    Science.gov (United States)

    Takeya, Hiroyuki; ElMassalami, Mohammed; Terrazos, Luis A; Rapp, Raul E; Capaz, Rodrigo B; Fujii, Hiroki; Takano, Yoshihiko; Doerr, Mathias; Granovsky, Sergey A

    2013-06-01

    We follow the evolution of the electronic properties of the titled homologous series when n as well as the atomic type of A and M are varied where for n = 1, A = Ca, Sr and M = Rh, Ir while for n = 3, A = Ca, Sr and M = Rh. The crystal structure of n = 1 members is known to be CaRh 2 B 2 -type ( Fddd ), while that of n = 3 is Ca 3 Rh 8 B 6 -type ( Fmmm ); the latter can be visualized as a stacking of structural fragments from AM 3 B 2 ( P 6/ mmm ) and AM 2 B 2 . The metallic properties of the n = 1 and 3 members are distinctly different: on the one hand, the n = 1 members are characterized by a linear coefficient of the electronic specific heat γ ≈ 3 mJ mol -1 K -2 , a Debye temperature θ D ≈ 300 K, a normal conductivity down to 2 K and a relatively strong linear magnetoresistivity for fields up to 150 kOe. The n = 3 family, on the other hand, exhibits γ ≈ 18 mJ mol -1 K -2 , θ D ≈ 330 K, a weak linear magnetoresistivity and an onset of superconductivity (for Ca 3 Rh 8 B 6 , T c = 4.0 K and H c2 = 14.5 kOe, while for Sr 3 Rh 8 B 6 , T c = 3.4 K and H c2 ≈ 4.0 kOe). These remarkable differences are consistent with the findings of the electronic band structures and density of state (DOS) calculations. In particular, satisfactory agreement between the measured and calculated γ was obtained. Furthermore, the Fermi level, E F , of Ca 3 Rh 8 B 6 lies at almost the top of a pronounced local DOS peak, while that of CaRh 2 B 2 lies at a local valley: this is the main reason behind the differences between the, e.g., superconducting properties. Finally, although all atoms contribute to the DOS at E F , the contribution of the Rh atoms is the strongest.

  12. Probing the electronic properties of ternary AnM3n−1B2n (n = 1: A = Ca, Sr; M = Rh, Ir and n = 3: A = Ca, Sr; M = Rh phases: observation of superconductivity

    Directory of Open Access Journals (Sweden)

    Hiroyuki Takeya, Mohammed ElMassalami, Luis A Terrazos, Raul E Rapp, Rodrigo B Capaz, Hiroki Fujii, Yoshihiko Takano, Mathias Doerr and Sergey A Granovsky

    2013-01-01

    Full Text Available We follow the evolution of the electronic properties of the titled homologous series when n as well as the atomic type of A and M are varied where for n = 1, A = Ca, Sr and M = Rh, Ir while for n = 3, A = Ca, Sr and M = Rh. The crystal structure of n = 1 members is known to be CaRh2B2-type (Fddd, while that of n = 3 is Ca3Rh8B6-type (Fmmm; the latter can be visualized as a stacking of structural fragments from AM3B2 (P6/mmm and AM2B2. The metallic properties of the n = 1 and 3 members are distinctly different: on the one hand, the n = 1 members are characterized by a linear coefficient of the electronic specific heat γ ≈ 3 mJ mol−1 K−2, a Debye temperature θD ≈ 300 K, a normal conductivity down to 2 K and a relatively strong linear magnetoresistivity for fields up to 150 kOe. The n = 3 family, on the other hand, exhibits γ ≈ 18 mJ mol−1 K−2, θD ≈ 330 K, a weak linear magnetoresistivity and an onset of superconductivity (for Ca3Rh8B6, Tc = 4.0 K and Hc2 = 14.5 kOe, while for Sr3Rh8 B6, Tc = 3.4 K and Hc2 ≈ 4.0 kOe. These remarkable differences are consistent with the findings of the electronic band structures and density of state (DOS calculations. In particular, satisfactory agreement between the measured and calculated γ was obtained. Furthermore, the Fermi level, EF, of Ca3Rh8B6 lies at almost the top of a pronounced local DOS peak, while that of CaRh2B2 lies at a local valley: this is the main reason behind the differences between the, e.g., superconducting properties. Finally, although all atoms contribute to the DOS at EF, the contribution of the Rh atoms is the strongest.

  13. Probing the electronic properties of ternary AnM3n−1B2n (n = 1: A = Ca, Sr; M = Rh, Ir and n = 3: A = Ca, Sr; M = Rh) phases: observation of superconductivity

    Science.gov (United States)

    Takeya, Hiroyuki; ElMassalami, Mohammed; Terrazos, Luis A; Rapp, Raul E; Capaz, Rodrigo B; Fujii, Hiroki; Takano, Yoshihiko; Doerr, Mathias; Granovsky, Sergey A

    2013-01-01

    We follow the evolution of the electronic properties of the titled homologous series when n as well as the atomic type of A and M are varied where for n = 1, A = Ca, Sr and M = Rh, Ir while for n = 3, A = Ca, Sr and M = Rh. The crystal structure of n = 1 members is known to be CaRh2B2-type (Fddd), while that of n = 3 is Ca3Rh8B6-type (Fmmm); the latter can be visualized as a stacking of structural fragments from AM3B2 (P6/mmm) and AM2B2. The metallic properties of the n = 1 and 3 members are distinctly different: on the one hand, the n = 1 members are characterized by a linear coefficient of the electronic specific heat γ ≈ 3 mJ mol−1 K−2, a Debye temperature θD ≈ 300 K, a normal conductivity down to 2 K and a relatively strong linear magnetoresistivity for fields up to 150 kOe. The n = 3 family, on the other hand, exhibits γ ≈ 18 mJ mol−1 K−2, θD ≈ 330 K, a weak linear magnetoresistivity and an onset of superconductivity (for Ca3Rh8B6, Tc = 4.0 K and Hc2 = 14.5 kOe, while for Sr3Rh8 B6, Tc = 3.4 K and Hc2 ≈ 4.0 kOe). These remarkable differences are consistent with the findings of the electronic band structures and density of state (DOS) calculations. In particular, satisfactory agreement between the measured and calculated γ was obtained. Furthermore, the Fermi level, EF, of Ca3Rh8B6 lies at almost the top of a pronounced local DOS peak, while that of CaRh2B2 lies at a local valley: this is the main reason behind the differences between the, e.g., superconducting properties. Finally, although all atoms contribute to the DOS at EF, the contribution of the Rh atoms is the strongest. PMID:27877576

  14. Synthesis, crystal structure investigation and magnetism of the complex metal-rich boride series Crx(Rh1-yRuy)7-xB3 (x=0.88-1; y=0-1) with Th7Fe3-type structure

    Science.gov (United States)

    Misse, Patrick R. N.; Mbarki, Mohammed; Fokwa, Boniface P. T.

    2012-08-01

    Powder samples and single crystals of the new complex boride series Crx(Rh1-yRuy)7-xB3 (x=0.88-1; y=0-1) have been synthesized by arc-melting the elements under purified argon atmosphere on a water-cooled copper crucible. The products, which have metallic luster, were structurally characterized by single-crystal and powder X-ray diffraction as well as EDX measurements. Within the whole solid solution range the hexagonal Th7Fe3 structure type (space group P63mc, no. 186, Z=2) was identified. Single-crystal structure refinement results indicate the presence of chromium at two sites (6c and 2b) of the available three metal Wyckoff sites, with a pronounced preference for the 6c site. An unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors in the solid solution: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region.

  15. Environmental application of millimetre-scale sponge iron (s-Fe"0) particles (IV): New insights into visible light photo-Fenton-like process with optimum dosage of H_2O_2 and RhB photosensitizers

    International Nuclear Information System (INIS)

    Ju, Yongming; Yu, Yunjiang; Wang, Xiaoyan; Xiang, Mingdeng; Li, Liangzhong; Deng, Dongyang; Dionysiou, Dionysios D.

    2017-01-01

    Highlights: • Synergistic action of Rhodamine B (RhB), visible light, H_2O_2 and s-Fe"0 is essential. • The complexes of RhB and Fe"3"+ eject one electron via ligand-to-metal charge-transfer. • RhB assists the photo-Fenton-like removal of tetrabromobisphenol A (TBBPA). - Abstract: In this study, we firstly develop the photo-Fenton-like system with millimetric sponge iron (s-Fe"0), H_2O_2, visible light (vis, λ ≥ 420 nm) and rhodamine B (RhB), and present a comprehensive study concerning the mechanism. Thus, we investigate (1) the adsorption of RhB onto s-Fe"0, (2) the photo-Fenton-like removal of RhB over iron oxides generated from the corrosion of s-Fe"0, (3) the homogeneous photo-Fenton removal of RhB over Fe"2"+ or Fe"3"+, (4) the Fe"3"+-RhB complexes, and (5) the photo-Fenton-like removal of tetrabromobisphenol A (TBBPA). The results show that neither the adsorption process over s-Fe"0 nor the photo-Fenton-like process over FeOOH, Fe_3O_4 and Fe_2O_3, achieved efficient removal of RhB. For comparison, in homogeneous photo-Fenton process, the presence of Fe"3"+ ions, rather than Fe"2"+ ions, effectively eliminated RhB. Furthermore, the UV–vis spectra showing new absorbance at ∼ 285 nm indicate the complexes of RhB and Fe"3"+ ions, adopting vis photons to form excited state and further eject one electron via ligand-to-metal charge-transfer to activate H_2O_2. Additionally, efficient TBBPA removal was obtained only in the presence of RhB. Accordingly, the s-Fe"0– based photo-Fenton-like process assisted with dyestuff wastewater is promising for removing a series of persistent organic pollutants.

  16. Thermophysical properties of 22 pure metals in the solid and liquid state - The pulse-heating data collection

    Science.gov (United States)

    Hüpf, T.; Cagran, C.; Pottlacher, G.

    2011-05-01

    The workgroup of subsecond thermophysics in Graz has a long tradition in performing fast pulseheating experiments on metals and alloys. Thereby, wire-shaped specimens are rapidly heated (108 K/s) by a large current-pulse (104 A). This method provides thermophysical properties like volume-expansion, enthalpy and electrical resistivity up to the end of the liquid phase. Today, no more experiments on pure metals are to be expected, because almost all elements, which are suitable for pulse-heating so far, have been investigated. The requirements for pulse-heating are: a melting point which is high enough to enable pyrometric temperature measurements and the availability of wire-shaped specimens. These elements are: Co, Cu, Au, Hf, In, Ir, Fe, Pb, Mo, Ni, Nb, Pd, Pt, Re, Rh, Ag, Ta, Ti, W, V, Zn, and Zr. Hence, it is the correct time to present the results in a collected form. We provide data for the above mentioned quantities together with basic information on each material. The uniqueness of this compilation is the high temperature range covered and the homogeneity of the measurement conditions (the same method, the same laboratory, etc.). The latter makes it a good starting point for comparative analyses (e.g. a comparison of all 22 enthalpy traces is in first approximation conform with the rule of Dulong-Petit which states heat capacity - the slope of enthalpy traces - as a function of the number of atoms). The data is useful for input parameters in numerical simulations and it is a major purpose of our ongoing research to provide data for simulations of casting processes for the metal working industry. This work demonstrates some examples of how a data compilation like this can be utilized. Additionally, the latest completive measurement results on Ag, Ni, Ti, and Zr are described.

  17. Thermophysical properties of 22 pure metals in the solid and liquid state – The pulse-heating data collection

    Directory of Open Access Journals (Sweden)

    Pottlacher G.

    2011-05-01

    Full Text Available The workgroup of subsecond thermophysics in Graz has a long tradition in performing fast pulseheating experiments on metals and alloys. Thereby, wire-shaped specimens are rapidly heated (108 K/s by a large current-pulse (104 A. This method provides thermophysical properties like volume-expansion, enthalpy and electrical resistivity up to the end of the liquid phase. Today, no more experiments on pure metals are to be expected, because almost all elements, which are suitable for pulse-heating so far, have been investigated. The requirements for pulse-heating are: a melting point which is high enough to enable pyrometric temperature measurements and the availability of wire-shaped specimens. These elements are: Co, Cu, Au, Hf, In, Ir, Fe, Pb, Mo, Ni, Nb, Pd, Pt, Re, Rh, Ag, Ta, Ti, W, V, Zn, and Zr. Hence, it is the correct time to present the results in a collected form. We provide data for the above mentioned quantities together with basic information on each material. The uniqueness of this compilation is the high temperature range covered and the homogeneity of the measurement conditions (the same method, the same laboratory, etc.. The latter makes it a good starting point for comparative analyses (e.g. a comparison of all 22 enthalpy traces is in first approximation conform with the rule of Dulong-Petit which states heat capacity – the slope of enthalpy traces – as a function of the number of atoms. The data is useful for input parameters in numerical simulations and it is a major purpose of our ongoing research to provide data for simulations of casting processes for the metal working industry. This work demonstrates some examples of how a data compilation like this can be utilized. Additionally, the latest completive measurement results on Ag, Ni, Ti, and Zr are described.

  18. Calculation of the band structure of GdCo2, GdRh2 e GdIr2 by the APW method

    International Nuclear Information System (INIS)

    Carvalho, J.A.B. de.

    1974-03-01

    The band structure of GdCo 2 , GdRh 2 , GdIr 2 has been calculated by the APW method. A histogram of the density of states is presented for each compound. The bands are transition-metal-like, with s-d hybridization near the Fermi level. The 5d character near the Fermi level increases as one goes from Co to Ir

  19. Three equations of state and their application to transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Tian Ronggang; Sun Jiuxun; Yang Wei; Yu Fei, E-mail: sjx@uestc.edu.c [Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054 (China)

    2010-10-15

    A modified generalized Morse (mGMSE) equation of state (EOS) is proposed that can incorporate the cohesive energy data correctly. It is compared with a four-parameter modified Rose (MR) EOS, which is proposed by following Rose's approach, and the Murnaghan (MNH) EOS. The MR, mGMSE and MNH EOSs are applied to five transition metals and then compared to the available experimental compression data. The results obtained show that for all pressure ranges, the mGMSE EOS fits experimental data most accurately. From a comparison of the variation in pressure and energy versus the compression ratio between MR and mGMSE EOSs, it is clear that the pressure and energy of the MR EOS oscillate both in the neighborhood of (V/V{sub 0}) {approx} 0.005 and in the range (V/V{sub 0})> 1. Generally speaking, the mGMSE EOS has many evident advantages over the other two EOSs, while the practical applications of the MR EOS are seriously limited because of physically incorrect oscillations.

  20. Three equations of state and their application to transition metals

    International Nuclear Information System (INIS)

    Tian Ronggang; Sun Jiuxun; Yang Wei; Yu Fei

    2010-01-01

    A modified generalized Morse (mGMSE) equation of state (EOS) is proposed that can incorporate the cohesive energy data correctly. It is compared with a four-parameter modified Rose (MR) EOS, which is proposed by following Rose's approach, and the Murnaghan (MNH) EOS. The MR, mGMSE and MNH EOSs are applied to five transition metals and then compared to the available experimental compression data. The results obtained show that for all pressure ranges, the mGMSE EOS fits experimental data most accurately. From a comparison of the variation in pressure and energy versus the compression ratio between MR and mGMSE EOSs, it is clear that the pressure and energy of the MR EOS oscillate both in the neighborhood of (V/V 0 ) ∼ 0.005 and in the range (V/V 0 )> 1. Generally speaking, the mGMSE EOS has many evident advantages over the other two EOSs, while the practical applications of the MR EOS are seriously limited because of physically incorrect oscillations.

  1. Three equations of state and their application to transition metals

    Science.gov (United States)

    Ronggang, Tian; Jiuxun, Sun; Wei, Yang; Fei, Yu

    2010-10-01

    A modified generalized Morse (mGMSE) equation of state (EOS) is proposed that can incorporate the cohesive energy data correctly. It is compared with a four-parameter modified Rose (MR) EOS, which is proposed by following Rose's approach, and the Murnaghan (MNH) EOS. The MR, mGMSE and MNH EOSs are applied to five transition metals and then compared to the available experimental compression data. The results obtained show that for all pressure ranges, the mGMSE EOS fits experimental data most accurately. From a comparison of the variation in pressure and energy versus the compression ratio between MR and mGMSE EOSs, it is clear that the pressure and energy of the MR EOS oscillate both in the neighborhood of (V/V0 ) ≈ 0.005 and in the range (V/V0 )> 1. Generally speaking, the mGMSE EOS has many evident advantages over the other two EOSs, while the practical applications of the MR EOS are seriously limited because of physically incorrect oscillations.

  2. Hall-effect characterization of the metamagnetic transition in FeRh

    International Nuclear Information System (INIS)

    De Vries, M A; Loving, M; Lewis, L H; Mihai, A P; Marrows, C H; Heiman, D

    2013-01-01

    The antiferromagnetic ground state and the metamagnetic transition to the ferromagnetic state of CsCl-ordered FeRh epilayers have been characterized using Hall and magnetoresistance measurements. On cooling into the ground state, the metamagnetic transition is found to coincide with a suppression in carrier density of at least an order of magnitude below the typical metallic level that is shown by the ferromagnetic state. The carrier density in the antiferromagnetic state is limited by intrinsic doping from Fe/Rh substitution defects, with approximately two electrons per pair of atoms swapped, showing that the decrease in carrier density could be even larger in more perfect specimens. The surprisingly large change in carrier density is a clear quantitative indication of the extent of change at the Fermi surface at the metamagnetic transition, confirming that entropy release at the transition is of electronic origin, and hence that an electronic transition underlies the metamagnetic transition. Regarding the nature of this electronic transition, it is suggested that an orbital selective Mott transition, selective to strongly-correlated Fe 3d electrons, could cause the reduction in the Fermi surface and change in sign of the magnetic exchange from FM to AF on cooling. (paper)

  3. Synthesis of hydrides of some metals in macrocrystalline state

    International Nuclear Information System (INIS)

    Fokin, V.N.; Fokina, Eh.Eh.; Shilkin, S.P.

    1996-01-01

    Yttrium and lanthanum trihydrides from compact metals and titanium, zirconium and vanadium dihydrides from the relevant metallic powder have been prepared at room temperature under the pressure of 0.5-3.0 MPa, and with the temperature increase up to 150-200 deg C calcium, strontium and barium dihydrides from compact metals have been prepared by means of hydrogenation with high-purity hydrogen featuring a high chemical activity. 15 refs., 1 tab

  4. Chemoselective hydrogenation of arenes by PVP supported Rh nanoparticles

    DEFF Research Database (Denmark)

    Ibrahim, Mahmoud; Poreddy, Raju; Philippot, Karine

    2016-01-01

    Polyvinylpyrrolidone-stabilized Rh nanoparticles (RhNPs/PVP) of ca. 2.2 nm in size were prepared by the hydrogenation of the organometallic complex [Rh(η3-C3H5)3] in the presence of PVP and evaluated as a catalyst in the hydrogenation of a series of arene substrates as well as levulinic acid...... for the hydrogenation of levulinic acid and methyl levulinate in water leading to quantitative formation of the fuel additive γ-valerolactone under moderate reaction conditions compared to previously reported catalytic systems....... and methyl levulinate. The catalyst showed excellent activity and selectivity towards aromatic ring hydrogenation compared to other reported transition metal-based catalysts under mild reaction conditions (room temperature and 1 bar H2). Furthermore, it was shown to be a highly promising catalyst...

  5. Synthesis and electronic properties of LnRhAsO and LnIrAsO compositions

    International Nuclear Information System (INIS)

    Muir, Sean; Sleight, A.W.; Subramanian, M.A.

    2011-01-01

    The synthesis and characterization of the new compositions LnRhAsO (Ln=Ce, Nd) and LnIrAsO (Ln=La, Ce, Nd) are reported. These compounds crystallize in the ZrCuSiAs type structure, isostructural to iron pnictide LnFeAsO materials. Upon substitution of Rh for Fe, both a and c lattice parameters increase relative to 3d transition metal compounds; however, when Ir is substituted for Rh the a-parameter decreases slightly while the c-parameter expands. The decrease in a lattice parameter corresponds to a short metal-metal distance in Ir compounds. CeRhAsO and CeIrAsO compositions show abrupt decreases in resistivity at 7 and 10 K, respectively, coinciding with a small shift in magnetization at the transition temperature. - Graphical abstract: LnIrAsO (Ln=La, Ce, Nd) and LnRhAsO (Ln=Ce, Rh) have been synthesized. These new transition metal oxypnictide compositions are isostructural to LaFeAsO. The 5d Ir compositions demonstrate a shorter metal-metal interaction than the 4d Rh compositions. Highlights: → LnIrAsO (Ln=La, Ce, Nd) and LnRhAsO (Ln=Ce, Nd) have been synthesized. → Ir compositions show a decreased a-parameter and increased c-parameter relative to Rh compositions. → All LnIrAsO and LnRhAsO compositions are metallic while CeIrAsO and CeRhAsO show a sudden drop in resistivity at 10 and 7 K, respectively.

  6. Facile solid-state synthesis of oxidation-resistant metal nanoparticles at ambient conditions

    Science.gov (United States)

    Lee, Kyu Hyung; Jung, Hyuk Joon; Lee, Ju Hee; Kim, Kyungtae; Lee, Byeongno; Nam, Dohyun; Kim, Chung Man; Jung, Myung-Hwa; Hur, Nam Hwi

    2018-05-01

    A simple and scalable method for the synthesis of metal nanoparticles in the solid-state was developed, which can produce nanoparticles in the absence of solvents. Nanoparticles of coinage metals were synthesized by grinding solid hydrazine and the metal precursors in their acetates and oxides at 25 °C. The silver and gold acetates converted completely within 6 min into Ag and Au nanoparticles, respectively, while complete conversion of the copper acetate to the Cu sub-micrometer particles took about 2 h. Metal oxide precursors were also converted into metal nanoparticles by grinding alone. The resulting particles exhibit distinctive crystalline lattice fringes, indicating the formation of highly crystalline phases. The Cu sub-micrometer particles are better resistant to oxidation and exhibit higher conductivity compared to conventional Cu nanoparticles. This solid-state method was also applied for the synthesis of platinum group metals and intermetallic Cu3Au, which can be further extended to synthesize other metal nanoparticles.

  7. Mechanistic Investigation of the Reduction of NOx over Pt- and Rh-Based LNT Catalysts

    Directory of Open Access Journals (Sweden)

    Lukasz Kubiak

    2016-03-01

    Full Text Available The influence of the noble metals (Pt vs. Rh on the NOx storage reduction performances of lean NOx trap catalysts is here investigated by transient micro-reactor flow experiments. The study indicates a different behavior during the storage in that the Rh-based catalyst showed higher storage capacity at high temperature as compared to the Pt-containing sample, while the opposite is seen at low temperatures. It is suggested that the higher storage capacity of the Rh-containing sample at high temperature is related to the higher dispersion of Rh as compared to Pt, while the lower storage capacity of Rh-Ba/Al2O3 at low temperature is related to its poor oxidizing properties. The noble metals also affect the catalyst behavior upon reduction of the stored NOx, by decreasing the threshold temperature for the reduction of the stored NOx. The Pt-based catalyst promotes the reduction of the adsorbed NOx at lower temperatures if compared to the Rh-containing sample, due to its superior reducibility. However, Rh-based material shows higher reactivity in the NH3 decomposition significantly enhancing N2 selectivity. Moreover, formation of small amounts of N2O is observed on both Pt- and Rh-based catalyst samples only during the reduction of highly reactive NOx stored at 150 °C, where NOx is likely in the form of nitrites.

  8. A Reactive Oxide Overlayer on Rh Nanoparticles during CO Oxidation and Its Size Dependence Studied by in Situ Ambient Pressure XPS

    International Nuclear Information System (INIS)

    Grass, Michael E.; Zhang, Yawen; Butcher, Derek R.; Park, Jeong Y.; Li, Yimin; Bluhm, Hendrik; Bratlie, Kaitlin M.; Zhang, Tianfu; Somorjai, Gabor A.

    2008-01-01

    CO oxidation is one of the most studied heterogeneous reactions, being scientifically and industrially important, particularly for removal of CO from exhaust streams and preferential oxidation for hydrogen purification in fuel cell applications. The precious metals Ru, Rh, Pd, Pt, and Au are most commonly used for this reaction because of their high activity and stability. Despite the wealth of experimental and theoretical data, it remains unclear what is the active surface for CO oxidation under catalytic conditions for these metals. In this communication, we utilize in situ synchrotron ambient pressure X-ray photoelectron spectroscopy (APXPS) to monitor the oxidation state at the surface of Rh nanoparticles during CO oxidation and demonstrate that the active catalyst is a surface oxide, the formation of which is dependent on particle size. The amount of oxide formed and the reaction rate both increase with decreasing particle size.

  9. Limit State of Trapezoidal Metal Sheets Exposed to Concentrated Load

    OpenAIRE

    Kateřina Jurdová

    2013-01-01

    In most industrial compounds are used trapezoidal metal sheets like a roof decks. These trapezoidal metal sheets are exposed by concentrated loads, usually by service loads arise from installation of air distribution, sanitary distribution, sprinkler system or wiring installation. In objects of public facilities (like shopping centre, tennis hall, etc.) they can be used for hanging advertising posters etc, too. These systems work as “building kit”. These anchoring systems are represented by c...

  10. Collapsed tetragonal phase as a strongly covalent and fully nonmagnetic state: Persistent magnetism with interlayer As-As bond formation in Rh-doped Ca0 .8Sr0 .2Fe2As2

    Science.gov (United States)

    Zhao, K.; Glasbrenner, J. K.; Gretarsson, H.; Schmitz, D.; Bednarcik, J.; Etter, M.; Sun, J. P.; Manna, R. S.; Al-Zein, A.; Lafuerza, S.; Scherer, W.; Cheng, J. G.; Gegenwart, P.

    2018-02-01

    A well-known feature of the CaFe2As2 -based superconductors is the pressure-induced collapsed tetragonal phase that is commonly ascribed to the formation of an interlayer As-As bond. Using detailed x-ray scattering and spectroscopy, we find that Rh-doped Ca0.8Sr0.2Fe2As2 does not undergo a first-order phase transition and that local Fe moments persist despite the formation of interlayer As-As bonds. Our density functional theory calculations reveal that the Fe-As bond geometry is critical for stabilizing magnetism and the pressure-induced drop in the c lattice parameter observed in pure CaFe2As2 is mostly due to a constriction within the FeAs planes. The collapsed tetragonal phase emerges when covalent bonding of strongly hybridized Fe 3 d and As 4 p states completely wins out over their exchange splitting. Thus the collapsed tetragonal phase is properly understood as a strong covalent phase that is fully nonmagnetic with the As-As bond forming as a by-product.

  11. Surface energies of metals in both liquid and solid states

    International Nuclear Information System (INIS)

    Aqra, Fathi; Ayyad, Ahmed

    2011-01-01

    Although during the last years one has seen a number of systematic studies of the surface energies of metals, the aim and the scientific meaning of this research is to establish a simple and a straightforward theoretical model to calculate accurately the mechanical and the thermodynamic properties of metal surfaces due to their important application in materials processes and in the understanding of a wide range of surface phenomena. Through extensive theoretical calculations of the surface tension of most of the liquid metals, we found that the fraction of broken bonds in liquid metals (f) is constant which is equal to 0.287. Using our estimated f value, the surface tension (γ m ), surface energy (γ SV ), surface excess entropy (-dγ/dT), surface excess enthalpy (H s ), coefficient of thermal expansion (α m and α b ), sound velocity (c m ) and its temperature coefficient (-dc/dT) have been calculated for more than sixty metals. The results of the calculated quantities agree well with available experimental data.

  12. State-of-art of modern technologies for metals production

    Energy Technology Data Exchange (ETDEWEB)

    Holappa, L [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Metallurgy

    1996-12-31

    The future raw materials are becoming lower in metal content and more complex, multimetal concentrates will be utilized. This will give challenges for metallurgists to develop new, efficient and energy saving processes. The main impacts for current and future production technologies come from energy need and environmental issues of the production processes themselves as well as the inevitable energy production for the metal making. Metals production consumes huge amount of energy, roughly 10 pct of the global energy consumption is caused by metallurgists. That is the necessity but it also means energy saving is one of the metallurgical industry have been enormous when looking back to the history. Since the 1960`s the efforts of the industry together with the strict legislation in the industrialized countries have conducted to greatly decreased emissions and improved pollution control. Breakthrough of new processes like copper flash smelting has aided this positive progress

  13. State-of-art of modern technologies for metals production

    Energy Technology Data Exchange (ETDEWEB)

    Holappa, L. [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Metallurgy

    1995-12-31

    The future raw materials are becoming lower in metal content and more complex, multimetal concentrates will be utilized. This will give challenges for metallurgists to develop new, efficient and energy saving processes. The main impacts for current and future production technologies come from energy need and environmental issues of the production processes themselves as well as the inevitable energy production for the metal making. Metals production consumes huge amount of energy, roughly 10 pct of the global energy consumption is caused by metallurgists. That is the necessity but it also means energy saving is one of the metallurgical industry have been enormous when looking back to the history. Since the 1960`s the efforts of the industry together with the strict legislation in the industrialized countries have conducted to greatly decreased emissions and improved pollution control. Breakthrough of new processes like copper flash smelting has aided this positive progress

  14. Thermodynamic assessment of the rhodium-ruthenium-oxygen (Rh-Ru-O) system

    Science.gov (United States)

    Gossé, S.; Bordier, S.; Guéneau, C.; Brackx, E.; Domenger, R.; Rogez, J.

    2018-03-01

    Ruthenium (Ru) and rhodium (Rh) are abundant platinum-group metals formed during burn-up of nuclear fuels. Under normal operating conditions, Rh and Ru accumulate and predominantly form metallic precipitates with other fission products like Mo, Pd and Tc. In the framework of vitrification of high-level nuclear waste, these fission products are poorly soluble in molten glasses. They precipitate as metallic particles and oxide phases. Moreover, these Ru and Rh rich phases strongly depend on temperature and the oxygen fugacity of the glass melt. In case of severe accidental conditions with air ingress, oxidation of the Ru and Rh is possible. At low temperatures (T 1422 K for rhodium sesquioxide and T > 1815 K for ruthenium dioxide), they may decompose into (Rh)-FCC or (Ru)-HCP metallic phases and radiotoxic volatile gaseous species. A thermodynamic assessment of the Rh-Ru-O system will enable the prediction of: (1) the metallic and oxide phases that form during the vitrification of high-level nuclear wastes and (2) the release of volatile gaseous species during a severe accident. The Calphad method developed herein employs a thermodynamic approach in the investigation of the thermochemistry of rhodium and ruthenium at high temperatures. Current literature on the thermodynamic properties and phase diagram data enables preliminary thermodynamic assessments of the Rh-O and Ru-O systems. Additionally, select compositions in the ternary Rh-Ru-O system underwent experimental tests to complement data found in literature and to establish the phase equilibria in the ternary system.

  15. Broadly tunable metal halide perovskites for solid-state light-emission applications

    NARCIS (Netherlands)

    Adjokatse, Sampson; Fang, Hong-Hua; Loi, Maria Antonietta

    2017-01-01

    The past two years have witnessed heightened interest in metal-halide perovskites as promising optoelectronic materials for solid-state light emitting applications beyond photovoltaics. Metal-halide perovskites are low-cost solution-processable materials with excellent intrinsic properties such as

  16. Metal Induced Gap States on Pt/Ge(001)

    NARCIS (Netherlands)

    Oncel, N.; van Beek, W.J.; Poelsema, Bene; Zandvliet, Henricus J.W.

    2007-01-01

    Using scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) we have studied the electronic properties of a novel, planar, metal semiconductor contact. For this purpose we take advantage of the unique properties of the Pt-modified Ge(001) surface, which consist of coexisting

  17. Influence of metallic surface states on electron affinity of epitaxial AlN films

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Monu; Krishna, Shibin; Aggarwal, Neha [Advanced Materials and Devices Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-NPL Campus, Dr. K.S. Krishnan Marg, New Delhi 110012 (India); Gupta, Govind, E-mail: govind@nplindia.org [Advanced Materials and Devices Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-NPL Campus, Dr. K.S. Krishnan Marg, New Delhi 110012 (India)

    2017-06-15

    The present article investigates surface metallic states induced alteration in the electron affinity of epitaxial AlN films. AlN films grown by plasma-assisted molecular beam epitaxy system with (30% and 16%) and without metallic aluminium on the surface were probed via photoemission spectroscopic measurements. An in-depth analysis exploring the influence of metallic aluminium and native oxide on the electronic structure of the films is performed. It was observed that the metallic states pinned the Fermi Level (FL) near valence band edge and lead to the reduction of electron affinity (EA). These metallic states initiated charge transfer and induced changes in surface and interface dipoles strength. Therefore, the EA of the films varied between 0.6–1.0 eV due to the variation in contribution of metallic states and native oxide. However, the surface barrier height (SBH) increased (4.2–3.5 eV) adversely due to the availability of donor-like surface states in metallic aluminium rich films.

  18. Isomer 103Rh excitation in the electron beam

    International Nuclear Information System (INIS)

    Alpatov, V.G.; Berezkin, V.V.; Vysotskij, S.A.

    1993-01-01

    Rhodium foil targets were irradiated by a beam of electrons from a linear accelerator containing a minor impurity of bremsstrahlung. X-ray and γ-quanta from decay of 103m Rh isomer states were detected. The ratio of isomer cross section activation by bremsstrahlung, formed in the target, and electrons, equals 89. 7 refs.; 3 figs.; 2 tabs

  19. Electron states in thulium and other rare-earth metals

    International Nuclear Information System (INIS)

    Strange, P.; Fairbairn, W.M.; Lee, P.M.

    1983-01-01

    The LMTO method has been applied to calculate band structures for the heavier rare-earth metals. The calculations are relativistic. Thulium in particular has been considered, where a frozen core approximation is used, and the outer electrons are treated selfconsistently. Problems associated with the localisation and interactions of the 4f electrons are discussed. Teh comparisons between experimental data and calculated quantities are encouraging, but more data on high-purity single crystals would be helpful. (author)

  20. Liquid state properties of certain noble and transition metals

    International Nuclear Information System (INIS)

    Bhuiyan, G.M.; Rahman, A.; Khaleque, M.A.; Rashid, R.I.M.A.; Mujibur Rahman, S.M.

    1998-07-01

    Certain structural, thermodynamic and atomic transport properties of a number of liquid noble and transition metals are reported. The underlying theory combines together a simple form of the N-body potential and the thermodynamically self-consistent variational modified hypernetted chain (VMHNC) theory of liquid. The static structure factors calculated by using the VMHNC resemble the hard sphere (HS) values. Consequently the HS model is used to calculate the thermodynamic properties viz. specific heat, entropy, isothermal compressibility and atomic transport properties. (author)

  1. CO and ethanol electro-oxidation on Pt-Rh/C

    OpenAIRE

    Calderón-Cárdenas, Alfredo; Ortiz-Restrepo, John E.; Mancilla-Valencia, Nelson D.; Torres-Rodriguez, Gerardo A.; Lima, Fabio H. B.; Bolaños-Rivera, Alberto; Gonzalez, Ernesto R.; Lizcano-Valbuena, William H.

    2014-01-01

    In this work we studied the effect of the composition and thermal treatment in H2 of Pt-Rh/C materials with atomic ratios close to Pt:Rh 3:1, 1:1 and 1:3 and metal loading of 40 wt. %, for the COads and ethanol oxidation. Catalysts were prepared by chemical reduction with formic acid and physically characterized by energy dispersive X-rays spectroscopy (EDX), electron backscattering (EBS) and transmission electron microscopy (TEM), showing Pt:Rh ratios close to the nominals values, similar av...

  2. Systematic study of hyperfine fields in Rh2 Y Z type Heusler alloys with 119 Sn impurity using Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Ramos, S.M.M.

    1985-01-01

    The magnetic hyperfine fields in the Heusler alloys Rh 2 Mn .98 Ge Sn 02 , Rh 2 Mn Ge .98 Sn .02 , Rh 2 Mn Pb .98 Sn .02 and Rh 2 Mn Sn has been studied by 119 Sn Moessbauer spectroscopy at 293 K, 77 K, 4.2 K and 293 K with applied external magnetic field. The results show that when one compare the magnetic hyperfine fields systematic with the Heusler alloys X 2 Mn Z (X = Co, Ni, Cu, Pd, and Z = s p metal), this systematic is similar to the Co alloys, although can not explained by the currents models for the Heusler alloys. (author)

  3. On the valence state of Yb and Ce in transition metal intermetallic compounds

    International Nuclear Information System (INIS)

    Boer, F.R. de; Dijkman, W.H.; Mattens, W.C.M.

    1979-01-01

    In the pure state Yb is a divalent metal, similar to Ca; in alloys it can become trivalent like the majority of the rare earth metals. Using a value of 38 kJ (mol Yb) -1 for the energy difference between divalent and trivalent Yb metal and using model calculations for the heat of formation of intermetallic compounds, the authors are able to account for the existing information on the valence state of Yb in transition metal compounds. A similar analysis of compounds of Ce with transition metals shows that a model in which the 4f electron is treated as a core electron, i.e. being absent in the tetravalent modification of Ce and present as a fully localized electron in trivalent Ce, does not apply. (Auth.)

  4. Transport and NMR characteristics of the skutterudite-related compound Ca3Rh4Sn13

    Science.gov (United States)

    Tseng, C. W.; Kuo, C. N.; Li, B. S.; Wang, L. M.; Gippius, A. A.; Kuo, Y. K.; Lue, C. S.

    2018-02-01

    We report the electronic properties of the Yb3Rh4Sn13-type single crystalline Ca3Rh4Sn13 by means of the electrical resistivity, Hall coefficient, Seebeck coefficient, thermal conductivity, as well as 119Sn nuclear magnetic resonance (NMR) measurements. The negative sign of the Hall coefficient and Seebeck coefficient at low temperatures suggests that the n-type carriers dominate the electrical transport in Ca3Rh4Sn13, in contrast to the observations in Sr3Rh4Sn13 which has a p-type conduction. Such a finding indicates a significant difference in the electronic features between these two stannides. Furthermore, we analyzed the temperature-dependent 119Sn NMR spin-lattice relaxation rate for Ca3Rh4Sn13, (Sr0.7Ca0.3)3Rh4Sn13, and Sr3Rh4Sn13 to examine the change of the electronic Fermi-level density of states (DOS) in (Sr1-xCax)3Rh4Sn13. It indicates that the Sn 5s partial Fermi-level DOS enhances with increasing the Ca content, being consistent with the trend of the superconducting temperature. Since the total Fermi-level DOS usually obeys the same trend of the partial Fermi-level DOS, the NMR analysis provides microscopic evidence for the correlation between the electronic DOS and superconductivity of the (Sr1-xCax)3Rh4Sn13 system.

  5. Symmetrical metallic and magnetic edge states of nanoribbon from semiconductive monolayer PtS2

    Science.gov (United States)

    Liu, Shan; Zhu, Heyu; Liu, Ziran; Zhou, Guanghui

    2018-03-01

    Transition metal dichalcogenides (TMD) MoS2 or graphene could be designed to metallic nanoribbons, which always have only one edge show metallic properties due to symmetric protection. In present work, a nanoribbon with two parallel metallic and magnetic edges was designed from a noble TMD PtS2 by employing first-principles calculations based on density functional theory (DFT). Edge energy, bonding charge density, band structure, density of states (DOS) and simulated scanning tunneling microscopy (STM) of four possible edge states of monolayer semiconductive PtS2 were systematically studied. Detailed calculations show that only Pt-terminated edge state among four edge states was relatively stable, metallic and magnetic. Those metallic and magnetic properties mainly contributed from 5d orbits of Pt atoms located at edges. What's more, two of those central symmetric edges coexist in one zigzag nanoribbon, which providing two atomic metallic wires thus may have promising application for the realization of quantum effects, such as Aharanov-Bohm effect and atomic power transmission lines in single nanoribbon.

  6. The N2O activation by Rh5 clusters. A quantum chemistry study.

    Science.gov (United States)

    Olvera-Neria, Oscar; Avilés, Roberto; Francisco-Rodríguez, Héctor; Bertin, Virineya; García-Cruz, Raúl; González-Torres, Julio César; Poulain, Enrique

    2015-04-01

    Nitrous oxide (N2O) is a by-product of exhaust pipe gases treatment produced by motor vehicles. Therefore, the N2O reduction to N2 is necessary to meet the actual environmental legislation. The N2O adsorption and dissociation assisted by the square-based pyramidal Rh5 cluster was investigated using the density functional theory and the zero-order regular approximation (ZORA). The Rh5 sextet ground state is the most active in N2O dissociation, though the quartet and octet states are also active because they are degenerate. The Rh5 cluster spontaneously activates the N2─O cleavage, and the reaction is highly exothermic ca. -75 kcal mol(-1). The N2─O breaking is obtained for the geometrical arrangement that maximizes the overlap and electron transfers between the N2O and Rh5 frontier orbitals. The Rh5 high activity is due to the Rh 3d orbitals are located between the N2O HOMO and LUMO orbitals, which makes possible the interactions between them. In particular, the O 2p states strongly interact with Rh 3d orbitals, which finally weaken the N2─O bond. The electron transfer is from the Rh5 HOMO orbital to the N2O antibonding orbital.

  7. Environmental application of millimetre-scale sponge iron (s-Fe{sup 0}) particles (IV): New insights into visible light photo-Fenton-like process with optimum dosage of H{sub 2}O{sub 2} and RhB photosensitizers

    Energy Technology Data Exchange (ETDEWEB)

    Ju, Yongming, E-mail: juyongming@scies.org [South China Institute of Environmental Sciences, Ministry of Environmental Protection (MEP), Guangzhou 510655 (China); Innovative Laboratory for Environmental Functional Materials and Environmental Applications of Microwave Irradiation, South China Subcenter of State Environmental Dioxin Monitoring Center, Guangzhou 510655 (China); Guangdong Key Laboratory of Agro-Environment Integrated Control, South China Institute of Environmental Sciences, Guangzhou 510655 (China); Yu, Yunjiang, E-mail: yuyunjiang@scies.org [South China Institute of Environmental Sciences, Ministry of Environmental Protection (MEP), Guangzhou 510655 (China); Wang, Xiaoyan; Xiang, Mingdeng; Li, Liangzhong [South China Institute of Environmental Sciences, Ministry of Environmental Protection (MEP), Guangzhou 510655 (China); Deng, Dongyang [South China Institute of Environmental Sciences, Ministry of Environmental Protection (MEP), Guangzhou 510655 (China); Innovative Laboratory for Environmental Functional Materials and Environmental Applications of Microwave Irradiation, South China Subcenter of State Environmental Dioxin Monitoring Center, Guangzhou 510655 (China); Guangdong Key Laboratory of Agro-Environment Integrated Control, South China Institute of Environmental Sciences, Guangzhou 510655 (China); Dionysiou, Dionysios D., E-mail: dionysios.d.dionysiou@uc.edu [Environmental Engineering and Science Program, Department of Biomedical, Chemical and Environmental Engineering (DBCEE), University of Cincinnati, Cincinnati, Ohio, 45221-0012 (United States)

    2017-02-05

    Highlights: • Synergistic action of Rhodamine B (RhB), visible light, H{sub 2}O{sub 2} and s-Fe{sup 0} is essential. • The complexes of RhB and Fe{sup 3+} eject one electron via ligand-to-metal charge-transfer. • RhB assists the photo-Fenton-like removal of tetrabromobisphenol A (TBBPA). - Abstract: In this study, we firstly develop the photo-Fenton-like system with millimetric sponge iron (s-Fe{sup 0}), H{sub 2}O{sub 2}, visible light (vis, λ ≥ 420 nm) and rhodamine B (RhB), and present a comprehensive study concerning the mechanism. Thus, we investigate (1) the adsorption of RhB onto s-Fe{sup 0}, (2) the photo-Fenton-like removal of RhB over iron oxides generated from the corrosion of s-Fe{sup 0}, (3) the homogeneous photo-Fenton removal of RhB over Fe{sup 2+} or Fe{sup 3+}, (4) the Fe{sup 3+}-RhB complexes, and (5) the photo-Fenton-like removal of tetrabromobisphenol A (TBBPA). The results show that neither the adsorption process over s-Fe{sup 0} nor the photo-Fenton-like process over FeOOH, Fe{sub 3}O{sub 4} and Fe{sub 2}O{sub 3}, achieved efficient removal of RhB. For comparison, in homogeneous photo-Fenton process, the presence of Fe{sup 3+} ions, rather than Fe{sup 2+} ions, effectively eliminated RhB. Furthermore, the UV–vis spectra showing new absorbance at ∼ 285 nm indicate the complexes of RhB and Fe{sup 3+} ions, adopting vis photons to form excited state and further eject one electron via ligand-to-metal charge-transfer to activate H{sub 2}O{sub 2}. Additionally, efficient TBBPA removal was obtained only in the presence of RhB. Accordingly, the s-Fe{sup 0}– based photo-Fenton-like process assisted with dyestuff wastewater is promising for removing a series of persistent organic pollutants.

  8. Magnetic properties of Co-Rh and Ni-Rh nanowires

    International Nuclear Information System (INIS)

    Sondon, Tristana; Saul, Andres; Guevara, Javier

    2007-01-01

    We have calculated the magnetic properties of pure Ni, Co and Rh, and alloyed Co-Rh and Ni-Rh free-standing nanowires by an ab initio method. We have found that the pure Co and Ni wires present an enhanced magnetic moment with respect to their bulk values, and we have obtained that a magnetic order appears for pure Rh wires. For concentrations up to 50% Rh, in the alloyed Ni-Rh linear chains there is an enhancement of the total magnetic moment with respect to the pure nanowires, and in the case of Co-Rh the alloying with Rh enhances the Co magnetic moment. In both systems we obtain very high Rh magnetic moments

  9. Model potential for the description of metal/organic interface states

    Science.gov (United States)

    Armbrust, Nico; Schiller, Frederik; Güdde, Jens; Höfer, Ulrich

    2017-01-01

    We present an analytical one-dimensional model potential for the description of electronic interface states that form at the interface between a metal surface and flat-lying adlayers of π-conjugated organic molecules. The model utilizes graphene as a universal representation of these organic adlayers. It predicts the energy position of the interface state as well as the overlap of its wave function with the bulk metal without free fitting parameters. We show that the energy of the interface state depends systematically on the bond distance between the carbon backbone of the adayers and the metal. The general applicability and robustness of the model is demonstrated by a comparison of the calculated energies with numerous experimental results for a number of flat-lying organic molecules on different closed-packed metal surfaces that cover a large range of bond distances. PMID:28425444

  10. Semiconducting states and transport in metallic armchair-edged graphene nanoribbons

    International Nuclear Information System (INIS)

    Chen Xiongwen; Wang Haiyan; Wan Haiqing; Zhou Guanghui; Song Kehui

    2011-01-01

    Based on the nonequilibrium Green's function method within the tight-binding approximation scheme, through a scanning tunneling microscopy (STM) model, we study the low-energy electronic states and transport properties of carbon chains in armchair-edged graphene nanoribbons (AGNRs). We show that semiconducting AGNRs possess only semiconducting chains, while metallic ones possess not only metallic chains but also unconventional semiconducting chains located at the 3jth (j≠0) column from the edge (the first chain) due to the vanishing of the metallic component in the electron wavefunction. The two types of states for carbon chains in a metallic AGNR system are demonstrated by different density of states and STM tunneling currents. Moreover, a similar phenomenon is predicted in the edge region of very wide AGNRs. However, there is remarkable difference in the tunneling current between narrow and wide ribbons.

  11. Characterization of Rh films on Ta(110)

    International Nuclear Information System (INIS)

    Jiang, L.Q.; Ruckman, M.W.; Strongin, M.

    1989-01-01

    The surface and electronic structure of Rh films on Ta(110) up to several monolayers thick on Ta(110) are characterized by photoemission, Auger emission, low energy electron diffraction and low energy ion scattering. From the variation of the Rh Auger peak-to-peak intensity as a function of evaporation time, Rh/Ta(110) appears to grow in the Stranski-Krastanov mode at room temperature. However, the LEIS data show that the Rh adatoms begin to cluster on Ta(110) before growth of the monolayer is completed. Diffuse LEED scattering suggests that the Rh films are disordered. Photoemission shows that Rh chemisorption on Ta(110) generates two peaks located at 1.2 and 2. 5 eV binding energy during the initial phase of thin film growth (0 3.7 ML). Photoemission data for CO covered surfaces show that CO dissociates on the Rh/Ta(110) surface for Rh coverages less than 2.5 ML and also show that the Rh clusters develop at least one site capable of molecular CO adsorption above 0.3 ML Rh coverage. 38 refs., 5 figs

  12. Preparation of PtSn/C, PtRu/C, PtRh/C, PtRuRh/C and PtSnRh/C electrocatalysts using an alcohol-reduction process for methanol and ethanol oxidation

    International Nuclear Information System (INIS)

    Dias, Ricardo Rodrigues

    2009-01-01

    In this work, Pt/C, PtRh (90:10), PtRh/C (50:50), PtSn/C (50:50), PtRu (50:50)/C, PtRuRh/C (50:40:10) and PtSnRh/C (50:40:10) were prepared by an alcohol-reduction process with metal loading of 20 wt.% using H 2 PtCl 6 .6H 2 O (Aldrich), SnCl 2 .2H 2 O (Aldrich),and RhCl 2 .XH 2 O (Aldrich) as metals sources and Vulcan XC72 as support. The electrocatalysts were characterized by EDX, XRD and cyclic voltammetry (CV). The electro-oxidation of ethanol was studied by CV, chronoamperomety at room temperature in acid medium and tests at 100 deg C on a single cell of a direct methanol or ethanol fuel cell. The EDX analysis showed that the metal atomic ratios of the obtained electrocatalysts were similar to the nominal atomic ratios used in the preparation. The diffractograms of electrocatalysts prepared showed four peaks at approximately 2θ = 40 0 , 47 0 , 67 0 and 82 0 , which are associated with the (111), (200), (220) and (311) planes, respectively, of a face cubic-centered (fcc) structure characteristic of platinum and platinum alloys. The average crystallite sizes using the Scherrer equation and the calculated values were in the range of 2–3 nm. For PtSn/C and PtSnRh/C two additional peaks were observed at 2θ = 34 0 and 52 0 that were identified as a SnO 2 phase. PtSn/C (50:50) and PtSnRh/C (50:40:10) electrocatalyst showed the best performance for ethanol oxidation at room temperature. For methanol oxidation at room temperature PtRu/C, PtSn/C and PtRuRh/C electrocatalysts showed the best performance. Tests at 100 deg C on a single cell of a direct ethanol fuel cell PtSnRh/C showed the best performance, for methanol oxidation PtRuRh/C showed the best performance. (author)

  13. Current state of the absorbable metallic (magnesium) stent.

    Science.gov (United States)

    Waksman, Ron

    2009-12-15

    BIOTRONIK's absorbable metal stent technology is based ona magnesium alloy that offers superior stent mechanics and biocompatibility. The first generation (AMS-1) showed promising results regarding mechanical properties as well as feasibility and safety in several human applications (150 cases). The second generation (AMS-2.1) shows improved scaffolding and efficacy in animals due to a more slowly degrading magnesium alloy and an optimised stent design. The preclinical results of the drug-eluting AMS-3 are encouraging and the clinical investigational program will resume in 2010.

  14. Ion bombardment effect on surface state of metal

    International Nuclear Information System (INIS)

    Vaulin, E.P.; Georgieva, N.E.; Martynenko, T.P.

    1990-01-01

    The effect of slow argon ion bombardment on the surface microstructure of polycrystalline copper as well as the effect of surface state on sputtering of D-16 polycrystalline alloy are experimentally studied. Reduction of copper surface roughness is observed. It is shown that the D-16 alloy sputtering coefficient is sensitive to the surface state within the limits of the destructed surface layer

  15. Influence of some metal substitutions on the superconducting behaviour of molybdenum borocarbide. [Mo/sub 2-x/M/sub x/BC; M = Zr, Nb, Rh, Hf, Ta, or W

    Energy Technology Data Exchange (ETDEWEB)

    Lejay, P.; Chevalier, B.; Etourneau, J.; Hagenmuller, P. [Bordeaux-1 Univ., 33 - Talence (France)

    1981-11-15

    The superconducting properties of the Mosub(2-x)Msub(x)BC borocarbides (M equivalent to Zr, Nb, Rh, Hf, Ta, W) are reported. They have an Mo/sub 2/BC-type structure with orthorhombic symmetry and the space group Cmcm. Stoichiometric powder samples were prepared by arc melting. A large single crystal of Mo/sub 2/BC was obtained by a Czochralski-type method. The upper limit of x depends mainly on the size of the M atoms. A study of the magnetization as a function of field at different temperatures shows that all borocarbides are type II superconductors. Resistivity measurements give generally a critical temperature Tsub(cr) above 4.2 K. Tsub(cr) and the critical fields Hsub(c2) increase for rhodium substitution but decrease in other cases. For comparison the superconducting properties are discussed in terms of the valence electron concentration and the molar volume.

  16. Preparation of PtSn/C, PtRu/C, PtRh/C, PtRuRh/C and PtSnRh/C electrocatalysts using an alcohol-reduction process for methanol and ethanol oxidation; Preparacao e caracterizacao de eletrocatalisadores PtRu, PtSn, PtRh, PtRuRh e PtSnRh para oxidacao direta de alcoois em celulas a combustivel tipo PEM utilizando a metodologia da reducao por alcool

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Ricardo Rodrigues

    2009-07-01

    In this work, Pt/C, PtRh (90:10), PtRh/C (50:50), PtSn/C (50:50), PtRu (50:50)/C, PtRuRh/C (50:40:10) and PtSnRh/C (50:40:10) were prepared by an alcohol-reduction process with metal loading of 20 wt.% using H{sub 2}PtCl{sub 6}.6H{sub 2}O (Aldrich), SnCl{sub 2}.2H{sub 2}O (Aldrich),and RhCl{sub 2}.XH{sub 2}O (Aldrich) as metals sources and Vulcan XC72 as support. The electrocatalysts were characterized by EDX, XRD and cyclic voltammetry (CV). The electro-oxidation of ethanol was studied by CV, chronoamperomety at room temperature in acid medium and tests at 100 deg C on a single cell of a direct methanol or ethanol fuel cell. The EDX analysis showed that the metal atomic ratios of the obtained electrocatalysts were similar to the nominal atomic ratios used in the preparation. The diffractograms of electrocatalysts prepared showed four peaks at approximately 2{theta} =40 deg, 47 deg, 67 deg and 82 deg, which are associated with the (111), (200), (220) and (311) planes, respectively, of a face cubic-centered (fcc) structure characteristic of platinum and platinum alloys. The average crystallite sizes using the Scherrer equation and the calculated values were in the range of 2-3 nm. For Pt Sn/C and PtSnRh/C two additional peaks were observed at 2 = 34 deg and 52 deg that were identified as a SnO{sub 2} phase. Pt Sn/C (50:50) and PtSnRh/C (50:40:10) electro catalyst showed the best performance for ethanol oxidation at room temperature. For methanol oxidation at room temperature Pt Ru/C, Pt Sn/C and PtRuRh/C electrocatalysts showed the best performance. Tests at 100 deg C on a single cell of a direct ethanol fuel cell PtSnRh/C showed the best performance, for methanol oxidation PtRuRh/C showed the best performance. (author)

  17. Preparation of PtSn/C, PtRu/C, PtRh/C, PtRuRh/C and PtSnRh/C electrocatalysts using an alcohol-reduction process for methanol and ethanol oxidation; Preparacao e caracterizacao de eletrocatalisadores PtRu, PtSn, PtRh, PtRuRh e PtSnRh para oxidacao direta de alcoois em celulas a combustivel tipo PEM utilizando a metodologia da reducao por alcool

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Ricardo Rodrigues

    2009-07-01

    In this work, Pt/C, PtRh (90:10), PtRh/C (50:50), PtSn/C (50:50), PtRu (50:50)/C, PtRuRh/C (50:40:10) and PtSnRh/C (50:40:10) were prepared by an alcohol-reduction process with metal loading of 20 wt.% using H{sub 2}PtCl{sub 6}.6H{sub 2}O (Aldrich), SnCl{sub 2}.2H{sub 2}O (Aldrich),and RhCl{sub 2}.XH{sub 2}O (Aldrich) as metals sources and Vulcan XC72 as support. The electrocatalysts were characterized by EDX, XRD and cyclic voltammetry (CV). The electro-oxidation of ethanol was studied by CV, chronoamperomety at room temperature in acid medium and tests at 100 deg C on a single cell of a direct methanol or ethanol fuel cell. The EDX analysis showed that the metal atomic ratios of the obtained electrocatalysts were similar to the nominal atomic ratios used in the preparation. The diffractograms of electrocatalysts prepared showed four peaks at approximately 2θ = 40{sup 0}, 47{sup 0}, 67{sup 0} and 82{sup 0}, which are associated with the (111), (200), (220) and (311) planes, respectively, of a face cubic-centered (fcc) structure characteristic of platinum and platinum alloys. The average crystallite sizes using the Scherrer equation and the calculated values were in the range of 2–3 nm. For PtSn/C and PtSnRh/C two additional peaks were observed at 2θ = 34{sup 0} and 52{sup 0} that were identified as a SnO{sub 2} phase. PtSn/C (50:50) and PtSnRh/C (50:40:10) electrocatalyst showed the best performance for ethanol oxidation at room temperature. For methanol oxidation at room temperature PtRu/C, PtSn/C and PtRuRh/C electrocatalysts showed the best performance. Tests at 100 deg C on a single cell of a direct ethanol fuel cell PtSnRh/C showed the best performance, for methanol oxidation PtRuRh/C showed the best performance. (author)

  18. One-dimensional metallic edge states in MoS2

    DEFF Research Database (Denmark)

    Bollinger, Mikkel; Lauritsen, J.V.; Jacobsen, Karsten Wedel

    2001-01-01

    By the use of density functional calculations it is shown that the edges of a two-dimensional slab of insulating MoS2 exhibit several metallic states. These edge states can be viewed as one-dimensional conducting wires, and we show that they can be observed directly using scanning tunneling...

  19. Solid State NMR Characterization of Complex Metal Hydrides systems for Hydrogen Storage Applications

    Directory of Open Access Journals (Sweden)

    Son-Jong Hwang

    2011-12-01

    Full Text Available Solid state NMR is widely applied in studies of solid state chemistries for hydrogen storage reactions. Use of 11B MAS NMR in studies of metal borohydrides (BH4 is mainly focused, revisiting the issue of dodecaborane formation and observation of 11B{1H} Nuclear Overhauser Effect.

  20. Characterization of Rh films on Ta(110)

    International Nuclear Information System (INIS)

    Jiang, L.Q.; Ruckman, M.W.; Strongin, M.

    1990-01-01

    The surface and electronic structure of Rh films on Ta(110) up to several monolayers thick on Ta(110) are characterized by photoemission, Auger emission, low-energy electron diffraction (LEED) and low-energy ion scattering (LEIS). From the variation of the Rh Auger peak-to-peak intensity as a function of evaporation time, Rh appears to grow in the Stranski--Krastanov mode at room temperature. However, the LEIS data show that the Rh adatoms begin to cluster on Ta(110) before growth of the monolayer is completed. Diffuse LEED scattering suggests that the Rh films are disordered. Photoemission shows that Rh chemisorption on Ta(110) generates two peaks located at -1.5 and -2.5 eV binding energy during the initial phase of thin-film growth (0 3.7 ML). CO dissociates on the Rh/Ta(110) surface for Rh coverages<2.5 ML and the surface develops a site capable of molecular CO adsorption above 0.3-ML Rh coverage

  1. Microbial and trace metal content of well water in three rural ...

    African Journals Online (AJOL)

    Microbial and trace metal content of well water in three rural communities in Bauchi State, Nigeria*. E Ikeh, PN Durfee, RH Glew, R Amato, FJ Frost, DJ Vanderjagt. Abstract. No Abstract. Nigerian Journal of Health and Biomedical Sciences Vol. 5 (2) 2006: 66-70. Full Text: EMAIL FULL TEXT EMAIL FULL TEXT

  2. Trends in magnetism of free Rh clusters via relativistic ab-initio calculations.

    Science.gov (United States)

    Šipr, O; Ebert, H; Minár, J

    2015-02-11

    A fully relativistic ab-initio study on free Rh clusters of 13-135 atoms is performed to identify general trends concerning their magnetism and to check whether concepts which proved to be useful in interpreting magnetism of 3d metals are applicable to magnetism of 4d systems. We found that there is no systematic relation between local magnetic moments and coordination numbers. On the other hand, the Stoner model appears well-suited both as a criterion for the onset of magnetism and as a guide for the dependence of local magnetic moments on the site-resolved density of states at the Fermi level. Large orbital magnetic moments antiparallel to spin magnetic moments were found for some sites. The intra-atomic magnetic dipole Tz term can be quite large at certain sites but as a whole it is unlikely to affect the interpretation of x-ray magnetic circular dichroism experiments based on the sum rules.

  3. Broadly tunable metal halide perovskites for solid-state light-emission applications

    OpenAIRE

    Adjokatse, Sampson; Fang, Hong-Hua; Loi, Maria Antonietta

    2017-01-01

    The past two years have witnessed heightened interest in metal-halide perovskites as promising optoelectronic materials for solid-state light emitting applications beyond photovoltaics. Metal-halide perovskites are low-cost solution-processable materials with excellent intrinsic properties such as broad tunability of bandgap, defect tolerance, high photoluminescence quantum efficiency and high emission color purity (narrow full-width at half maximum). In this review, the photophysical propert...

  4. Quantum-mechanical approach to the state of hydrogen in b. c. c. metals

    Energy Technology Data Exchange (ETDEWEB)

    Fukai, Y; Sugimoto, H

    1980-01-01

    A first step towards consistent understanding of various properties of interstitial hydrogen in b.c.c. metals has been made by solving a Schroedinger equation for hydrogen atoms in the field of interaction with surrounding metal atoms. Properties investigated include the nature of self-trapped states, the relative stability of self-trapped configurations, the average stress field (P-tensor), the excitation energy to be determined by neutron spectroscopy, etc. Calculations were performed on hydrogen isotopes (H, D, T) in group-V metals (V, Nb, Ta), and good agreement was obtained with many different kinds of observations. Some predictions and tentative explanations are also presented.

  5. Quantum-mechanical approach to the state of hydrogen in B. C. C. metals

    Energy Technology Data Exchange (ETDEWEB)

    Fukai, Y; Sugimoto, H [Chuo Univ., Tokyo (Japan). Dept. of Physics

    1980-01-01

    A first step towards consistent understanding of various properties of interstitial hydrogen in B.C.C. metals has been made by solving a Schroedinger equation for hydrogen atoms in the field of interaction with surrounding metal atoms. Properties investigated include a nature of self-trapped states, a relative stability of self-trapped configurations, the average stress field (P-tensor), the excitation energy to be determined by neutron spectroscopy, etc. Calculations were performed on hydrogen isotopes (H, D, T) in group-V metals (V, Nb, Ta), and good agreement was obtained with many different kinds of observations. Some predictions and tentative explanations are also presented.

  6. Roadside Accumulation of Pt, Pd, Rh and Other Trace Elements From Automobiles: Catalytic Converter Attrition and Platinum-Group Element Mobility in the Roadside Environment.

    Science.gov (United States)

    Ely, J. C.; Dahlheimer, S. R.; Neal, C. R.

    2003-12-01

    Elemental abundances of Pt, Pd and Rh have been documented across the industrialized world in roadside environments due to attrition of automotive catalytic converters (Zereini and Alt, 2000, Anthropogenic PGE Emissions, Springer, 308pp; Ely et al., 2001, EnvSci&Tech, 35:3816-3822; Whiteley and Murray, 2003, SciTotEnv, in press). In our ongoing study, the highest reported roadside Pt abundance 1.8 ppm has been found immediately adjacent to the road at a field site in South Bend, IN, USA. Furthermore, initial studies show positive correlations of Pt, Pd and Rh with some trace elements (Ni, Cu, Zn and Pb), which has been confirmed by further analysis for these and other elements (Ce, Cr). It has been demonstrated that elements such as Ce are present in catalytic converters at concentrations of 100's ppm to 3-wt.%. These elements are also being attrited with Pt, Pd and Rh and aerially transported and deposited. Our field site was established next to US-933 adjacent to the Notre Dame campus. Areas were cleared of the top 2-4 cm of soil (removing surficial Pt, Pd and Rh) at 1, 5, 10 and 50 meters from the roadside. Within 3 months the 1-meter site contained 67% of the initial Rh and Pt concentrations and 100% of the initial Pd concentration. The sites at 5, 10 and 50 meters showed similar results, in some cases exceeding the initial concentrations. After 6 months the concentrations of Pt, Pd and Rh were all within error of the initial concentrations, indicating steady state abundances had probably been reached. Grass samples from each site showed that washed vs. unwashed samples were within error of each other, and there may be a slight enrichment (approx. 1 ppb) in the grasses of Pd and Pt, but this enrichment was independent of distance from the road. The steady-state situation suggests that the PGEs are being removed from the immediate roadside environment, which requires that the metals are being oxidized and/or complexed in such a way to facilitate transport. The

  7. Rh Variability in Multi-Ethnic Perspective: Consequences for RH Genotyping

    NARCIS (Netherlands)

    G.H.M. Tax

    2006-01-01

    textabstractThe RhD bloodgroup was first described by Levine en Stetson in 1939 after the manifestation of a hemolytic transfusion reaction in a woman who recently gave birth, after transfusion with her husbands red cells. The RhD-negative woman produced antibodies against the RhD present on the

  8. Human vaccination against RH5 induces neutralizing antimalarial antibodies that inhibit RH5 invasion complex interactions

    DEFF Research Database (Denmark)

    Payne, Ruth O; Silk, Sarah E; Elias, Sean C

    2017-01-01

    serum antibodies exhibited cross-strain functional growth inhibition activity (GIA) in vitro, targeted linear and conformational epitopes within RH5, and inhibited key interactions within the RH5 invasion complex. This is the first time to our knowledge that substantial RH5-specific responses have been...

  9. GnRH-agonist versus GnRH-antagonist IVF cycles

    DEFF Research Database (Denmark)

    Papanikolaou, E G; Pados, G; Grimbizis, G

    2012-01-01

    In view of the current debate concerning possible differences in efficacy between the two GnRH analogues used in IVF stimulated cycles, the current study aimed to explore whether progesterone control in the late follicular phase differs when GnRH antagonist is used as compared with GnRH agonist...

  10. Pressure induced magnetic phase transition in RhFe{sub 3}N and IrFe{sub 3}N: An ab-initio study

    Energy Technology Data Exchange (ETDEWEB)

    Puvaneswari, S. [Department of physics, E.M.G.Yadava women’s college, Madurai, Tamilnadu-625014 (India); Manikandan, M. [Department of physics, N.M.S.S.V.N college, Madurai, Tamilnadu-625019 (India); Rajeswarapalanichamy, R., E-mail: rrpalanichamy@gmail.com

    2016-05-06

    The structural, electronic, elastic and magnetic properties of RhFe{sub 3}N and IrFe{sub 3}N are investigated using ab-initio calculations based on density functional theory as implemented in VASP code within the gradient generalized approximation. The non-spin polarized and spin polarized calculations are performed for these nitrides at normal and high pressures. It is found that these ternary nitrides are stable in ferromagnetic state at normal pressure. The lattice constant and bulk modulus values are calculated. The electronic structure reveals that these nitrides are metallic at normal pressure. The calculated elastic constants indicate that they are mechanically stable at ambient pressure. Ferromagnetic to nonmagnetic phase transition is observed in RhFe{sub 3}N and IrFe{sub 3}N at high pressure. Ferromagnetism is quenched in these nitrides at high pressure.

  11. Magnetotransport investigations of the two-dimensional metallic state in silicon metal-oxid-semiconductor structures

    International Nuclear Information System (INIS)

    Prinz, A.

    2002-03-01

    For more than two decades it was the predominant view among the physical community that the every two-dimensional (2D) disordered electron system becomes insulating as the temperature approaches the absolute zero temperature (0 Kelvin or -273.15 o C). Two-dimensional means that the movement of the charge carriers is confined in one direction by a potential so that the carriers can move freely only perpendicular to the confinement. The most famous physical realization of a 2D system is the silicon metal-oxide-semiconductor field effect transistor (Si-MOSFET). It is one of the basic elements of most electronic devices in our daily life. The working principle is very simple. Charges are attracted to the semiconductor-oxide interface by an electric field applied between the metallic gate and the semiconductor, so that a 2D conductive channel is formed. The charge density can be adjusted by the voltage from zero up to 10 13 cm -2 . In 1994 Kravchenko and coworkers made a very important discovery. They studied high mobility Si-MOSFETs and found that for densities below a certain critical value, nc, the resistivity increases as the temperature is decreased below 2 K, whereas for densities above $n c $ the resistivity decreases unexpectedly. The transition from insulating to metallic behavior, known as metal-insulator transition (MIT), was obviously a contradiction to the commonly accepted theories which predict insulating behavior for any density. The insulating behavior is a consequence of the wave properties of electrons which leads to interference in disordered media and thus to enhanced backscattering. In the subsequent years, experimental studies were performed on a variety of 2D systems, which qualitatively showed a similar behavior. All the investigated samples had one thing in common. The interaction energy between the carriers was considerable higher than their mean kinetic energy due to their movement in the 2D plane. Since the electron-electron interaction was

  12. High-Performance Rh 2 P Electrocatalyst for Efficient Water Splitting

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Haohong [Department; Chemistry; Li, Dongguo [Materials; Tang, Yan [Department; amp, Molecular; He, Yang [Department; Ji, Shufang [Department; Wang, Rongyue [Materials; Lv, Haifeng [Materials; Lopes, Pietro P. [Materials; Paulikas, Arvydas P. [Materials; Li, Haoyi [Department; amp, Molecular; Mao, Scott X. [Department; Wang, Chongmin [Environmental; Markovic, Nenad M. [Materials; Li, Jun [Department; amp, Molecular; Stamenkovic, Vojislav R. [Materials; Li, Yadong [Department

    2017-04-05

    The search for active, stable, and cost-efficient electrocatalysts for hydrogen production via water splitting could make a substantial impact on energy technologies that do not rely on fossil fuels. Here we report the synthesis of rhodium phosphide electrocatalyst with low metal loading in the form of nanocubes (NCs) dispersed in high-surface-area carbon (Rh2P/C) by a facile solvo-thermal approach. The Rh2P/C NCs exhibit remarkable performance for hydrogen evolution reaction and oxygen evolution reaction compared to Rh/C and Pt/C catalysts. The atomic structure of the Rh2P NCs was directly observed by annular dark-field scanning transmission electron microscopy, which revealed a phosphorus-rich outermost atomic layer. Combined experimental and computational studies suggest that surface phosphorus plays a crucial role in determining the robust catalyst properties.

  13. Magnetism and atomic short-range order in Ni-Rh alloys

    Science.gov (United States)

    Carnegie, D. W., Jr.; Claus, H.

    1984-07-01

    Low-field ac susceptibility measurements of Ni-Rh samples of various concentrations are presented. Giant effects of the metallurgical state on the magnetic ordering temperature are associated with changes in the degree of atomic short-range order. By careful control of this degree of short-range order, it is possible to demonstrate the existence of a spin-glass state in Ni-Rh alloys.

  14. The Rh = ct universe in alternative theories of gravity

    Science.gov (United States)

    Sultana, Joseph; Kazanas, Demosthenes

    2017-12-01

    The Λ cold dark matter (ΛCDM) model (one comprising of a cosmological constant Λ and cold dark matter) is generally considered the standard model in cosmology. One of the alternatives that has received attention in the last few years is the Rh = ct universe, which provides an age for the Universe similar to that of ΛCDM and whose (vanishing) deceleration parameter is apparently not inconsistent with observations. Like the ΛCDM, the Rh = ct universe is based on a Friedmann-Robertson-Walker cosmology with the total energy density ρ and pressure p of the cosmic fluid satisfying the simple equation of state ρ + 3p = 0, i.e. a vanishing total active gravitational mass. In an earlier paper, we examined the possible sources for the Rh = ct universe within general relativity, and we have shown that it still contains a dark energy component, albeit not in the form of a cosmological constant. The growing interest in gravitational theories, alternative to Einstein's general relativity, in cosmology, is mainly driven by the need for cosmological models that attain a late-time accelerated expansion without the presence of a cosmological constant as in the ΛCDM, and thereby avoiding the problems associated with it. In this paper, we discuss some of these common alternative theories and show that the Rh = ct is also a solution to some of them.

  15. Altering properties of cerium oxide thin films by Rh doping

    International Nuclear Information System (INIS)

    Ševčíková, Klára; Nehasil, Václav; Vorokhta, Mykhailo; Haviar, Stanislav; Matolín, Vladimír

    2015-01-01

    Highlights: • Thin films of ceria doped by rhodium deposited by RF magnetron sputtering. • Concentration of rhodium has great impact on properties of Rh–CeO x thin films. • Intensive oxygen migration in films with low concentration of rhodium. • Oxygen migration suppressed in films with high amount of Rh dopants. - Abstract: Ceria containing highly dispersed ions of rhodium is a promising material for catalytic applications. The Rh–CeO x thin films with different concentrations of rhodium were deposited by RF magnetron sputtering and were studied by soft and hard X-ray photoelectron spectroscopies, Temperature programmed reaction and X-ray powder diffraction techniques. The sputtered films consist of rhodium–cerium mixed oxide where cerium exhibits a mixed valency of Ce 4+ and Ce 3+ and rhodium occurs in two oxidation states, Rh 3+ and Rh n+ . We show that the concentration of rhodium has a great influence on the chemical composition, structure and reducibility of the Rh–CeO x thin films. The films with low concentrations of rhodium are polycrystalline, while the films with higher amount of Rh dopants are amorphous. The morphology of the films strongly influences the mobility of oxygen in the material. Therefore, varying the concentration of rhodium in Rh–CeO x thin films leads to preparing materials with different properties

  16. New superconductor LaRhSb

    International Nuclear Information System (INIS)

    Nishigori, S.; Moriwaki, H.; Suzuki, T.; Fujita, T.; Tanaka, H.; Takabatake, T.; Fujii, H.

    1994-01-01

    Superconductivity in LaRhSb was newly found below the transition temperature T c = 2.67 K by the measurements of the electrical resistivity, magnetic susceptibility and specific heat in magnetic fields. The characteristics of the superconductivity determined in this study indicate that LaRhSb is a type II superconductor following the BCS theory. (orig.)

  17. Rh-catalyzed linear hydroformylation of styrene

    NARCIS (Netherlands)

    Boymans, E.H.; Janssen, M.C.C.; Mueller, C.; Lutz, M.; Vogt, D.

    2012-01-01

    Usually the Rh-catalyzed hydroformylation of styrene predominantly yields the branched, chiral aldehyde. An inversion of regioselectivity can be achieved using strong p-acceptor ligands. Binaphthol-based diphosphite and bis(dipyrrolyl-phosphorodiamidite) ligands were applied in the Rh-catalyzed

  18. A comparative DFT study on the dehydrogenation of methanol on Rh(100) and Rh(110)

    Science.gov (United States)

    Zhang, Minhua; Wu, Xingyu; Yu, Yingzhe

    2018-04-01

    Numerous density functional theory calculations have been performed to investigate the complete mechanisms of methanol dehydrogenation on Rh(100) and Rh(110) surfaces. The adsorption properties of relevant species were discussed in details. In addition, a comprehensive reaction network including four reaction pathways was built and analyzed. It is found that the initial Osbnd H bond scission of CH3OH seems to be more favorable than Csbnd H bond cleavage on both Rh(100) and Rh(110) surfaces from the perspective of activation barriers. It is also concluded that path1 (CH3OH → CH3O → CH2O → CHO → CO) is the predominant pathway on both Rh(100) and Rh (110) surfaces. On the whole, in most of the dehydrogenation reactions investigated, the energy barriers on Rh(100) are lower than those on Rh (110). Remarkable differences in the activity and predominant reaction pathway on Rh(100), Rh(110) and Rh(111) indicate that the dehydrogenation of methanol might be structure-sensitive.

  19. Control the polarization state of light with symmetry-broken metallic metastructures

    International Nuclear Information System (INIS)

    Xiong, Xiang; Jiang, Shang-Chi; Hu, Yuan-Sheng; Hu, Yu-Hui; Wang, Zheng-Han; Peng, Ru-Wen; Wang, Mu

    2015-01-01

    Controlling the polarization state, the transmission direction, the amplitude and the phase of light in a very limited space is essential for the development of on-chip photonics. Over the past decades, numerous sub-wavelength metallic microstructures have been proposed and fabricated to fulfill these demands. In this article, we review our efforts in achieving negative refractive index, controlling the polarization state, and tuning the amplitude of light with two-dimensional (2D) and three-dimensional (3D) microstructures. We designed an assembly of stacked metallic U-shaped resonators that allow achieving negative refraction for pure magnetic and electric responses respectively at the same frequency by selecting the polarization of incident light. Based on this, we tune the permittivity and permeability of the structure, and achieve negative refractive index. Further, by control the excitation and radiation of surface electric current on a number of 2D and 3D asymmetric metallic metastructures, we are able to control the polarization state of light. It is also demonstrated that with a stereostructured metal film, the whole metal surfaces can be used to construct either polarization-sensitive or polarization-insensitive prefect absorbers, with the advantage of efficient heat dissipation and electric conductivity. Our practice shows that metamaterials, including metasurface, indeed help to master light in nanoscale, and are promising in the development of new generation of photonics

  20. Computer predictions on Rh-based double perovskites with unusual electronic and magnetic properties

    Science.gov (United States)

    Halder, Anita; Nafday, Dhani; Sanyal, Prabuddha; Saha-Dasgupta, Tanusri

    2018-03-01

    In search for new magnetic materials, we make computer prediction of structural, electronic and magnetic properties of yet-to-be synthesized Rh-based double perovskite compounds, Sr(Ca)2BRhO6 (B=Cr, Mn, Fe). We use combination of evolutionary algorithm, density functional theory, and statistical-mechanical tool for this purpose. We find that the unusual valence of Rh5+ may be stabilized in these compounds through formation of oxygen ligand hole. Interestingly, while the Cr-Rh and Mn-Rh compounds are predicted to be ferromagnetic half-metals, the Fe-Rh compounds are found to be rare examples of antiferromagnetic and metallic transition-metal oxide with three-dimensional electronic structure. The computed magnetic transition temperatures of the predicted compounds, obtained from finite temperature Monte Carlo study of the first principles-derived model Hamiltonian, are found to be reasonably high. The prediction of favorable growth condition of the compounds, reported in our study, obtained through extensive thermodynamic analysis should be useful for future synthesize of this interesting class of materials with intriguing properties.

  1. Magnetic phase transitions in Er7Rh3 studied on single crystals

    International Nuclear Information System (INIS)

    Tsutaoka, Takanori; Obata, Keisuke; Cheyvuth, Seng; Koyama, Keiichi

    2014-01-01

    Highlights: • Magnetic and electrical properties of Er 7 Rh 3 were studied on single crystals. • The magnetic phase diagram along the c-axis was constructed. • The field-induced magnetic transitions in Er 7 Rh 3 can be explained by the magnetic structure with two magnetic propagation vectors. • The anomalies of electrical resistivity can also be described by the magnetic structure in Er 7 Rh 3 . - Abstract: Magnetic phase transitions in Er 7 Rh 3 with the Th 7 Fe 3 type hexagonal structure have been studied on single crystals by measuring magnetization, magnetic susceptibility and electrical resistivity. Er 7 Rh 3 possesses antiferromagnetic state below T N = 13 K. In the ordered state, the two successive magnetic transitions at T t1 = 6.2 K and T t2 = 4.5 K were observed. Several field-induced magnetic transitions were also observed along the a- and c-axes below T N ; magnetic field H – temperature T phase diagram along the c-axis was constructed. The field-induced magnetic transitions in Er 7 Rh 3 can be explained by the magnetic structure with two magnetic propagation vectors which were derived by the previous neutron diffraction studies. Electrical resistivity shows humps just below the magnetic transition temperatures, T N and T t1 due to the super-zone gap formation at the Fermi level; these anomalies can also be described by the magnetic structure changes in Er 7 Rh 3

  2. Multi-Stable Conductance States in Metallic Double-Walled Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    Ci Lijie

    2009-01-01

    Full Text Available Abstract Electrical transport properties of individual metallic double-walled carbon nanotubes (DWCNTs were measured down to liquid helium temperature, and multi-stable conductance states were found in DWCNTs. At a certain temperature, DWCNTs can switch continuously between two or more electronic states, but below certain temperature, DWCNTs are stable only at one of them. The temperature for switching is always different from tube to tube, and even different from thermal cycle to cycle for the same tube. In addition to thermal activation, gate voltage scanning can also realize such switching among different electronic states. The multi-stable conductance states in metallic DWCNTs can be attributed to different Fermi level or occasional scattering centers induced by different configurations between their inner and outer tubes.

  3. High charge state metal ion production in vacuum arc ion sources

    International Nuclear Information System (INIS)

    Brown, I.G.; Anders, A.; Anders, S.

    1994-01-01

    The vacuum arc is a rich source of highly ionized metal plasma that can be used to make a high current metal ion source. Vacuum arc ion sources have been developed for a range of applications including ion implantation for materials surface modification, particle accelerator injection for fundamental nuclear physics research, and other fundamental and applied purposes. Typically the source is repetitively pulsed with pulse length of order a millisecond and duty cycle or order 1% and operation of a dc embodiment has been demonstrated also. Beams have been produced from over 50 of the solid metals of the periodic table, with mean ion energy up to several hundred keV and with peak (pulsed) beam current up to several amperes. The ion charge state distribution has been extensively studied. Ion spectra have been measured for a wide range of metallic cathode materials, including Li, C, Mg, Al, Si, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ge, Sr, Y, Zr, Nb, Mo, Pd, Ag, Cd, In, Sn, Sb, Ba, La, Ce, Pr, Nd, Sm, Gd, Dy, Ho, Er, Tm, Yb, Hf, Ta, W, Ir, Pt, Au, Pb, Bi, Th and U, as well as compound and alloy cathode materials such as TiC, SiC, UC, PbS, brass, and stainless steel. The ions generated are in general multiply-stripped with a mean charge state of from 1 to 3, depending on the particular metal species, and the charge state distribution can have components from Q = 1+ to 6+. Here the authors review the characteristics of vacuum arc ion sources from the perspective of their high charge state metal ion production

  4. Compilation of data and descriptions for United States and foreign liquid metal fast breeder reactors

    International Nuclear Information System (INIS)

    Appleby, E.R.

    1975-08-01

    This document is a compilation of design and engineering information pertaining to liquid metal cooled fast breeder reactors which have operated, are operating, or are currently under construction, in the United States and abroad. All data has been taken from publicly available documents, journals, and books

  5. Homogenization of steady-state creep of porous metals using three-dimensional microstructural reconstructions

    DEFF Research Database (Denmark)

    Kwok, Kawai; Boccaccini, Dino; Persson, Åsa Helen

    2016-01-01

    The effective steady-state creep response of porous metals is studied by numerical homogenization and analytical modeling in this paper. The numerical homogenization is based on finite element models of three-dimensional microstructures directly reconstructed from tomographic images. The effects ...... model, and closely matched by the Gibson-Ashby compression and the Ramakrishnan-Arunchalam creep models. [All rights reserved Elsevier]....

  6. Heavy metals balance in Polish and Dutch agronomy : Actual state and previsions for the future

    NARCIS (Netherlands)

    Dach, J.; Starmans, D.A.J.

    2005-01-01

    This paper presents the state of agro-ecosystem contamination with heavy metals in relation to the level of agricultural development. For this, the Polish and Dutch agricultural situations were compared. The intensive animal and vegetable production observed in the Netherlands over the past 20-30

  7. Loss-of-function and gain-of-function phenotypes of stomatocytosis mutant RhAG F65S

    Science.gov (United States)

    Stewart, Andrew K.; Shmukler, Boris E.; Vandorpe, David H.; Rivera, Alicia; Heneghan, John F.; Li, Xiaojin; Hsu, Ann; Karpatkin, Margaret; O'Neill, Allison F.; Bauer, Daniel E.; Heeney, Matthew M.; John, Kathryn; Kuypers, Frans A.; Gallagher, Patrick G.; Lux, Samuel E.; Brugnara, Carlo; Westhoff, Connie M.

    2011-01-01

    Four patients with overhydrated cation leak stomatocytosis (OHSt) exhibited the heterozygous RhAG missense mutation F65S. OHSt erythrocytes were osmotically fragile, with elevated Na and decreased K contents and increased cation channel-like activity. Xenopus oocytes expressing wild-type RhAG and RhAG F65S exhibited increased ouabain and bumetanide-resistant uptake of Li+ and 86Rb+, with secondarily increased 86Rb+ influx sensitive to ouabain and to bumetanide. Increased RhAG-associated 14C-methylammonium (MA) influx was severely reduced in RhAG F65S-expressing oocytes. RhAG-associated influxes of Li+, 86Rb+, and 14C-MA were pharmacologically distinct, and Li+ uptakes associated with RhAG and RhAG F65S were differentially inhibited by NH4+ and Gd3+. RhAG-expressing oocytes were acidified and depolarized by 5 mM bath NH3/NH4+, but alkalinized and depolarized by subsequent bath exposure to 5 mM methylammonium chloride (MA/MA+). RhAG F65S-expressing oocytes exhibited near-wild-type responses to NH4Cl, but MA/MA+ elicited attenuated alkalinization and strong hyperpolarization. Expression of RhAG or RhAG F65S increased steady-state cation currents unaltered by bath Li+ substitution or bath addition of 5 mM NH4Cl or MA/MA+. These oocyte studies suggest that 1) RhAG expression increases oocyte transport of NH3/NH4+ and MA/MA+; 2) RhAG F65S exhibits gain-of-function phenotypes of increased cation conductance/permeability, and loss-of-function phenotypes of decreased and modified MA/MA+ transport, and decreased NH3/NH4+-associated depolarization; and 3) RhAG transports NH3/NH4+ and MA/MA+ by distinct mechanisms, and/or the substrates elicit distinct cellular responses. Thus, RhAG F65S is a loss-of-function mutation for amine transport. The altered oocyte intracellular pH, membrane potential, and currents associated with RhAG or RhAG F65S expression may reflect distinct transport mechanisms. PMID:21849667

  8. Ab initio investigations of magnetic properties of ultrathin transition-metal films on 4d substrates

    Energy Technology Data Exchange (ETDEWEB)

    Al-Zubi, Ali

    2010-12-22

    In this thesis, we investigate the magnetic properties of 3d transition-metal monolayers on 4d transition-metal substrates by means of state of the art first-principles quantum theory. In order to reveal the underlying physics of these systems we study trends by performing systematic investigations across the transition-metal series. Case studies are presented for which Rh has been chosen as exemplary 4d substrate. We consider two substrate orientations, a square lattice provided by Rh(001) and a hexagonal lattice provided by Rh(111). We find, all 3d transition-metal (V, Cr, Mn, Fe, Co and Ni) monolayers deposited on the Rh substrate are magnetic and exhibit large local moments which follow Hund's rule with a maximum magnetic moment for Mn of about 3.7 {mu}{sub B} depending on the substrate orientation. The largest induced magnetic moment of about 0.46 {mu}{sub B} is found for Rh atoms adjacent to the Co(001)-film. On Rh(001) we predict a ferromagnetic (FM) ground state for V, Co and Ni, while Cr, Mn and Fe monolayers favor a c(2 x 2) antiferromagnetic (AFM) state, a checkerboard arrangement of up and down magnetic moments. The magnetic anisotropy energies of these ultrathin magnetic films are calculated for the FM and the AFM states. With the exception of V and Cr, the easy axis of the magnetization is predicted to be in the film plane. With the exception of Fe, analogous results are obtained for the 3d-metal monolayers on Rh(111). For Fe on Rh(111) a novel magnetic ground state is predicted, a double-row-wise antiferromagnetic state along the [11 anti 2] direction, a sequence of ferromagnetic double-rows of atoms, whose magnetic moments couple antiferromagnetically from double row to double row. The magnetic structure can be understood as superposition of a left- and right-rotating flat spin spiral. In a second set of case studies the properties of an Fe monolayer deposited on varies hexagonally terminated hcp (0001) and fcc (111) surfaces of 4d

  9. Ab initio investigations of magnetic properties of ultrathin transition-metal films on 4d substrates

    Energy Technology Data Exchange (ETDEWEB)

    Al-Zubi, Ali

    2010-12-22

    In this thesis, we investigate the magnetic properties of 3d transition-metal monolayers on 4d transition-metal substrates by means of state of the art first-principles quantum theory. In order to reveal the underlying physics of these systems we study trends by performing systematic investigations across the transition-metal series. Case studies are presented for which Rh has been chosen as exemplary 4d substrate. We consider two substrate orientations, a square lattice provided by Rh(001) and a hexagonal lattice provided by Rh(111). We find, all 3d transition-metal (V, Cr, Mn, Fe, Co and Ni) monolayers deposited on the Rh substrate are magnetic and exhibit large local moments which follow Hund's rule with a maximum magnetic moment for Mn of about 3.7 {mu}{sub B} depending on the substrate orientation. The largest induced magnetic moment of about 0.46 {mu}{sub B} is found for Rh atoms adjacent to the Co(001)-film. On Rh(001) we predict a ferromagnetic (FM) ground state for V, Co and Ni, while Cr, Mn and Fe monolayers favor a c(2 x 2) antiferromagnetic (AFM) state, a checkerboard arrangement of up and down magnetic moments. The magnetic anisotropy energies of these ultrathin magnetic films are calculated for the FM and the AFM states. With the exception of V and Cr, the easy axis of the magnetization is predicted to be in the film plane. With the exception of Fe, analogous results are obtained for the 3d-metal monolayers on Rh(111). For Fe on Rh(111) a novel magnetic ground state is predicted, a double-row-wise antiferromagnetic state along the [11 anti 2] direction, a sequence of ferromagnetic double-rows of atoms, whose magnetic moments couple antiferromagnetically from double row to double row. The magnetic structure can be understood as superposition of a left- and right-rotating flat spin spiral. In a second set of case studies the properties of an Fe monolayer deposited on varies hexagonally terminated hcp (0001) and fcc (111) surfaces of 4d-transition metals

  10. Ab initio investigations of magnetic properties of ultrathin transition-metal films on 4d substrates

    International Nuclear Information System (INIS)

    Al-Zubi, Ali

    2010-01-01

    In this thesis, we investigate the magnetic properties of 3d transition-metal monolayers on 4d transition-metal substrates by means of state of the art first-principles quantum theory. In order to reveal the underlying physics of these systems we study trends by performing systematic investigations across the transition-metal series. Case studies are presented for which Rh has been chosen as exemplary 4d substrate. We consider two substrate orientations, a square lattice provided by Rh(001) and a hexagonal lattice provided by Rh(111). We find, all 3d transition-metal (V, Cr, Mn, Fe, Co and Ni) monolayers deposited on the Rh substrate are magnetic and exhibit large local moments which follow Hund's rule with a maximum magnetic moment for Mn of about 3.7 μ B depending on the substrate orientation. The largest induced magnetic moment of about 0.46 μ B is found for Rh atoms adjacent to the Co(001)-film. On Rh(001) we predict a ferromagnetic (FM) ground state for V, Co and Ni, while Cr, Mn and Fe monolayers favor a c(2 x 2) antiferromagnetic (AFM) state, a checkerboard arrangement of up and down magnetic moments. The magnetic anisotropy energies of these ultrathin magnetic films are calculated for the FM and the AFM states. With the exception of V and Cr, the easy axis of the magnetization is predicted to be in the film plane. With the exception of Fe, analogous results are obtained for the 3d-metal monolayers on Rh(111). For Fe on Rh(111) a novel magnetic ground state is predicted, a double-row-wise antiferromagnetic state along the [11 anti 2] direction, a sequence of ferromagnetic double-rows of atoms, whose magnetic moments couple antiferromagnetically from double row to double row. The magnetic structure can be understood as superposition of a left- and right-rotating flat spin spiral. In a second set of case studies the properties of an Fe monolayer deposited on varies hexagonally terminated hcp (0001) and fcc (111) surfaces of 4d-transition metals (Tc, Ru, Rh

  11. Research of state of metal welded joint by deformation and corrosion surface projection parameters

    Directory of Open Access Journals (Sweden)

    Demchenko Maria Vyacheslavovna

    2017-10-01

    Full Text Available At industrial enterprises in building structures and equipment one can see corrosion damage, as well as damage accumulated during operation period. The areas of stress concentration are welded joints as their structure is heterogeneous. From the point of view of the scale hierarchy, the welded joint represents the welded and base metal zones at the meso-macrolevel, the weld zone, the thermal zone, the base metal at the micro-mesolevel, the grain constituents at the nano-microlevel. Borders are the stress concentrators at different scale levels, thus they becomes the most dangerous places of metal structure. Modeling by the molecular dynamics method at the atomic level has shown nanocracks initiation in triple junctions of grain boundaries and on the ledges of the grain boundaries. Due to active development of nanotechnology, it became possible to evaluate the state of the weld metal at the nanoscale, where irreversible changes take place from the very beginning. Existing methods of nondestructive testing can detect damage only at the meso- and macrolevel. Modern equipment makes it possible to use other methods of control and approaches. For example, according to GOST R55046-2012 and R57223-2016, the analysis of the parameters of the surface projection deformation performed by confocal laser scanning microscopy should be taken into account when the evaluation of state of metal pipelines is carried out. However, there is a problem to monitore it due to various factors affecting the surface during operation. The paper proposes an additional method to estimate the state of weld metal at any stage of deformation that uses 3D analysis of the parameters of the «artificial» corrosion relief of surface. During the operation period changes in the stress-strain state and structure of the metal take place, as the result the character and depth of etching of the grains of the structural components and their boundaries change too. Evaluation of the

  12. Correlations between deformations, surface state and leak rate in metal to metal contact; Correlations entre deformations, etat de surface et debit de fuite au contact metal-metal

    Energy Technology Data Exchange (ETDEWEB)

    Armand, G; Lapujoulade, J; Paigne, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1963-07-01

    The study of metal to metal contact from the stand-point of the leak rate has been carried on a copper ring located between two hard-steel flanges. The analysis of the results confirms the hysteresis phenomenon already seen. Some curves (leak rate versus force and leak rate versus true deformation) in semi-logarithmic coordinates are straight lines. Likewise some curves (electrical contact resistance versus force) in bi-logarithmic coordinates are straight lines. All these results can be understood by looking at the conductance introduced by the deformations of the micro-geometry of the surfaces in contact. Some tests carried out in rising the temperature confirm these hypothesis. (authors) [French] L'etude du contact metal-metal du point de vue debit de fuite a ete poursuivie en utilisant un anneau de cuivre place entre brides d'acier dur. L'analyse des resultats confirme le phenomene d'hysteresis deja constate, montre l'influence de l'etat de surface des brides et du joint. Certaines courbes (debit de fuite/force et debit de fuite/deformation rationnelle), en coordonnees semi-logarithmiques, sont des droites. De meme, certaines courbes (resistance de contact/force) en coordonnees bi-logarithmiques, sont des droites. Ces resultats s'interpretent en considerant la conductance produite par la deformation des microgeometries des surfaces en contact. Quelques essais d'elevation de temperature confirment ces resultats. (auteurs)

  13. Rh-flash acquisition card

    International Nuclear Information System (INIS)

    Bourrion, O.

    2003-01-01

    The rh-flash card main purpose is to convert and store the image of the analog data present at input into an output buffer, namely in a given timing window besides a stop signal (like a digital oscilloscope). It is conceived in VME format 1U wide with an additional connector. Novelty of this card is its ability to sample at a high frequency, due to flash coders, and this at a high repetition rate. To do that the card allows the storage of the data considered 'useful' and that is done by storing only the data exceeding a certain threshold. This can be useful for instance for viewing peaks in a spectrum, and obtaining their relative location. The goal is to stock and process the data sampled before and after the arrival of a stop signal (what entails a storage depth). A threshold is defined and any peak exceeding its level will really be stored in the output buffer which is readable through the VME bus. The peak values will be stored as well as m preceding and n subsequent values (both programmable). Obviously, if the threshold is zero the system of data processing is off and all data will be stored. The document is structured on six sections titled: 1. Description; 2. Specifications; 3. Explaining the design of channels; 4. Explaining the shared part of the design; 5. Addressing (→ user guide); 6. Software precautions. (author)

  14. 103Ru/103mRh generator

    International Nuclear Information System (INIS)

    Bartos, B.; Kowalska, E.; Bilewicz, A.; Skarnemark, G.

    2009-01-01

    103m Rh is a very promising radionuclide for Auger electron therapy due to its very low photon/electron ratio. The goal of the present work was the elaboration a method for production of large quantities of 103m Rh for generator system. It was found that the combination of solvent extraction with evaporation of 103 RuO 4 followed by decomposition of H 5 IO 6 makes it possible to produce 103m Rh of high radionuclidic and chemical purity. (author)

  15. Reliable test for prenatal prediction of fetal RhD type using maternal plasma from RhD negative women

    DEFF Research Database (Denmark)

    Clausen, Frederik Banch; Krog, Grethe Risum; Rieneck, Klaus

    2005-01-01

    The objective of this study was to establish a reliable test for prenatal prediction of fetal RhD type using maternal plasma from RhD negative women. This test is needed for future prenatal Rh prophylaxis.......The objective of this study was to establish a reliable test for prenatal prediction of fetal RhD type using maternal plasma from RhD negative women. This test is needed for future prenatal Rh prophylaxis....

  16. Theoretical investigation on improving the ductility of Rh{sub 3}V by ternary addition

    Energy Technology Data Exchange (ETDEWEB)

    Manjula, M.; Sundareswari, M., E-mail: sundare65@gmail.com; Jayalakshmi, D. S.; Viswanathan, E. [Department of Physics, Sathyabama University, Chennai-600119, Tamilnadu (India)

    2015-06-24

    The band structure calculations are performed on the intermetallic compounds Rh{sub 3}V and Rh{sub 3}V{sub x}(Al){sub 1-x} by Full Potential Linearized Augmented Plane Wave(FP-LAPW) method. Total energies are calculated as a function of volume and fitted to Birch-Murnaughan equation of state to find the lattice parameter and the other ground state properties. The ductility of these compounds has been analyzed using Cauchy’s Pressure, Pugh Rule and Poisson’s ratio. From this study we observed that Rh{sub 3}V is brittle while its alloy Rh{sub 3}V{sub 0.875}Al{sub 0.125} is ductile. Electron density plots are illustrated and compared.

  17. Overview of flow studies for recycling metal commodities in the United States

    Science.gov (United States)

    Sibley, Scott F.

    2011-01-01

    Metal supply consists of primary material from a mining operation and secondary material, which is composed of new and old scrap. Recycling, which is the use of secondary material, can contribute significantly to metal production, sometimes accounting for more than 50 percent of raw material supply. From 2001 to 2011, U.S. Geological Survey (USGS) scientists studied 26 metals to ascertain the status and magnitude of their recycling industries. The results were published in chapters A-Z of USGS Circular 1196, entitled, "Flow Studies for Recycling Metal Commodities in the United States." These metals were aluminum (chapter W), antimony (Q), beryllium (P), cadmium (O), chromium (C), cobalt (M), columbium (niobium) (I), copper (X), germanium (V), gold (A), iron and steel (G), lead (F), magnesium (E), manganese (H), mercury (U), molybdenum (L), nickel (Z), platinum (B), selenium (T), silver (N), tantalum (J), tin (K), titanium (Y), tungsten (R), vanadium (S), and zinc (D). Each metal commodity was assigned to a single year: chapters A-M have recycling data for 1998; chapters N-R and U-W have data for 2000, and chapters S, T, and X-Z have data for 2004. This 27th chapter of Circular 1196 is called AA; it includes salient data from each study described in chapters A-Z, along with an analysis of overall trends of metals recycling in the United States during 1998 through 2004 and additional up-to-date reviews of selected metal recycling industries from 1991 through 2008. In the United States for these metals in 1998, 2000, and 2004 (each metal commodity assigned to a single year), 84 million metric tons (Mt) of old scrap was generated. Unrecovered old scrap totaled 43 Mt (about 51 percent of old scrap generated, OSG), old scrap consumed was 38 Mt (about 45 percent of OSG), and net old scrap exports were 3.3 Mt (about 4 percent of OSG). Therefore, there was significant potential for increased recovery from scrap. The total old scrap supply was 88 Mt, and the overall new

  18. Influence of refraction of p-polarized light on photoemission from metallic surface states

    International Nuclear Information System (INIS)

    Bagchi, A.; Barrera, R.G.

    1979-01-01

    The refraction of p-polarized light at a metal surface leads, under certain circumstances, to a large peak in the spatial distribution of the normal component of the electric field near the surface. The origin of this peak is explained both in terms of a classical correspondence and in terms of a theory based on the non-local dielectric response of the metal surface. The significance of the large magnitude and rapid variation of the surface electric field in exciting photoelectrons from surface states is discussed [pt

  19. Time-dependent inelastic analysis of metallic media using constitutive relations with state variables

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, V; Mukherjee, S [Cornell Univ., Ithaca, N.Y. (USA)

    1977-03-01

    A computational technique in terms of stress, strain and displacement rates is presented for the solution of boundary value problems for metallic structural elements at uniform elevated temperatures subjected to time varying loads. This method can accommodate any number of constitutive relations with state variables recently proposed by other researchers to model the inelastic deformation of metallic media at elevated temperatures. Numerical solutions are obtained for several structural elements subjected to steady loads. The constitutive relations used for these numerical solutions are due to Hart. The solutions are discussed in the context of the computational scheme and Hart's theory.

  20. Characteristic of metallic state preperties of mendelevium and other actinoids by thermochcomatography

    International Nuclear Information System (INIS)

    Hubener, S.; Zvara, I.

    1982-01-01

    The adsorption of the heavy actinoids Cf, Es, Fm, and Md on polycrystalline titanium and molybdenum has been studied by thermochromatography in comparison with several well-known metallic elements, in trace amounts. The data lead us to suggest that Es, Fm, and Md are divalent in the metallic state and, moreover, that the position of their f energy levels relativg to the Fermi-energy is lower than in the cases of Cf and Yb. A correlation was found between the experimental enthalpies of adsorption of the heavy actinoids and their predicted enthalpies of sublimation

  1. Magnetic states, correlation effects and metal-insulator transition in FCC lattice

    Science.gov (United States)

    Timirgazin, M. A.; Igoshev, P. A.; Arzhnikov, A. K.; Irkhin, V. Yu

    2016-12-01

    The ground-state magnetic phase diagram (including collinear and spiral states) of the single-band Hubbard model for the face-centered cubic lattice and related metal-insulator transition (MIT) are investigated within the slave-boson approach by Kotliar and Ruckenstein. The correlation-induced electron spectrum narrowing and a comparison with a generalized Hartree-Fock approximation allow one to estimate the strength of correlation effects. This, as well as the MIT scenario, depends dramatically on the ratio of the next-nearest and nearest electron hopping integrals {{t}\\prime}/t . In contrast with metallic state, possessing substantial band narrowing, insulator one is only weakly correlated. The magnetic (Slater) scenario of MIT is found to be superior over the Mott one. Unlike simple and body-centered cubic lattices, MIT is the first order transition (discontinuous) for most {{t}\\prime}/t . The insulator state is type-II or type-III antiferromagnet, and the metallic state is spin-spiral, collinear antiferromagnet or paramagnet depending on {{t}\\prime}/t . The picture of magnetic ordering is compared with that in the standard localized-electron (Heisenberg) model.

  2. Equation of limiting plasticity of the metal upon complex stress state

    International Nuclear Information System (INIS)

    Tin'gaev, A.K.

    2002-01-01

    A method for evaluation of the limiting plasticity of the metal in the zones of complex 3D stress state is presented. An analytic equation is derived for limiting plasticity. Parameters of the equation are expresses through the standard characteristics of the mechanical properties determined upon static tension of the smooth sample. Introduced into the obtained analytical equation is a universal fracture constant which indirectly characterizes the state of the material from the point of view of its capacity for elastic overstrain relaxation in the form of plastic flow or fracture. The new equation makes it possible to estimate the limiting plasticity of the metal in a state of complex stress on the basis of traditional characteristics of mechanical properties, which are not difficult to determine [ru

  3. Use of state variables in the description of irradiation creep and deformation of metals

    International Nuclear Information System (INIS)

    Hart, E.W.; Li, C.Y.

    1976-01-01

    The understanding of the effects of irradiation on metal creep and deformation are not yet satisfactory, owing in part to the limitations on experimentation in radiation environment. Because of such limitations, theoretical considerations must play a strong role. Virtually all of the theoretical considerations currently employed are based on micro-mechanical models for the deformation behavior. The recent theoretical and experimental development of a plastic equation of state for metal deformation has led to the identification of some of the principal micro-mechanisms in phenomenological terms. The role of the individual mechanisms can be related to the state variables of the description, and those variables are directly accessible measurable quantities. This paper explores how irradiation might affect this description. It is shown that the radiation flux and the radiation fluence are expected to affect different components of the equation of state. The resultant description makes considerable use of the information developed in radiation-free environment. 5 fig

  4. On matrix stabilisation of d- and f-transition metal ions in unstable oxidation states

    Energy Technology Data Exchange (ETDEWEB)

    Kiselev, Yurii M [Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow (Russian Federation)

    2009-01-31

    The state-of-the-art in matrix stabilisation of d- and f-transition metal ions in unstable oxidation states is analysed. Main aspects of this problem concerning the genealogy of appropriate matrix systems are classified. Relevant examples are given and the data that contradict the scheme proposed are discussed. The thermodynamics of the matrix stabilisation effect is considered using the concept of isomorphic miscibility. The influence of defects and non-equilibrium on the matrix stabilisation effect is discussed. The problem of identification of the oxidation states in matrix systems is examined and various types of matrix systems are considered.

  5. On matrix stabilisation of d- and f-transition metal ions in unstable oxidation states

    International Nuclear Information System (INIS)

    Kiselev, Yurii M

    2009-01-01

    The state-of-the-art in matrix stabilisation of d- and f-transition metal ions in unstable oxidation states is analysed. Main aspects of this problem concerning the genealogy of appropriate matrix systems are classified. Relevant examples are given and the data that contradict the scheme proposed are discussed. The thermodynamics of the matrix stabilisation effect is considered using the concept of isomorphic miscibility. The influence of defects and non-equilibrium on the matrix stabilisation effect is discussed. The problem of identification of the oxidation states in matrix systems is examined and various types of matrix systems are considered.

  6. On the effect of image states on resonant neutralization of hydrogen anions near metal surfaces

    International Nuclear Information System (INIS)

    Chakraborty, Himadri S.; Niederhausen, Thomas; Thumm, Uwe

    2005-01-01

    We directly assess the role of image state electronic structures on the ion-survival by comparing the resonant charge transfer dynamics of hydrogen anions near Pd(1 1 1), Pd(1 0 0), and Ag(1 1 1) surfaces. Our simulations show that image states that are degenerate with the metal conduction band favor the recapture of electrons by outgoing ions. In sharp contrast, localized image states that occur inside the band gap hinder the recapture process and thus enhance the ion-neutralization probability

  7. Coherence Kondo gap in CeNiSn and CeRhSb

    International Nuclear Information System (INIS)

    Takabatake, T.; Nakamoto, G.; Tanaka, H.; Bando, Y.; Fujii, H.; Nishigori, S.; Goshima, H.; Suzuki, T.; Fujita, T.; Oguro, I.; Hiraoka, T.; Malik, S.K.

    1994-01-01

    CeNiSn and CeRhSb are Kondo-lattice compounds showing the behavior of a small-gap semiconductor at temperatures below 7 K. We review and discuss the magnetic, transport and specific-heat measurements performed on single crystals of CeNiSn and polycrystals of CeRhSb. Prerequisites for gap formation are deduced from the effects of substitution and application of a magnetic field and pressure on the gapped state. ((orig.))

  8. Lattice dynamics of KxRhO2 single crystals

    Directory of Open Access Journals (Sweden)

    Bin-Bin Zhang

    2015-08-01

    Full Text Available A series of crystals KxRhO2 (x = 0.72, 0.63, 0.55, 0.39, and 0.24 have been synthesized and their vibrational properties have been studied by first principles calculations, Raman spectroscopy, and inelastic neutron scattering. The measured vibrational spectra of KxRhO2 for x = 0.72 and 0.63 are consistent with the theoretical prediction for the stoichiometric KRhO2. For samples with x = 0.55, 0.39 and 0.24, extra vibrational modes have been observed and they are believed to be due to the symmetry reduction and the loss of translational symmetry induced by K disorder. The good agreement was found for the phonon density of states among the Raman spectroscopic observations, inelastic neutron scattering and the first principles calculations, as an evidence for the generation of structure disorder by K deficiency.

  9. Absolute calibration of the Rh-103(n,n')Rh-103m reaction rate

    International Nuclear Information System (INIS)

    Taylor, W.H.; Murphy, M.F.; March, M.R.

    1979-05-01

    The uncertainties in determining the absolute values of the Rh-103(n, n') Rh-103m reaction rate (which is widely used as a neutron damage flux monitor) have been reduced to approximately +-5%. This has been achieved with the use of a calibrated source of Pd-103-Rh-103m activity supplied by the IAEA. Agreement to within 3% between measured and calculated values of the reaction rate (normalised to the U-238 fission rate) has been achieved. (author)

  10. Coupled Optical Tamm States in a Planar Dielectric Mirror Structure Containing a Thin Metal Film

    International Nuclear Information System (INIS)

    Zhou Hai-Chun; Yang Guang; Lu Pei-Xiang; Wang Kai; Long Hua

    2012-01-01

    The coupling between two optical Tamm states (OTSs) with the same eigenenergy is numerically investigated in a planar dielectric mirror structure containing a thin metal film. The reflectivity map in this structure at normal incidence is obtained by applying the transfer matrix method. Two splitting branches appear in the photonic bandgap region when both adjacent dielectric layers of metal film are properly set. The splitting energy of two branches strongly depends on the thickness of the metal film. According to the electric field distribution in this structure, it is found that the high-energy branch corresponds to the antisymmetric coupling between two OTSs, while the low-energy branch is associated with the symmetric coupling between two OTSs. Moreover, the optical difference frequency of two branches is located in a broad terahertz region. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  11. Solid-State Recycling of Light Metal Reinforced Inclusions by Equal Channel Angular Pressing: A Review

    Directory of Open Access Journals (Sweden)

    Al-Alimi Sami.

    2017-01-01

    Full Text Available Solid-state recycling of light metals reinforced inclusions through hot Equal Channel Angular Pressing (ECAP is performed to directly recycle metal scraps and reduce cost of material in engineering applications. The ECAP is one of the most important method in severe plastic deformation (SPD that can convert light metals into finished products. This paper reviews several experimental and numerical works that have been done to investigate the effects of the ECAP parameters such as die angles, material properties, outer corner angle, friction coefficient, temperature, size of chips, pressing force, ram speed and direct effects of number of passes on the strain distributions. It also includes the performance enhancement of aluminium matrix composite reinforced ceramic-based particles that derived from direct recycled aluminium chips for sustainable manufacturing practices.

  12. Comparison of long GnRH agonist versus GnRH antagonist protocol in poor responders

    Directory of Open Access Journals (Sweden)

    Sadık Şahin

    2014-12-01

    Full Text Available Objective: To compare long GnRH agonist with GnRH antagonist protocol in poor responders. Materials and Methods: Medical charts of 531 poor responder women undergoing in-vitro fertilization (IVF cycle at Zeynep Kamil Maternity and Children’s Hospital, IVF Center were retrospectively analysed. Those who received at least 300 IU/daily gonadotropin and had ≤3 oocytes retrieved were enrolled in the study. Poor responders were categorized into two groups as those who received long GnRH agonist or GnRH antagonist regimen. Results: Treatment duration and total gonadotropin dosage were significantly higher in women undergoing the long GnRH agonist regimen compared with the GnRH antagonist regimen (p<0.001 for both. Although the number of total and mature oocytes retrieved was similar between the groups, good quality embryos were found to be higher in the GnRH antagonist regimen. The day of embryo transfer and number of transferred embryos were similar in the groups. No statistically significant differences were detected in pregnancy (10.5% vs 14.1%, clinical pregnancy (7.7% vs 10.6% and early pregnancy loss rates (27.2% vs 35% between the groups. Conclusion: GnRH antagonist regimen may be preferable to long GnRH regimen as it could decrease the cost and treatment duration in poor responders.

  13. Correlation between local structure and stability of supercooled liquid state in Zr-based metallic glasses

    International Nuclear Information System (INIS)

    Saida, Junji; Imafuku, Muneyuki; Sato, Shigeo; Sanada, Takashi; Matsubara, Eiichiro; Inoue, Akihisa

    2007-01-01

    The correlation between the local structure and stability of supercooled liquid state is investigated in the Zr 70 (Ni, Cu) 30 binary and Zr 70 Al 10 (Ni, Cu) 20 (numbers indicate at.%) ternary metallic glasses. The Zr 70 Ni 30 binary amorphous alloy with a low stability of supercooled liquid state has a tetragonal Zr 2 Ni-like local structure around Ni atom. Meanwhile, the Zr 70 Cu 30 binary metallic glass has a different local structure of tetragonal Zr 2 Cu, where we suggest the icosahedral local structure by the quasicrystallization behavior in addition of a very small amount of noble metals. The effect of Al addition on the local structure in the Zr-Ni alloy is also examined. We have investigated that the dominant local structure changes in the icosahedral-like structure from the tetragonal Zr 2 Ni-like local structure by the Al substitution with Ni accompanying with the significant stabilization of supercooled liquid state. It is concluded that the formation of icosahedral local structure contributes to the enhancement of stability of supercooled liquid state in the Zr-based alloys

  14. How metallic is the binding state of indium hosted by excess-metal chalcogenides in ore deposits?

    Science.gov (United States)

    Ondina Figueiredo, Maria; Pena Silva, Teresa; Oliveira, Daniel; Rosa, Diogo

    2010-05-01

    Discovered in 1863, indium is nowadays a strategic scarce metal used both in classical technologic fields (like low melting-temperature alloys and solders) and in innovative nano-technologies to produce "high-tech devices" by means of new materials, namely liquid crystal displays (LCDs), organic light emitting diodes (OLEDs) and the recently introduced transparent flexible thin-films manufactured with ionic amorphous oxide semiconductors (IAOS). Indium is a typical chalcophile element, seldom forming specific minerals and occurring mainly dispersed within polymetallic sulphides, particularly with excess metal ions [1]. The average content of indium in the Earth's crust is very low but a further increase in its demand is still expected in the next years, thus focusing a special interest in uncovering new exploitation sites through promising polymetallic sulphide ores - e.g., the Iberian Pyrite Belt (IPB) [2] - and in improving recycling technologies. Indium recovery stands mostly on zinc extraction from sphalerite, the natural cubic sulphide which is the prototype of so-called "tetrahedral sulphides" where metal ions fill half of the available tetrahedral sites within the cubic closest packing of sulphur anions where the double of unfilled interstices are available for further in-filling. It is worth remarking that such packing array is particularly suitable for accommodating polymetallic cations by filling closely located interstitial sites [3] as happens in excess-metal tetrahedral sulphides - e.g. bornite, ideally Cu5FeS4, recognized as an In-carrying mineral [4]. Studying the tendency towards In-In interactions able of leading to the formation of polycations would efficiently contribute to understand indium crystal chemistry and the metal binding state in natural chalcogenides. Accordingly, an X-ray absorption near-edge spectroscopy (XANES) study at In L3-edge was undertaken using the instrumental set-up of ID21 beamline at the ESRF (European Synchrotron

  15. Identification of Genes Enriched in GnRH Neurons by Translating Ribosome Affinity Purification and RNAseq in Mice.

    Science.gov (United States)

    Burger, Laura L; Vanacker, Charlotte; Phumsatitpong, Chayarndorn; Wagenmaker, Elizabeth R; Wang, Luhong; Olson, David P; Moenter, Suzanne M

    2018-04-01

    Gonadotropin-releasing hormone (GnRH) neurons are a nexus of fertility regulation. We used translating ribosome affinity purification coupled with RNA sequencing to examine messenger RNAs of GnRH neurons in adult intact and gonadectomized (GDX) male and female mice. GnRH neuron ribosomes were tagged with green fluorescent protein (GFP) and GFP-labeled polysomes isolated by immunoprecipitation, producing one RNA fraction enhanced for GnRH neuron transcripts and one RNA fraction depleted. Complementary DNA libraries were created from each fraction and 50-base, paired-end sequencing done and differential expression (enhanced fraction/depleted fraction) determined with a threshold of >1.5- or <0.66-fold (false discovery rate P ≤ 0.05). A core of ∼840 genes was differentially expressed in GnRH neurons in all treatments, including enrichment for Gnrh1 (∼40-fold), and genes critical for GnRH neuron and/or gonadotrope development. In contrast, non-neuronal transcripts were not enriched or were de-enriched. Several epithelial markers were also enriched, consistent with the olfactory epithelial origins of GnRH neurons. Interestingly, many synaptic transmission pathways were de-enriched, in accordance with relatively low innervation of GnRH neurons. The most striking difference between intact and GDX mice of both sexes was a marked downregulation of genes associated with oxidative phosphorylation and upregulation of glucose transporters in GnRH neurons from GDX mice. This may suggest that GnRH neurons switch to an alternate fuel to increase adenosine triphosphate production in the absence of negative feedback when GnRH release is elevated. Knowledge of the GnRH neuron translatome and its regulation can guide functional studies and can be extended to disease states, such as polycystic ovary syndrome.

  16. Detection of boron in metal alloys with solid state nuclear track detector by neutron induced autoradiography

    International Nuclear Information System (INIS)

    Ali Nabipour; Hosseini, A.; Afarideh, H.

    2002-01-01

    Neutron induced autoradiography is very useful technique for detection as well as measurement of Boron densities in metal alloys. The method is relatively simple and quite sensitive in comparison with other techniques with resolution in the range of PPM. Using this technique with it is also possible to investigate microscopic scattering of Boron in metal alloys. In comparison with most techniques neutron induced autoradiography has its own difficulties and limitations. In this research measurement of Boron densities and investigation of that diffusion in metal alloys has been carried out. A flat nicely polished Boron doped metal samples is covered with a track detecting plastic (CR-39 solid state nuclear track detector) and exposed to thermal neutron dose. After irradiation the plastic detector have been removed and put in an etching solution. Since the diffusion rate of corrosive solution in those area, which heavy ions have been, produces as the result of nuclear reaction with thermal neutron are more than the other areas, some cavities are formed. The diameter of cavities or tracks cross section are increased with increasing the etching time, to some extent that it is possible to observe the cavities with optical microscopes. The density of tracks on the detector surface is directly related to the Boron concentration in the sample and thermal neutron dose. So by measuring the number of tracks on surface of the detector it would possible to calculate the concentration of Boron in metal samples. (Author)

  17. Effect of surface states on electrical characteristic of metal - insulator - semiconductor (MIS) diodes

    International Nuclear Information System (INIS)

    Altindal, S.; Doekme, I.; Tataroglu, A.; Sahingoez, R.

    2002-01-01

    The current-voltage (I-V) characteristics of Metal-Insulator-Semiconductor (MIS) Schottky barrier diodes which is consider distribution of interface states in equilibrium with semiconductor were determined at two (low and high) temperature. The interface states were responsible for non-ideal behavior of the forward I-V characteristic of diodes. Both diodes (n and p type Si) showed non-ideal behavior with an ideality factor 1.6 and 1.85 respectively at room temperature. The higher values of n-type Si were attributed to an order of magnitude higher density of interface states in the both diodes. The effect of an interfacial insulator layer between the metal and semiconductor are also studied. The high density of interface states also caused a reduction in the barrier height of the MIS diode. It is shown that by using Norde function at low and high temperature, barrier height □ b , series resistance R s and ideality factor n can be determined even in the case 1 s obtained from Norde function strongly depend on temperature, and decrease with increasing temperature. In addition, the potential barrier height increases with increasing temperature. The mean density of interface states N ss decreases with increasing temperature. Particularly at low temperature the I-V characteristics are controlled by interface states density

  18. Image-potential states on the metallic (111) surface of bismuth

    International Nuclear Information System (INIS)

    Muntwiler, Matthias; Zhu, X-Y

    2008-01-01

    An extended series (up to n=6, in quantum beats) of image-potential states (IPS) is observed in time-resolved two-photon photoelectron (TR-2PPE) spectroscopy of the Bi(111) surface. Although mainly located in the vacuum, these states probe various properties of the electronic structure of the surface as reflected in their energetics and dynamics. Based on the observation of IPS a projected gap in the surface normal direction is inferred in the region from 3.57 to 4.27 eV above the Fermi level. Despite this band gap, the lifetimes of the IPS are shorter than on comparable metals, which is an indication of the metallic character of the Bi(111) surface.

  19. Equation of state for thermodynamic properties of pure and mixtures liquid alkali metals

    International Nuclear Information System (INIS)

    Mousazadeh, M.H.; Faramarzi, E.; Maleki, Z.

    2010-01-01

    We developed an equation of state based on statistical-mechanical perturbation theory for pure and mixtures alkali metals. Thermodynamic properties were calculated by the equation of state, based on the perturbed-chain statistical associating fluid theory (PC-SAFT). The model uses two parameters for a monatomic system, segment size, σ, and segment energy, ε. In this work, we calculate the saturation and compressed liquid density, heat capacity at constant pressure and constant volume, isobaric expansion coefficient, for which accurate experimental data exist in the literatures. Results on the density of binary and ternary alkali metal alloys of Cs-K, Na-K, Na-K-Cs, at temperatures from the freezing point up to several hundred degrees above the boiling point are presented. The calculated results are in good agreement with experimental data.

  20. Platinum-group elements fractionation by selective complexing, the Os, Ir, Ru, Rh-arsenide-sulfide systems above 1020 °C

    Science.gov (United States)

    Helmy, Hassan M.; Bragagni, Alessandro

    2017-11-01

    The platinum-group element (PGE) contents in magmatic ores and rocks are normally in the low μg/g (even in the ng/g) level, yet they form discrete platinum-group mineral (PGM) phases. IPGE (Os, Ir, Ru) + Rh form alloys, sulfides, and sulfarsenides while Pt and Pd form arsenides, tellurides, bismuthoids and antimonides. We experimentally investigate the behavior of Os, Ru, Ir and Rh in As-bearing sulfide system between 1300 and 1020 °C and show that the prominent mineralogical difference between IPGE (+Rh) and Pt and Pd reflects different chemical preference in the sulfide melt. At temperatures above 1200 °C, Os shows a tendency to form alloys. Ruthenium forms a sulfide (laurite RuS2) while Ir and Rh form sulfarsenides (irarsite IrAsS and hollingworthite RhAsS, respectively). The chemical preference of PGE is selective: IPGE + Rh form metal-metal, metal-S and metal-AsS complexes while Pt and Pd form semimetal complexes. Selective complexing followed by mechanical separation of IPGE (and Rh)-ligand from Pt- and Pd-ligand associations lead to PGE fractionation.

  1. Steady-state fission gas behavior in uranium-plutonium-zirconium metal fuel elements

    International Nuclear Information System (INIS)

    Steele, W.G.; Wazzan, A.R.; Okrent, D.

    1989-01-01

    An analysis of fission gas release and induced swelling in steady state irradiated U-Pu-Zr metal fuels is developed and computer coded. The code is used to simulate, with fair success, some gas release and induced swelling data obtained under the IFR program. It is determined that fuel microstructural changes resulting from zirconium migration, anisotropic swelling, and thermal variations are major factors affecting swelling and gas release behavior. (orig.)

  2. Properties of the triplet metastable states of the alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Bromley, M.W.J.

    2004-01-01

    The static and dynamic properties of the alkaline-earth-metal atoms in their metastable state are computed in a configuration interaction approach with a semiempirical model potential for the core. Among the properties determined are the scalar and tensor polarizabilities, the quadrupole moment, some of the oscillator strengths, and the dispersion coefficients of the van der Waals interaction. A simple method for including the effect of the core on the dispersion parameters is described

  3. The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.

    Science.gov (United States)

    Tian, Di; Winter, Stephen M; Mailman, Aaron; Wong, Joanne W L; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S; Desgreniers, Serge; Secco, Richard A; Julian, Stephen R; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T

    2015-11-11

    Pressure-induced changes in the solid-state structures and transport properties of three oxobenzene-bridged bisdithiazolyl radicals 2 (R = H, F, Ph) over the range 0-15 GPa are described. All three materials experience compression of their π-stacked architecture, be it (i) 1D ABABAB π-stack (R = Ph), (ii) quasi-1D slipped π-stack (R = H), or (iii) 2D brick-wall π-stack (R = F). While R = H undergoes two structural phase transitions, neither of R = F, Ph display any phase change. All three radicals order as spin-canted antiferromagnets, but spin-canted ordering is lost at pressures pressure, and the thermal activation energy for conduction Eact is eliminated at pressures ranging from ∼3 GPa for R = F to ∼12 GPa for R = Ph, heralding formation of a highly correlated (or bad) metallic state. For R = F, H the pressure-induced Mott insulator to metal conversion has been tracked by measurements of optical conductivity at ambient temperature and electrical resistivity at low temperature. For R = F compression to 6.2 GPa leads to a quasiquadratic temperature dependence of the resistivity over the range 5-300 K, consistent with formation of a 2D Fermi liquid state. DFT band structure calculations suggest that the ease of metallization of these radicals can be ascribed to their multiorbital character. Mixing and overlap of SOMO- and LUMO-based bands affords an increased kinetic energy stabilization of the metallic state relative to a single SOMO-based band system.

  4. Determination of the oxidation states of metals and metalloids: An analytical review

    Science.gov (United States)

    Vodyanitskii, Yu. N.

    2013-12-01

    The hazard of many heavy metals/metalloids in the soil depends on their oxidation state. The problem of determining the oxidation state has been solved due to the use of synchrotron radiation methods with the analysis of the X-ray absorption near-edge structure (XANES). The determination of the oxidation state is of special importance for some hazardous heavy elements (arsenic, antimony, selenium, chromium, uranium, and vanadium). The mobility and hazard of each of these elements depend on its oxidation state. The mobilities are higher at lower oxidation states of As, Cr, V, and Se and at higher oxidation states of Sb and U. The determination of the oxidation state of arsenic has allowed revealing its fixation features in the rhizosphere of hydrophytes. The known oxidation states of chromium and uranium are used for the retention of these elements on geochemical barriers. Different oxidation states have been established for vanadium displacing iron in goethite. The determination of the oxidation state of manganese in the rhizosphere and the photosynthetic apparatus of plants is of special importance for agricultural chemists.

  5. Magnetic and magneto-optical properties of FeRh thin films

    International Nuclear Information System (INIS)

    Inoue, Sho; Nam, Nguyen T.; Phuoc, Nguyen N.; Cao Jiangwei; Yu Ko, Hnin Yu; Suzuki, Takao

    2008-01-01

    The magnetic and magneto-optical properties of FeRh thin films epitaxially deposited onto MgO(1 0 0) substrates by RF sputter-deposition system have been investigated in conjunction with the structure. An intriguing virgin effect has been found in the M-T curves of the as-deposited FeRh thin films, which is presumably interpreted in term of a change in structural phase when heating. Also, a (negative) maximum peak of Kerr rotation at around 3.8 eV has been observed when FeRh thin films are in ferromagnetic state. The polar Kerr rotation angle is found to increase at temperatures above 100 deg. C, which corresponds to the antiferromagnet (AF)-ferromagnet (FM) transition of FeRh thin films

  6. Quantum State-Resolved Collision Dynamics of Nitric Oxide at Ionic Liquid and Molten Metal Surfaces

    Science.gov (United States)

    Zutz, Amelia Marie

    Detailed molecular scale interactions at the gas-liquid interface are explored with quantum state-to-state resolved scattering of a jet-cooled beam of NO(2pi1/2; N = 0) from ionic liquid and molten metal surfaces. The scattered distributions are probed via laser-induced fluorescence methods, which yield rotational and spin-orbit state populations that elucidate the dynamics of energy transfer at the gas-liquid interface. These collision dynamics are explored as a function of incident collision energy, surface temperature, scattering angle, and liquid identity, all of which are found to substantially affect the degree of rotational, electronic and vibrational excitation of NO via collisions at the liquid surface. Rotational distributions observed reveal two distinct scattering pathways, (i) molecules that trap, thermalize and eventually desorb from the surface (trapping-desorption, TD), and (ii) those that undergo prompt recoil (impulsive scattering, IS) prior to complete equilibration with the liquid surface. Thermally desorbing NO molecules are found to have rotational temperatures close to, but slightly cooler than the surface temperature, indicative of rotational dependent sticking probabilities on liquid surfaces. Nitric oxide is a radical with multiple low-lying electronic states that serves as an ideal candidate for exploring nonadiabatic state-changing collision dynamics at the gas-liquid interface, which induce significant excitation from ground (2pi1/2) to excited (2pi 3/2) spin-orbit states. Molecular beam scattering of supersonically cooled NO from hot molten metals (Ga and Au, Ts = 300 - 1400 K) is also explored, which provide preliminary evidence for vibrational excitation of NO mediated by thermally populated electron-hole pairs in the hot, conducting liquid metals. The results highlight the presence of electronically nonadiabatic effects and build toward a more complete characterization of energy transfer dynamics at gas-liquid interfaces.

  7. Quantitative chemical state XPS analysis of first row transition metals, oxides and hydroxides

    Energy Technology Data Exchange (ETDEWEB)

    Biesinger, M C; Payne, B P; McIntryre, N S [Department of Chemistry, University of Western Ontario, London, Ontario, N6A 5B7 (Canada); Hart, B R; Lau, L Wm [Surface Science Western, Room G1, Western Science Centre, University of Western Ontario, London, Ontario, N6A 5B7 (Canada); Grosvenor, A P [Department of Chemistry, Gunning/Lemieux Chemistry Centre, University of Alberta, Edmonton, Alberta, T6G 2G2 (Canada); Smart, R StC [ACeSSS, Applied Centre for Structural and Synchrotron Studies, University of South Australia, Mawson Lakes, SA 5095 (Australia)], E-mail: biesingr@uwo.ca

    2008-03-15

    Practical quantitative chemical state X-ray photoelectron spectroscopy (XPS) analysis of first row transition metals, oxides and hydroxides is challenging due to the complexity of their M 2p spectra. Complex multiplet splitting, shake-up and plasmon loss structure can play a role in the interpretation of the chemical states present. This paper will show practical curve fitting procedures for the quantitative measurement of different chemical states for metal oxides and hydroxides from a survey of transition metals. It will also discuss some of the limitations and pitfalls present as well as give practical examples of their successful use. These curve-fitting procedures are based on 1) standard spectra from quality reference samples, 2) a survey of appropriate literature databases and/or a compilation of literature references, 3) fitting of multiplet split spectra based on spectra of numerous reference materials and theoretical modelling, 4) spectral subtractions routines, again using reference spectra, and 5) specific literature references where fitting procedures are available.

  8. Quantitative chemical state XPS analysis of first row transition metals, oxides and hydroxides

    International Nuclear Information System (INIS)

    Biesinger, M C; Payne, B P; McIntryre, N S; Hart, B R; Lau, L Wm; Grosvenor, A P; Smart, R StC

    2008-01-01

    Practical quantitative chemical state X-ray photoelectron spectroscopy (XPS) analysis of first row transition metals, oxides and hydroxides is challenging due to the complexity of their M 2p spectra. Complex multiplet splitting, shake-up and plasmon loss structure can play a role in the interpretation of the chemical states present. This paper will show practical curve fitting procedures for the quantitative measurement of different chemical states for metal oxides and hydroxides from a survey of transition metals. It will also discuss some of the limitations and pitfalls present as well as give practical examples of their successful use. These curve-fitting procedures are based on 1) standard spectra from quality reference samples, 2) a survey of appropriate literature databases and/or a compilation of literature references, 3) fitting of multiplet split spectra based on spectra of numerous reference materials and theoretical modelling, 4) spectral subtractions routines, again using reference spectra, and 5) specific literature references where fitting procedures are available

  9. Preserving half-metallic surface states in Cr O2 : Insights into surface reconstruction rules

    Science.gov (United States)

    Deng, Bei; Shi, X. Q.; Chen, L.; Tong, S. Y.

    2018-04-01

    The issue of whether the half-metallic (HM) nature of Cr O2 could be retained at its surface has been a standing problem under debate for a few decades, but until now is still controversial. Here, based on the density functional theory calculations we show, in startling contrast to the previous theoretical understandings, that the surfaces of Cr O2 favorably exhibit a half-metallic-semiconducting (SmC) transition driven by means of a surface electronic reconstruction largely attributed to the participation of the unexpected local charge carriers (LCCs), which convert the HM double exchange surface state into a SmC superexchange state and in turn, stabilize the surface as well. On the basis of the LCCs model, a new insight into the surface reconstruction rules is attained. Our novel finding not only provided an evident interpretation for the widely observed SmC character of Cr O2 surface, but also offered a novel means to improve the HM surface states for a variety of applications in spintronics and superconductors, and promote the experimental realization of the quantum anomalous Hall effect in half-metal based systems.

  10. Hypersensitivity reaction with intravenous GnRH after pulsatile subcutaneous GnRH treatment in male hypogonadotrophic hypogonadism.

    OpenAIRE

    Popović, V.; Milosević, Z.; Djukanović, R.; Micić, D.; Nesović, M.; Manojlović, D.; Djordjević, P.; Mićić, J.

    1988-01-01

    Chronic pulsatile subcutaneous administration of low doses of gonadotrophin releasing hormone (GnRH) is an effective therapy for men with hypogonadotrophic hypogonadism. Hypersensitivity reactions to GnRH are rare. We wish to report hypersensitivity reactions with intravenous GnRH after low dose subcutaneous pulsatile GnRH treatment in two men with hypogonadotrophic hypogonadism due to suprasellar disease.

  11. Polymorphism in the Mr 32,000 Rh protein purified from Rh(D)-positive and -negative erythrocytes

    International Nuclear Information System (INIS)

    Saboori, A.M.; Smith, B.L.; Agre, P.

    1988-01-01

    A M r 32,000 integral membrane protein has previously been identified on erythrocytes bearing the Rh(D) antigen and is thought to contain the antigenic variations responsible for the different Rh phenotypes. To study it on a biochemical level, a simple large-scale method was developed to purify the M r 32,000 Rh protein from multiple units of Rh(D)-positive and -negative blood. Erythrocyte membrane vesicles were solubilized in NaDodSO 4 , and a tracer of immunoprecipitated 125 I surface-labeled Rh protein was added. The Rh protein was purified to homogeneity by hydroxylapatite chromatography followed by preparative NaDodSO 4 /PAGE. Approximately 25 nmol of pure Rh protein was recovered from each unit of Rh(D)-positive and -negative blood. Rh protein purified from both Rh phenotypes appeared similar by one-dimensional NaDodSO 4 /PAGE, and the N-terminal amino acid sequences for the first 20 residues were identical. Rh proteins purified from Rh(D)-positive and -negative blood were compared by two-dimensional iodopeptide mapping after 125 I-labeling and α-chymotrypsin digestion. The peptide maps were very similar. These data indicate that a similar core Rh protein exists in both Rh(D)-positive and -negative erythrocytes, and the Rh proteins from erythrocytes with different Rh phenotypes contain distinct structural polymorphisms

  12. Optical nonlinearities of excitonic states in atomically thin 2D transition metal dichalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Soh, Daniel Beom Soo [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Proliferation Signatures Discovery and Exploitation Department

    2017-08-01

    We calculated the optical nonlinearities of the atomically thin monolayer transition metal dichalcogenide material (particularly MoS2), particularly for those linear and nonlinear transition processes that utilize the bound exciton states. We adopted the bound and the unbound exciton states as the basis for the Hilbert space, and derived all the dynamical density matrices that provides the induced current density, from which the nonlinear susceptibilities can be drawn order-by-order via perturbative calculations. We provide the nonlinear susceptibilities for the linear, the second-harmonic, the third-harmonic, and the kerr-type two-photon processes.

  13. Metal recycling technology and related issues in the United States, a BNFL perspective

    International Nuclear Information System (INIS)

    Bradbury, P.; Dam, S.; Starke, W.

    1995-01-01

    Radioactively contaminated metallic materials comprise a large part of the potential waste products which result from nuclear facility repair, refurbishment, and decommissioning. United States Government (Departments of Energy and Defense) facilities, U.S. nuclear power plants, and other commercial nuclear fuel cycle facilities have large inventories of radioactive scrap metal which could be decontaminated and recycled into useful radioactive and non-radioactive products. Residual radioactivity and recycling criteria is needed to avoid the high cost of disposal and the waste of natural resources. In the United Kingdom, BNFL has decommissioned the gaseous diffusion plant at Capenhurst and has recycled a large fraction of the metallic scrap into the metals market. Other structural materials have also been released as uncontaminated scrap. U.K. release criteria for residual radionuclide contamination have been applied to these operations. A variety of techniques were utilized to size reduce large components, to remove radioactivity, and to survey and release these materials. These methods and the application of release criteria has a direct relationship to methods which would be applicable in the U.S. and in other countries. This paper will describe the specific U.K. technology and experience in the decontamination, recycle, and release of scrap metal. It will also describe the U.S. environment for metal recycle, including the volumes and levels of contamination, and the current and proposed release criteria. Comparisons will be presented between the U.S. and U.K., both in technology and methodology for recycle and in regulatory criteria for residual radioactivity and material release and for ultimate decommissioning. The paper will then provide suggested approaches and criteria for U.S. recycling and decommissioning. (author)

  14. Carbon monoxide oxidation over three different states of copper: Development of a model metal oxide catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Jernigan, Glenn Geoffrey [California Univ., Berkeley, CA (United States). Dept. of Chemistry

    1994-10-01

    Carbon monoxide oxidation was performed over the three different oxidation states of copper -- metallic (Cu), copper (I) oxide (Cu2O), and copper (II) oxide (CuO) as a test case for developing a model metal oxide catalyst amenable to study by the methods of modern surface science and catalysis. Copper was deposited and oxidized on oxidized supports of aluminum, silicon, molybdenum, tantalum, stainless steel, and iron as well as on graphite. The catalytic activity was found to decrease with increasing oxidation state (Cu > Cu2O > CuO) and the activation energy increased with increasing oxidation state (Cu, 9 kcal/mol < Cu2O, 14 kcal/mol < CuO, 17 kcal/mol). Reaction mechanisms were determined for the different oxidation states. Lastly, NO reduction by CO was studied. A Cu and CuO catalyst were exposed to an equal mixture of CO and NO at 300--350 C to observe the production of N2 and CO2. At the end of each reaction, the catalyst was found to be Cu2O. There is a need to study the kinetics of this reaction over the different oxidation states of copper.

  15. Preparing, Loading and Shipping Irradiated Metals in Canisters Classified as Remote-Handled (RH) Low-Level Waste (LLW) From Oak Ridge National Laboratory (ORNL) to the Nevada Test Site (NTS)

    International Nuclear Information System (INIS)

    McClelland, B.C.; Moore, T.D.

    2006-01-01

    Irradiated metals, classified as remote-handled low-level waste generated at the Oak Ridge National Laboratory (ORNL) in Oak Ridge, Tennessee, were containerised in various sized canisters for long-term storage. The legacy waste canisters were placed in below-grade wells located at the 7827 Facility until a pathway for final disposal at the Nevada Test Site (NTS) could be identified and approved. Once the pathway was approved, WESKEM, LLC was selected by Bechtel Jacobs Company, LLC to prepare, load, and ship these canisters from ORNL to the NTS. This paper details some of the technical challenges encountered during the retrieval process and solutions implemented to ensure the waste was safely and efficiently over-packed and shipped for final disposal. The technical challenges detailed in this paper include: 1) how to best perform canister/lanyard pre-lift inspections since some canisters had not been moved in ∼10 years, so deterioration was a concern; 2) replacing or removing damaged canister lanyards; 3) correcting a mis-cut waste canister lanyard resulting in a shielded overpack lid not seating properly; 4) retrieving a stuck canister; and 5) developing a path forward after an overstrained lanyard failed causing a well shield plug to fall and come in contact with a waste canister. Several of these methods can serve as positive lessons learned for other projects encountering similar situations. (authors)

  16. Phase relations and Gibbs energies of spinel phases and solid solutions in the system Mg-Rh-O

    Energy Technology Data Exchange (ETDEWEB)

    Jacob, K.T., E-mail: katob@materials.iisc.ernet.in [Department of Materials Engineering, Indian Institute of Science, Bangalore 560 012 (India); Prusty, Debadutta [Department of Materials Engineering, Indian Institute of Science, Bangalore 560 012 (India); Kale, G.M. [Institute for Materials Research, University of Leeds, Leeds, LS2 9JT (United Kingdom)

    2012-02-05

    Highlights: Black-Right-Pointing-Pointer Refinement of phase diagram for the system Mg-Rh-O and thermodynamic data for spinel compounds MgRh{sub 2}O{sub 4} and Mg{sub 2}RhO{sub 4} is presented. Black-Right-Pointing-Pointer A solid-state electrochemical cell is used for thermodynamic measurement. Black-Right-Pointing-Pointer An advanced design of the solid-state electrochemical cell incorporating buffer electrodes is deployed to minimize polarization of working electrode. Black-Right-Pointing-Pointer Regular solution model for the spinel solid solution MgRh{sub 2}O{sub 4} - Mg{sub 2}RhO{sub 4} based on ideal mixing of cations on the octahedral site is proposed. Black-Right-Pointing-Pointer Factors responsible for stabilization of tetravalent rhodium in spinel compounds are identified. - Abstract: Pure stoichiometric MgRh{sub 2}O{sub 4} could not be prepared by solid state reaction from an equimolar mixture of MgO and Rh{sub 2}O{sub 3} in air. The spinel phase formed always contained excess of Mg and traces of Rh or Rh{sub 2}O{sub 3}. The spinel phase can be considered as a solid solution of Mg{sub 2}RhO{sub 4} in MgRh{sub 2}O{sub 4}. The compositions of the spinel solid solution in equilibrium with different phases in the ternary system Mg-Rh-O were determined by electron probe microanalysis. The oxygen potential established by the equilibrium between Rh + MgO + Mg{sub 1+x}Rh{sub 2-x}O{sub 4} was measured as a function of temperature using a solid-state cell incorporating yttria-stabilized zirconia as an electrolyte and pure oxygen at 0.1 MPa as the reference electrode. To avoid polarization of the working electrode during the measurements, an improved design of the cell with a buffer electrode was used. The standard Gibbs energies of formation of MgRh{sub 2}O{sub 4} and Mg{sub 2}RhO{sub 4} were deduced from the measured electromotive force (e.m.f.) by invoking a model for the spinel solid solution. The parameters of the model were optimized using the measured

  17. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

    International Nuclear Information System (INIS)

    Ma, Wen; Yildiz, Bilge; Herbert, F. William; Senanayake, Sanjaya D.

    2015-01-01

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr 1+ , Zr 2+ , and Zr 3+ as non-equilibrium oxidation states, in addition to Zr 4+ in the stoichiometric ZrO 2 . This finding resolves the long-debated question of whether it is possible to form any valence states between Zr 0 and Zr 4+ at the metal-oxide interface. The presence of local strong electric fields and the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr

  18. Unambiguously identifying spin states of transition-metal ions in the Earth (Invited)

    Science.gov (United States)

    Hsu, H.

    2010-12-01

    The spin state of a transition-metal ion in crystalline solids, defined by the number of unpaired electrons in the ion’s incomplete 3d shell, may vary with many factors, such as temperature, pressure, strain, and the local atomic configuration, to name a few. Such a phenomenon, known as spin-state crossover, plays a crucial role in spintronic materials. Recently, the pressure-induced spin-state crossover in iron-bearing minerals has been recognized to affect the minerals’ structural and elastic properties. However, the detailed mechanism of such crossover in iron-bearing magnesium silicate perovskite, the most abundant mineral in the Earth, remains unclear. A significant part of this confusion arises from the difficulty in reliably extracting the spin state from experiments. For the same reason, the thermally-induced spin-state crossover in lanthanum cobaltite (LaCoO3) has been controversial for more than four decades. In this talk, I will discuss how first-principle calculations can help clarifying these long-standing controversies. In addition to the total energy, equation of state, and elastic properties of each spin state, first-principle calculations also predict the electric field gradient (EFG) at the nucleus of each transition-metal ion. Our calculations showed that the nuclear EFG, a quantity that can be measured via Mössbauer or nuclear magnetic resonance (NMR) spectroscopy, depends primarily on the spin state, irrespective of the concentration or configuration of transition-metal ions. Such robustness makes EFG a unique fingerprint to identify the spin state. The combination of first-principle calculations and Mössbauer/NMR spectroscopy can therefore be a reliable and efficient approach in tackling spin-state crossover problems in the Earth. This work was primarily supported by the MRSEC Program of NSF under Awards Number DMR-0212302 and DMR-0819885, and partially supported by NSF under ATM-0428774 (V-Lab), EAR-1019853, and EAR-0810272. The

  19. Radiation heredity: unusual structural-phase states and metallic crystals properties

    International Nuclear Information System (INIS)

    Melikhov, V.D.; Skakov, M.K.

    1998-01-01

    Some experimental results allowing to judge about possibilities of unusual structural phase states formation during use irradiation and high temperature treatment of metallic crystals are considered. During study of pure (99.99 %) and especially pure (99.999 %) aluminium it was established, that after heating of preliminary irradiated samples in reactor, and non-irradiated ones up to temperatures above melting point (660 deg C), but not higher than 820 deg C, and cooling an microstructure and substructure of both irradiated and non-irradiated metals have been essentially distinguished with each other. If first of them had typically polycrystal construction, that second one was monocrystal with good developed initial substructure. Radiation effects have been preserved even in liquid metal if it was not overheated higher critical point, which is determined by phase transition from quasi-liquid state to true liquid one. During study of irradiation and postradiation treatment of structure and properties of intermetallides Fe 3 Al it was revealed, that in initially irradiated regulated alloys the radiation effect is preserving at heating of above 0.85 T melt (that essentially exceed order-disorder transition temperature) (550 deg C) in non-irradiated alloys of prolonged exposure and hardening. At that, irradiated-hardened alloy distinguishing from not hardened one by lattice parameter (on 0.1 %), by configuration of nearest surrounding of iron atoms in elementary cell, by regulating extent of different kind of atoms in lattice knocks. It was revealed, that at fluence (5·10 24 n·m 2 ) an appearance of new phases, distinguishing from matrix by component content. It was shown, that irradiation and post-radiation treatment are methods for creation unusual structural-phase states and attach to metals and alloys new properties

  20. Preparation and Thermoelectric Characteristics of ITO/PtRh:PtRh Thin Film Thermocouple.

    Science.gov (United States)

    Zhao, Xiaohui; Wang, Hongmin; Zhao, Zixiang; Zhang, Wanli; Jiang, Hongchuan

    2017-12-15

    Thin film thermocouples (TFTCs) can provide more precise in situ temperature measurement for aerospace propulsion systems without disturbance of gas flow and surface temperature distribution of the hot components. ITO/PtRh:PtRh TFTC with multilayer structure was deposited on alumina ceramic substrate by magnetron sputtering. After annealing, the TFTC was statically calibrated for multiple cycles with temperature up to 1000 °C. The TFTC with excellent stability and repeatability was realized for the negligible variation of EMF in different calibration cycles. It is believed that owing to oxygen diffusion barriers by the oxidation of top PtRh layer and Schottky barriers formed at the grain boundaries of ITO, the variation of the carrier concentration of ITO film is minimized. Meanwhile, the life time of TFTC is more than 30 h in harsh environment. This makes ITO/PtRh:PtRh TFTC a promising candidate for precise surface temperature measurement of hot components of aeroengines.

  1. Topotactic Solid-State Metal Hydride Reductions of Sr2MnO4.

    Science.gov (United States)

    Hernden, Bradley C; Lussier, Joey A; Bieringer, Mario

    2015-05-04

    We report novel details regarding the reactivity and mechanism of the solid-state topotactic reduction of Sr2MnO4 using a series of solid-state metal hydrides. Comprehensive details describing the active reducing species are reported and comments on the reductive mechanism are provided, where it is shown that more than one electron is being donated by H(-). Commonly used solid-state hydrides LiH, NaH, and CaH2, were characterized in terms of reducing power. In addition the unexplored solid-state hydrides MgH2, SrH2, and BaH2 are evaluated as potential solid-state reductants and characterized in terms of their reductive reactivities. These 6 group I and II metal hydrides show the following trend in terms of reactivity: MgH2 < SrH2 < LiH ≈ CaH2 ≈ BaH2 < NaH. The order of the reductants are discussed in terms of metal electronegativity and bond strengths. NaH and the novel use of SrH2 allowed for targeted synthesis of reduced Sr2MnO(4-x) (0 ≤ x ≤ 0.37) phases. The enhanced control during synthesis demonstrated by this soft chemistry approach has allowed for a more comprehensive and systematic evaluation of Sr2MnO(4-x) phases than previously reported phases prepared by high temperature methods. Sr2MnO3.63(1) has for the first time been shown to be monoclinic by powder X-ray diffraction and the oxidative monoclinic to tetragonal transition occurs at 450 °C.

  2. Nanoscale surface modifications of medically relevant metals: state-of-the art and perspectives

    Science.gov (United States)

    Variola, Fabio; Brunski, John B.; Orsini, Giovanna; Tambasco de Oliveira, Paulo; Wazen, Rima; Nanci, Antonio

    2011-02-01

    Evidence that nanoscale surface properties stimulate and guide various molecular and biological processes at the implant/tissue interface is fostering a new trend in designing implantable metals. Cutting-edge expertise and techniques drawn from widely separated fields, such as nanotechnology, materials engineering and biology, have been advantageously exploited to nanoengineer surfaces in ways that control and direct these processes in predictable manners. In this review, we present and discuss the state-of-the-art of nanotechnology-based approaches currently adopted to modify the surface of metals used for orthopedic and dental applications, and also briefly consider their use in the cardiovascular field. The effects of nanoengineered surfaces on various in vitro molecular and cellular events are firstly discussed. This review also provides an overview of in vivo and clinical studies with nanostructured metallic implants, and addresses the potential influence of nanotopography on biomechanical events at interfaces. Ultimately, the objective of this work is to give the readership a comprehensive picture of the current advances, future developments and challenges in the application of the infinitesimally small to biomedical surface science. We believe that an integrated understanding of the in vitro and particularly of the in vivo behavior is mandatory for the proper exploitation of nanostructured implantable metals and, indeed, of all biomaterials.

  3. Solid-state chelation of metal ions by ethylenediaminetetraacetate intercalated in a layered double hydroxide.

    Science.gov (United States)

    Tarasov, Konstantin A; O'Hare, Dermot; Isupov, Vitaly P

    2003-03-24

    The solid-state chelation of transition metal ions (Co(2+), Ni(2+), and Cu(2+)) from aqueous solutions into the lithium aluminum layered double hydroxide ([LiAl(2)(OH)(6)]Cl x 0.5H(2)O or LDH) which has been pre-intercalated with EDTA (ethylenediaminetetraacetate) ligand has been investigated. The intercalated metal cations form [M(edta)](2)(-) complexes between the LDH layers as indicated by elemental analysis, powder X-ray diffraction, and IR and UV-vis spectroscopies. If metal chloride or nitrate salts are used in the reaction with the LDH then co-intercalation of either the Cl(-) or NO(3)(-) anions is observed. In the case of metal acetate salts the cations intercalate without the accompanying anion. This can be explained by the different intercalation selectivity of the anions in relation to the LDH. In the latter case the introduction of the positive charge into LDH structure was compensated for by the release from the solid of the equivalent quantity of lithium and hydrogen cations. Time-resolved in-situ X-ray diffraction measurements have revealed that the chelation/intercalation reactions proceed very quickly. The rate of the reaction found for nickel acetate depends on concentration as approximately k[Ni(Ac)(2)](3).

  4. High-Performance Rh 2 P Electrocatalyst for Efficient Water Splitting

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Haohong; Li, Dongguo; Tang, Yan; He, Yang; Ji, Shufang; Wang, Rongyue; Lv, Haifeng; Lopes, Pietro P.; Paulikas, Arvydas P.; Li, Haoyi; Mao, Scott X.; Wang, Chongmin; Markovic, Nenad M.; Li, Jun; Stamenkovic, Vojislav R.; Li, Yadong

    2017-04-05

    Search for active, stable and cost-efficient electrocatalysts for hydrogen production via water splitting could make substantial impact to the energy technologies that do not rely on fossil fuels. Here we report the synthesis of rhodium phosphide electrocatalyst with low metal loading in the form of nanocubes (NCs) dispersed in high surface area carbon (Rh2P/C) by a facile solvo-thermal approach. The Rh2P/C NCs exhibit remarkable performance for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) compared to Rh/C and Pt/C catalysts. The atomic structure of the rhodium phosphide nanocubes was directly observed by annular dark-field scanning transmission electron microscopy (ADF-STEM), which revealed phosphorous-rich outermost atomic layer. Combined experimental and computational studies suggest that surface phosphorous plays crucial role in determining the robust catalyst properties.

  5. Melatonin Inhibits GnRH-1, GnRH-3 and GnRH Receptor Expression in the Brain of the European Sea Bass, Dicentrarchus labrax

    Directory of Open Access Journals (Sweden)

    José Antonio Muñoz-Cueto

    2013-04-01

    Full Text Available Several evidences supported the existence of melatonin effects on reproductive system in fish. In order to investigate whether melatonin is involved in the modulation of GnRH systems in the European sea bass, we have injected melatonin (0.5 µg/g body mass in male specimens. The brain mRNA transcript levels of the three GnRH forms and the five GnRH receptors present in this species were determined by real time quantitative PCR. Our findings revealed day–night variations in the brain expression of GnRH-1, GnRH-3 and several GnRH receptors (dlGnRHR-II-1c, -2a, which exhibited higher transcript levels at mid-light compared to mid-dark phase of the photocycle. Moreover, an inhibitory effect of melatonin on the nocturnal expression of GnRH-1, GnRH-3, and GnRH receptors subtypes 1c, 2a and 2b was also demonstrated. Interestingly, the inhibitory effect of melatonin affected the expression of hypophysiotrophic GnRH forms and GnRH receptors that exhibit day–night fluctuations, suggesting that exogenous melatonin reinforce physiological mechanisms already established. These interactions between melatoninergic and GnRH systems could be mediating photoperiod effects on reproductive and other rhythmic physiological events in the European sea bass.

  6. Hydrogen production in membrane reactors using Rh catalysts on binary supports

    Energy Technology Data Exchange (ETDEWEB)

    Carrara, Carlos; Roa, Alejandro; Cornaglia, Laura; Lombardo, Eduardo A. [Instituto de Investigaciones en Catalisis y Petroquimica (FIQ, UNL-CONICET), Sgo del Estero 2829-3000 Santa Fe (Argentina); Mateos-Pedrero, Cecilia; Ruiz, Patricio [Unite de Catalyse et Chimie des Materiaux Divises, Universite Catholique de Louvain, Place Croix du Sud 2/17, 1348 Louvain-la Neuve (Belgium)

    2008-04-15

    The binary supports employed in this work were prepared by different methods. The Ti(7%)-MgO and the Ti(13%)-SiO{sub 2} were obtained using the grafting technique. The La(27%)-SiO{sub 2} was obtained through the incipient wetness impregnation with La(NO{sub 3}){sub 3} of Aerosil 300, previously calcined at 1173 K. The Rh was incorporated to these supports by wet impregnation. The catalysts were first evaluated for the CH{sub 4} + CO{sub 2} reaction in a fixed-bed reactor. They were found to be active and stable as to justify their use in the membrane reactor, which was operated at 823 K achieving methane conversions up to twice as much as the equilibrium values. In all cases, the activity of the Rh solids remained constant after 120 h on stream with very little formation of carbonaceous residues only detected through LRS. The catalysts were characterized through either hydrogen or carbon monoxide chemisorption, TPR, XRD, LRS and XPS. The Rh(0.6)/La-SiO{sub 2} catalyst showed a high metal dispersion that remained constant after use and the highest capacity to restore the CH{sub 4} + CO{sub 2} equilibrium when H{sub 2} was permeated out of the reaction section. The Rh(0.8)/Ti-MgO showed the highest Rh/oxide interaction associated with the lowest capacity to restore the reaction equilibrium. The Rh(0.8)/Ti-SiO{sub 2} exhibited an intermediate activity due in part to the partial segregation of the TiO{sub 2} upon calcinations and the subsequent appearance of small Rh crystallites in the used catalysts. (author)

  7. High activity of cubic PtRh alloys supported on graphene towards ethanol electrooxidation.

    Science.gov (United States)

    Rao, Lu; Jiang, Yan-Xia; Zhang, Bin-Wei; Cai, Yuan-Rong; Sun, Shi-Gang

    2014-07-21

    Cubic PtRh alloys supported on graphene (PtxRhy/GN) with different atomic ratio of Pt and Rh were directly synthesized for the first time using the modified polyol method with Br(-) for the shape-directing agents. The process didn't use surface-capping agents such as PVP that easily occupy the active sites of electrocatalysts and are difficult to remove. Graphene is the key factor for cubic shape besides Br(-) and keeping catalysts high-dispersed. The X-ray diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscope (TEM) were used to characterize the structure and morphology of these electrocatalysts. The results showed that they were composed of homogeneous cubic PtRh alloys. Traditional electrochemical methods, such as cyclic voltammetry and chronoamperometry, were used to investigate the electrocatalytic properties of PtxRhy/GN towards ethanol electrooxidation. It can be seen that PtxRhy/GN with all atomic ratios exhibited high catalytic activity, and the most active one has a composition with Pt : Rh = 9 : 1 atomic ratio. Electrochemical in situ FTIR spectroscopy was used to evaluate the cleavage of C-C bond in ethanol at room temperature in acidic solutions, the results illustrated that Rh in an alloy can promote the split of C-C bond in ethanol, and the alloy catalyst with atomic ratio Pt : Rh = 1 : 1 showed obviously better performance for the C-C bond breaking in ethanol and higher selectivity for the enhanced activity of ethanol complete oxidation to CO2 than alloys with other ratios of Pt and Rh. The investigation indicates that high activity of PtxRhy/GN electrocatalyst towards ethanol oxidation is due to the specific shape of alloys and the synergistic effect of two metal elements as well as graphene support.

  8. Alternative synthetic route for the heterometallic CO-releasing [Sb@Rh12(CO27]3− icosahedral carbonyl cluster and synthesis of its new unsaturated [Sb@Rh12(CO24]4− and dimeric [{Sb@Rh12Sb(CO25}2Rh(CO2PPh3]7− derivatives

    Directory of Open Access Journals (Sweden)

    Cristina Femoni

    2016-10-01

    Full Text Available The hetero-metallic [Sb@Rh12(CO27]3− cluster has been known as for over three decades thanks to Vidal and co-workers, and represents the first example of an E-centered (E=heteroatom icosahedral rhodium carbonyl cluster. However, its synthesis required high temperature (140–160 °C and elevated CO pressure (400 atm. Applying the redox condensation method for cluster preparation, we herein report a new synthetic, high-yield route for preparing [Sb@Rh12(CO27]3− under much milder conditions of temperature and pressure. Notably, when the same synthesis was carried out under N2 instead of CO atmosphere, the new isostructural but unsaturated derivative [Sb@Rh12(CO24]4− was obtained, for which we report the full X-ray structural characterization. This species represents one of the few examples of an icosahedral cluster disobeying the electron-counting Wade-Mingos rules, possessing less than the expected 170 cluster valence electrons (CVEs. Judging from IR monitoring, the two species can be obtained one from the other by switching between N2 and CO atmosphere, making [Sb@Rh12(CO27]3− a spontaneous CO-releasing molecule. Finally, the study of the chemical reactivity of [Sb@Rh12(CO27]3− with PPh3 allowed us to obtain the new [{Sb@Rh12Sb(CO25}2Rh(CO2PPh3]7− dimeric compound, for which we herein report the full X-ray structural and 31P NMR analyses.

  9. The first example of intensive luminescence of LMCT state based on metal complexes in solution

    International Nuclear Information System (INIS)

    Lukova, G.V.; Vasil'ev, V.P.; Smirnov, V.A.; Huhn, W.

    2007-01-01

    A bridge complex rac-C 6 H 10 (IndH 4 ) 2 ZrC 2 , featuring a unique long-living luminescence in liquid solutions at 20 deg C, has been prepared for the first time by catalytic hydrogenation of bis-indinyl complex C 6 H 10 (Ind) 2 Zr 2 Cl 2 . It has been identified that quantum yields of luminescence of the complex solutions at room temperature are the greatest ones for the known compounds possessing emission states of charge transfer from ligand to metal. Linear correlations of quantum yield of metal complex luminescence in a solution with steric features of the solvent molecules have been detected for the first time [ru

  10. Relaxation and final-state structure in XPS of atoms, molecules, and metals

    International Nuclear Information System (INIS)

    Shirley, D.A.; Martin, R.L.; McFeely, F.R.; Kowalczyk, S.P.; Ley, L.

    1975-03-01

    Photoemission from a many-electron system is a many-electron process, even though the transition operator may affect only one electron directly. Relaxation and ''shake-up'' structure are related by a sum rule. When one is present, the other must be also. Shake-up structure is shown to be accurately predictable in atomic neon and molecular HF if the CI calculations are done carefully. In metals the sum rule also applies but final-state effects usually appear as relaxation energy, which is large even for valence electrons. Finally, in rare-earth metals discrete shake-up structure is observable in the 4p region. (7 figs, 30 refs) (auth)

  11. State equations and stability of shock wave fronts in homogeneous and heterogeneous metallic medium

    International Nuclear Information System (INIS)

    Romain, Jean-Pierre

    1977-01-01

    This research thesis in physical sciences reports a theoretical and experimental study of some mechanical and thermodynamic aspects related to a shock wave propagation in homogeneous and heterogeneous metallic media: state equations, stability and instability of shock wave fronts. In the first part, the author reports the study of the Grueneisen coefficient for some metallic elements with known static and dynamic compression properties. The second part reports the experimental investigation of dynamic compressibility of some materials (lamellar Al-Cu compounds). The front shock wave propagation has been visualised, and experimental Hugoniot curves are compared with those deduced from a developed numeric model and other models. The bismuth Hugoniot curve is also determined, and the author compares the existence and nature of phase transitions obtained by static and dynamic compression

  12. Rate sensitivity of mixed mode interface toughness of dissimilar metallic materials: Studied at steady state

    DEFF Research Database (Denmark)

    Nielsen, Kim Lau; Niordson, Christian Frithiof

    2012-01-01

    the SSV model [Suo, Z., Shih, C., Varias, A., 1993. A theory for cleavage cracking in the presence of plastic flow. Acta Metall. Mater. 41, 1551–1557] embedded in a steady state finite element formulation, here assuming plane strain conditions and small-scale yielding. Results are presented for a wide......Crack propagation in metallic materials produces plastic dissipation when material in front for the crack tip enters the active plastic zone traveling with the tip, and later ends up being part of the residual plastic strain wake. Thus, the macroscopic work required to advance the crack...... is typically much larger than the work needed in the near tip fracture process. For rate sensitive materials, the amount of plastic dissipation typically depends on the rate at which the material is deformed. A dependency on the crack velocity should therefore be expected. The objective of this paper...

  13. Titanium recycling in the United States in 2004, chap. Y of Sibley, S.F., ed., Flow studies for recycling metal commodities in the United States

    Science.gov (United States)

    Goonan, Thomas G.

    2010-01-01

    As one of a series of reports that describe the recycling of metal commodities in the United States, this report discusses the titanium metal fraction of the titanium economy, which generates and uses titanium metal scrap in its operations. Data for 2004 were selected to demonstrate the titanium flows associated with these operations. This report includes a description of titanium metal supply and demand in the United States to illustrate the extent of titanium recycling and to identify recycling trends. In 2004, U.S. apparent consumption of titanium metal (contained in various titanium-bearing products) was 45,000 metric tons (t) of titanium, which was distributed as follows: 25,000 t of titanium recovered as new scrap, 9,000 t of titanium as titanium metal and titanium alloy products delivered to the U.S. titanium products reservoir, 7,000 t of titanium consumed by steelmaking and other industries, and 4,000 t of titanium contained in unwrought and wrought products exported. Titanium recycling is concentrated within the titanium metals sector of the total titanium market. The titanium market is otherwise dominated by pigment (titanium oxide) products, which generate dissipative losses instead of recyclable scrap. In 2004, scrap (predominantly new scrap) was the source of roughly 54 percent of the titanium metal content of U.S.-produced titanium metal products.

  14. Generator separation of 103Ru//sup 103m/Rh

    International Nuclear Information System (INIS)

    Epperson, C.E.

    1975-01-01

    A generator for producing carrier-free Rh-103m was developed using a liquid extraction technique. Initially, Ru-103 chloride was converted to the sulfate by moderate fuming for 80 minutes in 1:1 sulfuric acid. The Ru-103 was then brought to its highest oxidation state with 0.2 N ceric sulfate. Ru-103 tetroxide was removed from an aqueous equilibrium solution of Ru-103/Rh-103m by three one-minute extractions into CCl 4 . The Rh-103m daughter was not extracted under these conditions. Yields of Rh-103m exceeded 90 percent theoretical. The Ru-103 removed by CCl 4 could be recovered by two hours of back-extraction into 2 M sulfuric acid containing 5 mg of sodium sulfite. A cyclic extraction system was made possible by employing sulfate media. Equilibrium Ru-103 could be repeatedly extracted and recovered, thereby producing a ''generator'' system for the production of Rh-103m. Ru-103 chloride can be converted to the sulfate and then stored for at least 38 days prior to extraction. By performing the fuming step whenever convenient, the time required to perform an extraction separation was reduced to 15 minutes. Prior treatment of glassware surfaces with dilute sulfuric acid prevented Ru-103 glass adsorption losses and made glassware much easier to decontaminate. Off-the-shelf reagent-grade CCl 4 could be used without further purification. Efforts to separate Rh-103m from Ru-103 by chromatography techniques were unsuccessful

  15. Excited-state formation as H+ and He+ ions scatter from metal surfaces

    International Nuclear Information System (INIS)

    Baird, W.E.; Zivitz, M.; Thomas, E.W.

    1975-01-01

    Impact of 10-to30KeV H + or He + ions on polycrystalline metal surfaces causes some projectiles to be backscattered in a neutral excited state. These projectiles subsequently radiatively decay, emitting Doppler-broadened spectral lines. By analysis of the spectral shape of these lines, we are able to determine the probability of radiationless deexcitation of the excited backscattered atoms. Quantitative measurements of spectral intensity indicate that less than 1% of all projectiles are backscattered in an excited state. The relative variation of total spectral line intensity with angle of projectile incidence and with projectile primary energy has been successfully predicted using a model which assumes that the probability for excited-state formation is independent of the scattered projectile's energy and direction. The variation in total spectral line intensity with target atomic number is predicted, and the sputtering and excitation of Al under He + impact is briefly examined

  16. Analysis of residual stress state in sheet metal parts processed by single point incremental forming

    Science.gov (United States)

    Maaß, F.; Gies, S.; Dobecki, M.; Brömmelhoff, K.; Tekkaya, A. E.; Reimers, W.

    2018-05-01

    The mechanical properties of formed metal components are highly affected by the prevailing residual stress state. A selective induction of residual compressive stresses in the component, can improve the product properties such as the fatigue strength. By means of single point incremental forming (SPIF), the residual stress state can be influenced by adjusting the process parameters during the manufacturing process. To achieve a fundamental understanding of the residual stress formation caused by the SPIF process, a valid numerical process model is essential. Within the scope of this paper the significance of kinematic hardening effects on the determined residual stress state is presented based on numerical simulations. The effect of the unclamping step after the manufacturing process is also analyzed. An average deviation of the residual stress amplitudes in the clamped and unclamped condition of 18 % reveals, that the unclamping step needs to be considered to reach a high numerical prediction quality.

  17. Spin-polarized spin-orbit-split quantum-well states in a metal film

    Energy Technology Data Exchange (ETDEWEB)

    Varykhalov, Andrei; Sanchez-Barriga, Jaime; Gudat, Wolfgang; Eberhardt, Wolfgang; Rader, Oliver [BESSY Berlin (Germany); Shikin, Alexander M. [St. Petersburg State University (Russian Federation)

    2008-07-01

    Elements with high atomic number Z lead to a large spin-orbit coupling. Such materials can be used to create spin-polarized electronic states without the presence of a ferromagnet or an external magnetic field if the solid exhibits an inversion asymmetry. We create large spin-orbit splittings using a tungsten crystal as substrate and break the structural inversion symmetry through deposition of a gold quantum film. Using spin- and angle-resolved photoelectron spectroscopy, it is demonstrated that quantum-well states forming in the gold film are spin-orbit split and spin polarized up to a thickness of at least 10 atomic layers. This is a considerable progress as compared to the current literature which reports spin-orbit split states at metal surfaces which are either pure or covered by at most a monoatomic layer of adsorbates.

  18. Status of liquid metal reactor development in the United States of America

    International Nuclear Information System (INIS)

    Griffith, J.D.; Horton, K.E.

    1991-01-01

    An existing network of government and industry research facilities and engineering test centers in the United States is currently providing test capabilities and the technical expertise required to conduct an aggressive advanced reactor development program. Subsequent to the directive to shut down the Fast Flux Test Facility in early 1990, a variety of activities were undertaken to provide support for continued operation. The United States has made substantial progress in achieving ALMR program objectives. The metal fuel cycle is designed to recycle and burn its own actiniums, and has the potential to be a very effective burner of actiniums generated in the LWRs. The current emphasis in the IFR Program is on the comprehensive development of the IFR (Integral Fast Reactor) technology, to be followed by a period of technology demonstration which would verify the economic feasibility of the concept. The United States has been active in international cooperative activities in the fast reactor sector since 1969. (author). 11 figs, 1 tab

  19. Optically induced bistable states in metal/tunnel-oxide/semiconductor /MTOS/ junctions

    Science.gov (United States)

    Lai, S. K.; Dressendorfer, P. V.; Ma, T. P.; Barker, R. C.

    1981-01-01

    A new switching phenomenon in metal-oxide semiconductor tunnel junction has been discovered. With a sufficiently large negative bias applied to the electrode, incident visible light of intensity greater than about 1 microW/sq cm causes the reverse-biased junction to switch from a low-current to a high-current state. It is believed that hot-electron-induced impact ionization provides the positive feedback necessary for switching, and causes the junction to remain in its high-current state after the optical excitation is removed. The junction may be switched back to the low-current state electrically. The basic junction characteristics have been measured, and a simple model for the switching phenomenon has been developed.

  20. High Charge State Ions Extracted from Metal Plasmas in the Transition Regime from Vacuum Spark to High Current Vacuum Arc

    International Nuclear Information System (INIS)

    Yushkov, Georgy Yu.; Anders, A.

    2008-01-01

    Metal ions were extracted from pulsed discharge plasmas operating in the transition region between vacuum spark (transient high voltage of kV) and vacuum arc (arc voltage ∼ 20 V). At a peak current of about 4 kA, and with a pulse duration of 8 (micro)s, we observed mean ion charges states of about 6 for several cathode materials. In the case of platinum, the highest average charge state was 6.74 with ions of charge states as high as 10 present. For gold we found traces of charge state 11, with the highest average charge state of 7.25. At currents higher than 5 kA, non-metallic contaminations started to dominate the ion beam, preventing further enhancement of the metal charge states

  1. Stress evaluation of metallic material under steady state based on nonlinear critically refracted longitudinal wave

    Science.gov (United States)

    Mao, Hanling; Zhang, Yuhua; Mao, Hanying; Li, Xinxin; Huang, Zhenfeng

    2018-06-01

    This paper presents the study of applying the nonlinear ultrasonic wave to evaluate the stress state of metallic materials under steady state. The pre-stress loading method is applied to guarantee components with steady stress. Three kinds of nonlinear ultrasonic experiments based on critically refracted longitudinal wave are conducted on components which the critically refracted longitudinal wave propagates along x, x1 and x2 direction. Experimental results indicate the second and third order relative nonlinear coefficients monotonically increase with stress, and the normalized relationship is consistent with simplified dislocation models, which indicates the experimental result is logical. The combined ultrasonic nonlinear parameter is proposed, and three stress evaluation models at x direction are established based on three ultrasonic nonlinear parameters, which the estimation error is below 5%. Then two stress detection models at x1 and x2 direction are built based on combined ultrasonic nonlinear parameter, the stress synthesis method is applied to calculate the magnitude and direction of principal stress. The results show the prediction error is within 5% and the angle deviation is within 1.5°. Therefore the nonlinear ultrasonic technique based on LCR wave could be applied to nondestructively evaluate the stress of metallic materials under steady state which the magnitude and direction are included.

  2. A perturbed Lennard-Jones chain equation of state for liquid metals

    Energy Technology Data Exchange (ETDEWEB)

    Mousazadeh, M H; Marageh, M Ghanadi [AEOI, JIH Research Laboratory, 11365/8486, Tehran (Iran, Islamic Republic of)

    2006-05-24

    The perturbed Lennard-Jones chain (PLJC) equation of state is formulated based on first-order variational perturbation theory. The model uses two parameters for a monatomic system, segment size, {sigma}, and segment energy, {epsilon}/k. In this work, we employed the PLJC equation to calculate the liquid density of 26 metals, including alkali and alkali earth metals, iron, cobalt, nickel, copper, silver, gold, zinc, cadmium, mercury, aluminium, gallium, indium, thallium, tin, lead, antimony, and bismuth, for which accurate experimental data exist in the literature. The calculations cover a broad range of temperatures ranging from the melting point to close to the critical point and pressures ranging from the vapour-pressure curve up to pressures as high as 2000 bar. The average absolute deviation in the liquid density predicted by the PLJC equation of state in the saturation line compared with experimental data is 1.26%. Also, using the normal melting temperature and liquid density at melting point (T{sub m}, {rho}{sub m}) as input data for the estimation of the equation of state parameters provides a good correlation of liquid density at saturated and compressed pressures.

  3. Absolute calibration of the Rh-103 (n, n') Rh-103m reaction rate

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, W.H.; Murphy, M.F.; March, M.R. [Reactor Physics Division, Atomic Energy Establishment, Winfrith, Dorchester, Dorset (United Kingdom)

    1979-05-15

    The uncertainties in determining the absolute values of the Rh-103 (n, n') Rh-103m reaction rate (which is widely used as a neutron damage flux monitor) have been reduced to {approx}{+-}5%. This has been achieved with the use of a calibrated source of Pd-103-Rh-103m activity supplied by the I.A.E.A. Agreement to within 3% between measured and calculated values of the reaction rate (normalised to the U-238 fission rate) has been achieved. (author)

  4. Improvement of castable refractories for RH snorkel; RH shinshitsukanyo futeikeizai no kaizen

    Energy Technology Data Exchange (ETDEWEB)

    Nishi, K.; Obana, T.; Fijii, T.; Shimizu, I. [Harima Ceramics Corp., Hyogo (Japan)

    1999-11-01

    Relating to corrosion of RH submerged nozzle, resistance against iron oxide of monolithic refractories was examined. Corrosion and seepage of refractories were measured by rotating corrosion, refractories include alumina-spinel castable, which is applied to RH under tank, and alumina-magnesia castable, which is generally used for RH, submerged nozzle. Alumina-spinel castable is superior in resistance against iron oxide than alumina-magnesia castable, and the resistance decreased with increase of stainless fiber addition to castable. Alumina-spinel castable without stainless fiber was suitable for bottom end of the dipping pipe. (NEDO)

  5. Absolute calibration of the Rh-103 (n, n') Rh-103m reaction rate

    International Nuclear Information System (INIS)

    Taylor, W.H.; Murphy, M.F.; March, M.R.

    1979-05-01

    The uncertainties in determining the absolute values of the Rh-103 (n, n') Rh-103m reaction rate (which is widely used as a neutron damage flux monitor) have been reduced to ∼±5%. This has been achieved with the use of a calibrated source of Pd-103-Rh-103m activity supplied by the I.A.E.A. Agreement to within 3% between measured and calculated values of the reaction rate (normalised to the U-238 fission rate) has been achieved. (author)

  6. Structure of Cu-Ti brazing filler metal in amorphous and crystalline states

    Energy Technology Data Exchange (ETDEWEB)

    Maksymova, S; Khorunov, V [Paton Electric Welding Institute, NASU, 11 Bozhenko Str., Kyiv, 03680 (Ukraine); Zelinskaya, G [G.V. Kurdyumov Institute of Metal Physics, NASU, Kyiv, 03142 (Ukraine)], E-mail: maksymova@paton.kiev.ua

    2008-02-15

    Structure, chemical homogeneity and phase composition of rapidly quenched ribbons of brazing filler metal Ti{sub 57}Cu{sub 43} were investigated. The ribbons were found to be amorphous. The alloy components are uniformly distributed along the thickness of the strip. High-temperature differential thermal analysis was used to determine temperature ranges of the ribbons crystallization. X-ray diffraction analysis was performed to study phase composition of the rapidly quenched ribbons in the initial state and after their isothermal annealing. Two crystalline phases - {gamma}-CuTi and CuTi{sub 3} being identified in the latter case.

  7. Determination of electronic states in crystalline semiconductors and metals by angle-resolved photoemission

    International Nuclear Information System (INIS)

    Mills, K.A.

    1979-08-01

    An important part of the theoretical description of the solid state is band structure, which relies on the existence of dispersion relations connecting the electronic energy and wavevector in materials with translational symmetry. These relations determine the electronic behavior of such materials. The elaboration of accurate band structures, therefore, is of considerable fundamental and practical importance. Angle-resolved photoemission (ARP) spectroscopy provides the only presently available method for the detailed experimental investigation of band structures. This work is concerned with its application to both semiconducting and metallic single crystals

  8. Status of liquid metal reactor development in the United States of America

    International Nuclear Information System (INIS)

    Griffith, J.D.; Horton, K.E.

    1990-01-01

    The United States have made substantial progress in achieving Advanced Liquid Metal Reactor (ALMR) program objectives. A decision was made in 1988 to select the General Electric ALMR concept known as PRISM (Power Reactor Innovative Safe Module) for advanced conceptual design. A 3-year contract was awarded to General Electric in January of last year for concentrated trade-off studies and advanced design development. The strategy is to integrate those advancements that best meet program objectives into a national ALMR system concept. (author). 10 figs, 1 tab

  9. Plasticity of ductile metallic glasses: a self-organized critical state.

    Science.gov (United States)

    Sun, B A; Yu, H B; Jiao, W; Bai, H Y; Zhao, D Q; Wang, W H

    2010-07-16

    We report a close correlation between the dynamic behavior of serrated flow and the plasticity in metallic glasses (MGs) and show that the plastic deformation of ductile MGs can evolve into a self-organized critical state characterized by the power-law distribution of shear avalanches. A stick-slip model considering the interaction of multiple shear bands is presented to reveal complex scale-free intermittent shear-band motions in ductile MGs and quantitatively reproduce the experimental observations. Our studies have implications for understanding the precise plastic deformation mechanism of MGs.

  10. Status of development and licensing support for advanced liquid metal reactors in the United States

    Energy Technology Data Exchange (ETDEWEB)

    Pedersen, D R [Argonne National Laboratory, Argonne, IL (United States); Gyorey, G [General Electric, San Jose, CA (United States)

    1991-07-01

    The cornerstones of the United States Advanced Liquid Metal Cooled Reactor (ALMR) program sponsored by the Department of Energy are: the ALMR plant design program at General Electric based on the PRISM (Power Reactor Innovative Small Module) concept, and the Integral Fast Reactor program (IFR) at Argonne National Laboratory (ANL). The goal of the U.S. program is to produce a standard, commercial ALMR, including the associated fuel cycle. The paper addresses the status of the IFR program, the ALMR program and the interaction of the ALMR program with the regulatory environment. (author)

  11. Status of development and licensing support for advanced liquid metal reactors in the United States

    International Nuclear Information System (INIS)

    Pedersen, D.R.; Gyorey, G.

    1991-01-01

    The cornerstones of the United States Advanced Liquid Metal Cooled Reactor (ALMR) program sponsored by the Department of Energy are: the ALMR plant design program at General Electric based on the PRISM (Power Reactor Innovative Small Module) concept, and the Integral Fast Reactor program (IFR) at Argonne National Laboratory (ANL). The goal of the US program is to produce a standard, commercial ALMR, including the associated fuel cycle. The paper addresses the status of the IFR program, the ALMR program and the interaction of the ALMR program with the regulatory environment

  12. Status of development and licensing support for advanced liquid metal reactors in the United States

    International Nuclear Information System (INIS)

    Pedersen, D.R.; Gyorey, G.

    1991-01-01

    The cornerstones of the United States Advanced Liquid Metal Cooled Reactor (ALMR) program sponsored by the Department of Energy are: the ALMR plant design program at General Electric based on the PRISM (Power Reactor Innovative Small Module) concept, and the Integral Fast Reactor program (IFR) at Argonne National Laboratory (ANL). The goal of the U.S. program is to produce a standard, commercial ALMR, including the associated fuel cycle. The paper addresses the status of the IFR program, the ALMR program and the interaction of the ALMR program with the regulatory environment. (author)

  13. Adsorption of volatile metals on metal surfaces and the possibilities of its application in nuclear chemistry

    International Nuclear Information System (INIS)

    Eichler, B.; Huebener, S.; Rossbach, H.

    1985-08-01

    Using an empiric model partial molar enthalpies of adsorption of the rare earth metals at zero coverage have been calculated for the adsorbent metals Ti, Fe, Ni, Cu, Zr, Nb, Mo, Rh, Pd, Ag, Ta, W, Re, Ir, Pt, Au as well as Al, Si, Zn, Ge, Cd, and Pb. The electron densities at the boundary of the Wigner-Seitz cells in the rare earth metals, necessary for the calculations, have been derived from the crystal entropies. In some cases the magnetic entropy was considered too. The calculated enthalpies of adsorption are compared with experimental data taken from the literature. The valence state of adsorbed europium and ytterbium is discussed in relation to the nature of the adsorbent metal. (author)

  14. Transient transition from free carrier metallic state to exciton insulating state in GaAs by ultrafast photoexcitation

    Science.gov (United States)

    Nie, X. C.; Song, Hai-Ying; Zhang, Xiu; Gu, Peng; Liu, Shi-Bing; Li, Fan; Meng, Jian-Qiao; Duan, Yu-Xia; Liu, H. Y.

    2018-03-01

    We present systematic studies of the transient dynamics of GaAs by ultrafast time-resolved reflectivity. In photoexcited non-equilibrium states, we found a sign reverse in reflectivity change ΔR/R, from positive around room temperature to negative at cryogenic temperatures. The former corresponds to a free carrier metallic state, while the latter is attributed to an exciton insulating state, in which the transient electronic properties is mostly dominated by excitons, resulting in a transient metal–insulator transition (MIT). Two transition temperatures (T 1 and T 2) are well identified by analyzing the intensity change of the transient reflectivity. We found that photoexcited MIT starts emerging at T 1 as high as ∼ 230 K, in terms of a dip feature at 0.4 ps, and becomes stabilized below T 2 that is up to ∼ 180 K, associated with a negative constant after 40 ps. Our results address a phase diagram that provides a framework for the inducing of MIT through temperature and photoexcitation, and may shed light on the understanding of light-semiconductor interaction and exciton physics.

  15. Noninvasive fetal RhD genotyping

    DEFF Research Database (Denmark)

    Clausen, Frederik Banch; Damkjær, Merete Berthu; Dziegiel, Morten Hanefeld

    2014-01-01

    Immunization against RhD is the major cause of hemolytic disease of the fetus and newborn (HDFN), which causes fetal or neonatal death. The introduction of postnatal immune prophylaxis in the 1960s drastically reduced immunization incidents in pregnant, D-negative women. In several countries, ant...

  16. Preparation of a 102Rh tracer

    International Nuclear Information System (INIS)

    Gorski, B.; Heinig, W.

    1986-01-01

    Electronic emission detectors used in reactors for the control of the neutron flux density contain rhodium as an emitter material. By dissolving the emitter material in a mixture of hydrobromic acid and bromine it is possible to get 102 Rh labelled solutions of the spent detectors. The preparation and purification of the solutions are described. (author)

  17. Atomic and molecular adsorption on Rh(111)

    DEFF Research Database (Denmark)

    Mavrikakis, Manos; Rempel, J.; Greeley, Jeffrey Philip

    2002-01-01

    A systematic study of the chemisorption of both atomic (H, O, N, S, C), molecular (N-2, CO, NO), and radical (CH3, OH) species on Rh(111) has been performed. Self-consistent, periodic, density functional theory (DFT-GGA) calculations, using both PW91 and RPBE functionals, have been employed to de...

  18. Metal-induced gap states in ferroelectric capacitors and its relationship with complex band structures

    Science.gov (United States)

    Junquera, Javier; Aguado-Puente, Pablo

    2013-03-01

    At metal-isulator interfaces, the metallic wave functions with an energy eigenvalue within the band gap decay exponentially inside the dielectric (metal-induced gap states, MIGS). These MIGS can be actually regarded as Bloch functions with an associated complex wave vector. Usually only real values of the wave vectors are discussed in text books, since infinite periodicity is assumed and, in that situation, wave functions growing exponentially in any direction would not be physically valid. However, localized wave functions with an exponential decay are indeed perfectly valid solution of the Schrodinger equation in the presence of defects, surfaces or interfaces. For this reason, properties of MIGS have been typically discussed in terms of the complex band structure of bulk materials. The probable dependence on the interface particulars has been rarely taken into account explicitly due to the difficulties to include them into the model or simulations. We aim to characterize from first-principles simulations the MIGS in realistic ferroelectric capacitors and their connection with the complex band structure of the ferroelectric material. We emphasize the influence of the real interface beyond the complex band structure of bulk materials. Financial support provided by MICINN Grant FIS2009-12721-C04-02, and by the European Union Grant No. CP-FP 228989-2 ``OxIDes''. Computer resources provided by the RES.

  19. Characterization of some metal pollutants in the topsoil of Shukari irrigation farm area, Jere, Borno State

    International Nuclear Information System (INIS)

    Bukar, P.H.; Egwuonwu, G.N.

    2011-01-01

    A study of the abundance, distribution and accumulation of some metal pollutants in irrigation farm area of Shukari, Jere Local Government area of Borno State was carried out. XRF instrument was used to determine the presence and concentration of the metals in the top soil samples (0-25 cm) to ascertain their level of toxicity and distribution in the area. Results show that Ni(0.93 -8.07 ppm), Zn(0.06 -8.57 ppm), Mn(0.05-0.21 ppm), Fe(0.0652-0.2866 ppm), Ba(0.0157-0.0411 ppm), Ce(0.0059-0.0118 ppm) Rb(0.0070-0.0165 ppm), V(0.0031-0.0142 ppm) Ti(0.0153-0.0256 ppm), P(0.0064-0.0077 ppm), La(0.0006-0.0007 ppm), Sr(0.0226-0.0230 ppm), Y(0.0033-0.0046 ppm), Mo(0.0002-0.00024 ppm) and Ta(0.000093-0.00014 ppm) concentrations in the soil. Detailed discrepancy analysis of the results with reference to WHO and FEPA standard for soil pollution shows that the accumulation and distribution of the toxic metals in the area were predominantly below soil maximum permissible limits for agricultural activities. Hence, the implications of the results to the environment, irrigation farming activities and public health in the area were highlighted.

  20. Thermochemical Properties of Group IVB and VB Transition Metal Alloys with Platinum Group Metals: Acid - Stabilization.

    Science.gov (United States)

    Cima, Michael John

    Solid-state galvanic cell measurements and oxide equilibration experiments are used to derive thermochemical quantities for a variety of acid-base stabilized alloys such as Nb-Pd, Nb-Rh, Ti-Pd, and Ti-Rh. The experiments have effectively resulted in the titration of palladium by niobium metal. The excess partial molar Gibbs energy of niobium at infinite dilution was determined to be -62 kcal/mole at 1000^circ C and the Gibbs energy of formation of {rm NbPd}_{3.55} is -42 kcal/mole. These results and those for the other systems are used to assess the importance of crystal field effects in the context of the generalized Lewis acid-base theory.

  1. Unconventional superconductivity in PuRhGa5: Ga NMR/NQR study

    International Nuclear Information System (INIS)

    Sakai, H.; Tokunaga, Y.; Fujimoto, T.; Kambe, S.; Walstedt, R.E.; Yasuoka, H.; Aoki, D.; Homma, Y.; Yamamoto, E.; Nakamura, A.; Shiokawa, Y.; Nakajima, K.; Arai, Y.; Matsuda, T.D.; Haga, Y.; Onuki, Y.

    2006-01-01

    69,71 Ga NMR/NQR studies have been performed on a single crystal of the transuranium superconductor PuRhGa 5 with T c ∼9K. The spin-lattice relaxation rate 1/T 1 reveals that PuRhGa 5 is an unconventional superconductor having an anisotropic superconducting gap. Moreover, Korringa behavior (1/T 1 T=const.) is observed in the normal state below ∼30K. This result suggests that the superconductivity sets in after the formation of a Fermi liquid state in this compound

  2. Cooling effect in emissions of 103mRh excited by bremsstrahlung

    International Nuclear Information System (INIS)

    Cheng, Y; Xia, B; Chen, C P

    2009-01-01

    Nonlinear characteristic emissions of Kα, Kβ and γ with a significant triplet splitting at room temperature are observed from the long-lived nuclear state of 103m Rh excited by bremsstrahlung irradiation. A pronounced phase-transition-like narrowing of the emission profiles occurs immediately after the sample is cooled down to 77 K. The room temperature profiles reappear again abruptly and almost reversibly as the temperature drifts freely back to approximately the ice point after the filling with liquid nitrogen is stopped. These emission properties at 300 K and at low temperature may indicate that the 103m Rh nuclei are in collective states.

  3. Monetary Valuation of Health Risks of Heavy Metals: State-of-the-art and some gaps

    Directory of Open Access Journals (Sweden)

    Ščasný M.

    2013-04-01

    Full Text Available Health Impact Assessment (HIA is a fundamental part of modern decision-making process, in particular policies that affect releases, exposures or doses of pollutants including heavy metals. Traditionally, HIA focus is on risk assessment and securing safe levels of pollution exposure or dose. Only recently HIA has extended its focus to include evaluation of health effects in monetary terms that allows for a comprehensive Cost-Benefit Analysis, a widely used quantitative decision support tool to assess desirability of policies and projects based on economic rationale. The aim of this contribution is to review the state-of-the-art in valuation of health impacts related to heavy metals and discuss some gaps faced here. We start by introducing concept of risk in valuation literature, related mortality denominator, Value of Statistical Life (VSL and difficulties in deriving values for chronic health conditions. We then overview valuation of various health outcomes in five broad impact categories – carcinogenicity, dose toxicity, sensitization, effects on fertility and developmental toxicity and discuss difficulties in translating risk assessment and toxicological research findings of human health effects of heavy metal exposure/dose to changes in welfare in such a way that is comprehensible for general population. We briefly examine and discuss numerous issues and gaps in establishing such links between exposure and welfare impacts in the context of a study commissioned by European Chemicals Agency. The study’s goal is to deliver EU-wide values of willingness to pay for avoiding adverse health outcomes due to exposure to chemicals. We emphasize the necessity of such discussion among experts from different areas for the results to be useful for decision-making related to regulation of (not only heavy metals releases to the environment.

  4. Structure and magnetic properties of Sm{sub 2}Rh{sub 3}Sn{sub 5}. An intergrowth of TiNiSi- and NdRh{sub 2}Sn{sub 4}-related slabs

    Energy Technology Data Exchange (ETDEWEB)

    Heying, Birgit; Koesters, Jutta; Hoffmann, Rolf-Dieter; Heletta, Lukas; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2017-07-01

    The stannide Sm{sub 2}Rh{sub 3}Sn{sub 5} was obtained by arc-melting of the elements and subsequent annealing at 1070 K in a silica tube. Sm{sub 2}Rh{sub 3}Sn{sub 5} crystallizes with the orthorhombic Y{sub 2}Rh{sub 3}Sn{sub 5} type structure, space group Cmc2{sub 1}, Z=4: a=444.46(8), b=2636.2(4), c=718.3(1) pm, wR=0.0711, 1761 F{sup 2} values and 61 variables. The three crystallographically independent rhodium atoms show tricapped trigonal prismatic coordination by samarium and tin atoms. Sm{sub 2}Rh{sub 3}Sn{sub 5} can be considered as a simple 1:1 intergrowth structure of TiNiSi- and NdRh{sub 2}Sn{sub 4}-related slabs of compositions SmRhSn and SmRh{sub 2}Sn{sub 4}. Temperature dependent magnetic susceptibility data revealed van Vleck type behavior caused by the proximity of the exited {sup 6}H{sub 7/2} state to the {sup 6}H{sub 5/2} ground state of Sm{sup 3+}, and an antiferromagnetic ordering occurs at T{sub N}=3.5(5) K.

  5. Photoelectron diffraction study of Rh nanoparticles growth on Fe3O4/Pd(111) ultrathin film

    International Nuclear Information System (INIS)

    Abreu, G. J. P.; Pancotti, A; Lima, L. H. de; Landers, R.; Siervo, A. de

    2013-01-01

    Metallic nanoparticles (NPs) supported on oxides thin films are commonly used as model catalysts for studies of heterogeneous catalysis. Several 4d and 5d metal NPs (for example, Pd, Pt and Au) grown on alumina, ceria and titania have shown strong metal support interaction (SMSI), for instance the encapsulation of the NPs by the oxide. The SMSI plays an important role in catalysis and is very dependent on the support oxide used. The present work investigates the growth mechanism and atomic structure of Rh NPs supported on epitaxial magnetite Fe 3 O 4 (111) ultrathin films prepared on Pd(111) using the Molecular Beam Epitaxy (MBE) technique. The iron oxide and the Rh NPs were characterized using X-ray photoelectron spectroscopy (XPS), low-energy electron diffraction and photoelectron diffraction (PED). The combined XPS and PED results indicate that Rh NPs are metallic, cover approximately 20 % of the iron oxide surface and show height distribution ranging 3–5 ML (monolayers) with essentially a bulk fcc structure.

  6. Electronic and structural ground state of heavy alkali metals at high pressure

    Science.gov (United States)

    Fabbris, G.; Lim, J.; Veiga, L. S. I.; Haskel, D.; Schilling, J. S.

    2015-02-01

    Alkali metals display unexpected properties at high pressure, including emergence of low-symmetry crystal structures, which appear to occur due to enhanced electronic correlations among the otherwise nearly free conduction electrons. We investigate the high-pressure electronic and structural ground state of K, Rb, and Cs using x-ray absorption spectroscopy and x-ray diffraction measurements together with a b i n i t i o theoretical calculations. The sequence of phase transitions under pressure observed at low temperature is similar in all three heavy alkalis except for the absence of the o C 84 phase in Cs. Both the experimental and theoretical results point to pressure-enhanced localization of the valence electrons characterized by pseudogap formation near the Fermi level and strong s p d hybridization. Although the crystal structures predicted to host magnetic order in K are not observed, the localization process appears to drive these alkalis closer to a strongly correlated electron state.

  7. Influence of cold rolling and fatigue on the residual stress state of a metal matrix composite

    International Nuclear Information System (INIS)

    Hanus, E.; Ericsson, T.; Lu, J.; Decomps, F.

    1993-01-01

    The large difference in the coefficient of thermal expansion between the matrix alloy and the particle in a metal matrix composite gives rise to residual stresses in the material. In the present work the effect of cold rolling and four-point bending fatigue on the residual stress state of a silicon carbide particle reinforced aluminium alloy (AA 2014) has been investigated. The three dimensional stress state measured in both phases: matrix and reinforcement, has been determined by using an X-ray diffraction technique. It was found that cold rolling induces surface compressive macrostresses of about -250 MPa, with a penetration depth around 2 mm. The absolute values of the pseudomacrostresses in both phases are significantly reduced due to the single track rolling. Stress relaxation occurs during four-point bending fatigue. (orig.)

  8. The state of itinerant charge carriers and thermoelectric effects in correlated oxide metals

    International Nuclear Information System (INIS)

    Kuzemsky, A.L.; Abdus Salam International Centre for Theoretical Physics, Trieste

    2000-10-01

    We analyzed the physics of transport processes and, in particular, the thermoelectric power in the mercurocuprates and other cuprates to get a better insight into the state of the carriers in these compounds. The actual problems related to the complicated mechanisms of carriers scattering above Tc are discussed. The experimental studies of thermoelectric power showed that the state of carriers in cuprates can be influenced by many complicated scattering processes, however the underlying mechanism for the linear decreasing of the TEP with increasing the temperature for most hole-doped HTSC cuprates is still not yet known. The actual problems related to the complicated mechanisms of carriers scattering above Tc are discussed for a few models of charge transport. A comparison between the analytical and experimental results is also made. It is concluded that the crucial factor for the understanding of the transport properties of correlated oxide metals is the nature of itinerant charge carriers, i.e. renormalized quasiparticles. (author)

  9. Remarks on the 103Rh(n,n') sup(103m)Rh excitation curve

    International Nuclear Information System (INIS)

    Pazsit, A.; Peto, G.; Csikai, J.; Jozsa, I.; Bacso, J.

    1975-01-01

    The cross sections of the 103 Rh(n,n')sup(103m)Rh reaction have been measured at 2.7MeV and 14.8MeV neutron energies as well as for neutron spectra of 252 Cf and 239 Pu-α-Be sources; the results are 999+-111mb, 216+-26mb, 757+-53mb and 918+-64mb, respectively. (author)

  10. Oxidative leaching process with cupric ion in hydrochloric acid media for recovery of Pd and Rh from spent catalytic converters

    Energy Technology Data Exchange (ETDEWEB)

    Nogueira, C.A., E-mail: carlos.nogueira@lneg.pt [Laboratório Nacional de Energia e Geologia, I.P., Campus do Lumiar, 1649-038 Lisboa (Portugal); Paiva, A.P., E-mail: appaiva@fc.ul.pt [Centro de Química e Bioquímica, Departamento de Química e Bioquímica, Faculdade de Ciências da Universidade de Lisboa, 1749-016 Lisboa (Portugal); Oliveira, P.C. [Laboratório Nacional de Energia e Geologia, I.P., Campus do Lumiar, 1649-038 Lisboa (Portugal); Costa, M.C., E-mail: mcorada@ualg.pt [Centro de Ciências do Mar, Departamento de Química e Farmácia, Faculdade de Ciências e de Tecnologia, Campus de Gambelas, 8005-139 Faro (Portugal); Costa, A.M. Rosa da, E-mail: amcosta@ualg.pt [Centro de Investigação em Química do Algarve, Departamento de Química e Farmácia, Faculdade de Ciências e de Tecnologia, Campus de Gambelas, 8005-139 Faro (Portugal)

    2014-08-15

    Highlights: • A new leaching process based on Cu{sup 2+}/HCl media for recovering Pd and Rh from spent autocatalytic converters is presented. • Palladium and rhodium were efficiently leached, with attained maximum yields of 95% and 86%, respectively. • Temperature, time, and HCl and Cu{sup 2+} concentrations were found to be significant factors in the leaching of Pd and Rh. - Abstract: The recycling of platinum-group metals from wastes such as autocatalytic converters is getting growing attention due to the scarcity of these precious metals and the market pressure originated by increase of demand in current and emerging applications. Hydrometallurgical treatment of such wastes is an alternative way to the most usual pyrometallurgical processes based on smelter operations. This paper focuses on the development of a leaching process using cupric chloride as oxidising agent, in HCl media, for recovery of palladium and rhodium from a spent catalyst. The chloride media allows the adequate conditions for oxidising and solubilising the metals, as demonstrated by equilibrium calculations based on thermodynamic data. The experimental study of the leaching process revealed that Pd solubilisation is clearly easier than that of Rh. The factors temperature, time, and HCl and Cu{sup 2+} concentrations were significant regarding Pd and Rh leaching, the latter requiring higher factor values to achieve the same results. Leaching yields of 95% Pd and 86% Rh were achieved under optimised conditions (T = 80 °C, t = 4 h, [HCl] = 6 M, [Cu{sup 2+}] = 0.3 M)

  11. Waste Isolation Pilot Plant RH TRU waste preoperational checkout: Final report

    International Nuclear Information System (INIS)

    1988-06-01

    This report documents the results of the Waste Isolation Pilot Plant (WIPP) Remote-Handled Transuranic (RH TRU) Waste Preoperational Checkout. The primary objective of this checkout was to demonstrate the process of handling RH TRU waste packages, from receipt through emplacement underground, using equipment, personnel, procedures, and methods to be used with actual waste packages. A further objective was to measure operational time lines to provide bases for confirming the WIPP design through put capability and for projecting operator radiation doses. Successful completion of this checkout is a prerequisite to the receipt of actual RH TRU waste. This checkout was witnessed in part by members of the Environmental Evaluation Group (EEG) of the state of New Mexico. Further, this report satisfies a key milestone contained in the Agreement for Consultation and Cooperation with the state of New Mexico. 4 refs., 26 figs., 4 tabs

  12. Photoaffinity labeling of pituitary GnRH receptors: significance of the position of photolabel on the ligand

    International Nuclear Information System (INIS)

    Nikolics, K.; Szonyi, E.; Ramachandran, J.

    1988-01-01

    Photoreactive derivatives of GnRH and its analogues were prepared by incorporation of the 2-nitro-4(5)-azidophenylsulfenyl [2,4(5)-NAPS] group into amino acid residues at position 1, 3, 6, or 8 of the decapeptide sequence. The modification of Trp 3 by the 2,4-NAPS group led to a complete loss of the luteinizing hormone (LH) releasing as well as LH-release-inhibiting activity of the peptide. The [D-Lys(2,4-NAPS)] 6 analog was a very potent agonist that, after covalent attachment by photoaffinity labeling, caused prolonged LH secretion at a submaximal rate. [Orn(2,4-NAPS)] 8 -GnRH, a full agonist with a relative potency of 7% of GnRH, after photoaffinity labeling caused prolonged maximal LH release from cultured pituitary cells. In contrast, [Orn(2,5-NAPS)] 8 -GnRH, although being equipotent with the 2,4-NAPS isomer in terms of LH releasing ability, was unable to cause prolonged LH release after photoaffinity labeling. Thus, [Orn(2,4-NAPS)] 8 GnRH is very effective photolabeling ligand of the functionally significant pituitary GnRH receptor. Based on this compound, a pituitary peptidase resistant derivative, D-Phe 6 , [Orn(2,4-NAPS)] 8 -GnRH-(1-9)-ethylamide, was synthesized. This derivative showed high-affinity binding to pituitary membranes with a K/sub d/ comparable to those of other GnRH analogues. A radioiodinated form of this peptide was used for pituitary GnRH-receptor labeling. This derivative labeled 59- and 57-kDa proteins in rat and 58- and 56-kDa proteins in bovine pituitary membrane preparations, respectively. This peptide also labeled pituitary GnRH receptors in the solubilized state and therefore appears to be a suitable ligand for the isolation and further characterization of the receptor

  13. Magnetic and structural characterizations on nanoparticles of FePt, FeRh and their composites

    International Nuclear Information System (INIS)

    Ko, Hnin Yu Yu; Suzuki, Takao; Nam, Nguyen T.; Phuoc, Nguyen N.; Cao Jiangwei; Hirotsu, Yoshihiko

    2008-01-01

    The various compositions of FePt and FeRh nanoparticles, and their composite particles have been fabricated by the solution-phase chemical method and their magnetic properties characterized. High-resolution transmission electron microscopic observations indicate that mono-dispersed FeRh and FePt/FeRh nanoparticles are fabricated with the average size of 3-5 nm. However, larger size particles are distributed in the annealed state. From X-ray diffraction results, the as-deposited FeRh nanoparticles reveal a chemically disordered fcc structure which can be transformed into CsCl-type structure through thermal annealing. Similarly, the annealed FePt nanoparticles show the L1 0 -phase fct structure although the fcc structure is apparent in the as-deposited state. It is also found that the first time in the exchange bias effect in the composite of ferromagnetic (FePt) and anti-ferromagnetic (FeRh) nanoparticles; result in a shift of the hysteresis loop after field cooling process

  14. Strongly anisotropic and complex magnetic behavior in EuRhGe{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Bednarchuk, Oleksandr; Kaczorowski, Dariusz, E-mail: D.Kaczorowski@int.pan.wroc.pl

    2015-10-15

    Single crystals of EuRhGe{sub 3} were studied by means of magnetic susceptibility, magnetization, heat capacity, resistivity and magnetoresistance measurements, performed in wide ranges of temperature and magnetic field strength. The compound was characterized as a Curie–Weiss paramagnet, due to divalent Eu ions, that orders antiferromagnetically at T{sub N} = 11.3 K. In the ordered state, EuRhGe{sub 3} exhibits strong magnetic anisotropy. The magnetic moments are probably nearly confined within the ab plane of the tetragonal crystallographic unit cell, and the magnetic propagation vector is likely perpendicular to this plane. The bulk thermodynamic and transport data concordantly suggest that in zero magnetic field the magnetic structure of EuRhGe{sub 3} is incommensurate with the chemical one and bears an amplitude-modulated character. In external magnetic field applied within the easy magnetization plane, two other magnetic structures were detected, each of them having an antiferromagnetic nature. - Highlights: • High-quality single crystals of EuRhGe{sub 3} were prepared. • Low-temperature physical behavior was studied along the main crystallographic directions. • Magnetic phase diagrams for B || ab and B || c were derived • EuRhGe{sub 3} was found highly anisotropic despite L = 0 electronic ground state. • As many as three distinct AFM phases were evidenced for B || ab.

  15. Characterization of Interface State in Silicon Carbide Metal Oxide Semiconductor Capacitors

    Science.gov (United States)

    Kao, Wei-Chieh

    Silicon carbide (SiC) has always been considered as an excellent material for high temperature and high power devices. Since SiC is the only compound semiconductor whose native oxide is silicon dioxide (SiO2), it puts SiC in a unique position. Although SiC metal oxide semiconductor (MOS) technology has made significant progress in recent years, there are still a number of issues to be overcome before more commercial SiC devices can enter the market. The prevailing issues surrounding SiC MOSFET devices are the low channel mobility, the low quality of the oxide layer and the high interface state density at the SiC/SiO2 interface. Consequently, there is a need for research to be performed in order to have a better understanding of the factors causing the poor SiC/SiO2 interface properties. In this work, we investigated the generation lifetime in SiC materials by using the pulsed metal oxide semiconductor (MOS) capacitor method and measured the interface state density distribution at the SiC/SiO2 interface by using the conductance measurement and the high-low frequency capacitance technique. These measurement techniques have been performed on n-type and p-type SiC MOS capacitors. In the course of our investigation, we observed fast interface states at semiconductor-dielectric interfaces in SiC MOS capacitors that underwent three different interface passivation processes, such states were detected in the nitrided samples but not observed in PSG-passivated samples. This result indicate that the lack of fast states at PSG-passivated interface is one of the main reasons for higher channel mobility in PSG MOSFETs. In addition, the effect of mobile ions in the oxide on the response time of interface states has been investigated. In the last chapter we propose additional methods of investigation that can help elucidate the origin of the particular interface states, enabling a more complete understanding of the SiC/SiO2 material system.

  16. Aqueous hydrodechlorination of 4-chlorophenol over an Rh/reduced graphene oxide synthesized by a facile one-pot solvothermal process under mild conditions

    International Nuclear Information System (INIS)

    Ren, Yanlin; Fan, Guangyin; Wang, Chenyu

    2014-01-01

    Graphical abstract: The Rh nanoparticles/reduced graphene oxide (Rh NPs/RGO) nanocatalyst synthesized by a solvothermal technique showed high activity and stability for the hydrodechlorination of 4-chlorophenol under mild conditions. - Highlights: • Rh/RGO was synthesized through a one-pot polyol reduction of GO and RhCl 3 . • Complete HDC of 4-chlorophenol was obtained in aqueous phase without any additive. • The Rh/RGO exhibited an excellent catalytic performance for HDC reaction. - Abstract: Reduced graphene oxide (RGO) supported rhodium nanoparticles (Rh-NPs/RGO) was synthesized through one-pot polyol co-reduction of graphene oxide (GO) and rhodium chloride. The catalytic property of Rh-NPs/RGO was investigated for the aqueous phase hydrodechlorination (HDC) of 4-chlorophenol (4-CP). A complete conversion of 4-CP into high valued products of cyclohexanone (selectivity: 23.2%) and cyclohexanol (selectivity: 76.8%) was successfully achieved at 303 K and balloon hydrogen pressure in a short reaction time of 50 min when 1.5 g/L of 4-CP was introduced. By comparing with Rh-NPs deposited on the other supports, Rh-NPs/RGO delivered the highest initial rate (111.4 mmol/g Rh min) for 4-CP HDC reaction under the identical conditions. The substantial catalytic activity of Rh-NPs/RGO can be ascribed to the small and uniform particle size of Rh (average particle size was 1.7 ± 0.14 nm) on the surface of the RGO sheets and an electron-deficient state of Rh in the catalyst as a result of the strong interaction between the active sites and the surface function groups of RGO

  17. Direct Observation of Cr3+ 3d States in Ruby: Toward Experimental Mechanistic Evidence of Metal Chemistry.

    Science.gov (United States)

    Hunault, Myrtille O J Y; Harada, Yoshihisa; Miyawaki, Jun; Wang, Jian; Meijerink, Andries; de Groot, Frank M F; van Schooneveld, Matti M

    2018-04-26

    The role of transition metals in chemical reactions is often derived from probing the metal 3d states. However, the relation between metal site geometry and 3d electronic states, arising from multielectronic effects, makes the spectral data interpretation and modeling of these optical excited states a challenge. Here we show, using the well-known case of red ruby, that unique insights into the density of transition metal 3d excited states can be gained with 2p3d resonant inelastic X-ray scattering (RIXS). We compare the experimental determination of the 3d excited states of Cr 3+ impurities in Al 2 O 3 with 190 meV resolution 2p3d RIXS to optical absorption spectroscopy and to simulations. Using the crystal field multiplet theory, we calculate jointly for the first time the Cr 3+ multielectronic states, RIXS, and optical spectra based on a unique set of parameters. We demonstrate that (i) anisotropic 3d multielectronic interactions causes different scaling of Slater integrals, and (ii) a previously not observed doublet excited state exists around 3.35 eV. These results allow to discuss the influence of interferences in the RIXS intermediate state, of core-hole lifetime broadenings, and of selection rules on the RIXS intensities. Finally, our results demonstrate that using an intermediate excitation energy between L 3 and L 2 edges allows measurement of the density of 3d excited states as a fingerprint of the metal local structure. This opens up a new direction to pump-before-destroy investigations of transition metal complex structures and reaction mechanisms.

  18. Structural, electronic and adsorption properties of Rh(111)/Mo(110) bimetallic catalyst: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Palotás, K., E-mail: palotas@phy.bme.hu [Budapest University of Technology and Economics, Department of Theoretical Physics, H-1111 Budapest (Hungary); Slovak Academy of Sciences, Institute of Physics, Department of Complex Physical Systems, Center for Computational Materials Science, SK-84511 Bratislava (Slovakia); Bakó, I. [Hungarian Academy of Sciences, Research Center for Natural Sciences, Institute of Organic Chemistry, H-1117 Budapest (Hungary); Bugyi, L. [MTA-SZTE, Reaction Kinetics and Surface Chemistry Research Group, Rerrich B. Sqr. 1, H-6720 Szeged (Hungary)

    2016-12-15

    Highlights: • 1 ML of Rh on Mo(110) forms a wavy structure propagating along the [001] direction. • Strain & ligand effects in the Rh film cause a downward shift of the d-band center. • CO adsorption energies are decreased by about 35% compared to pure Rh(111). • Depending on adsorption site, 0.28–0.46 e is transferred to adsorbed CO from Rh film. • CO adsorption generates 0.15–0.22 e transfer from Rh film to Mo in the unit cell. - Abstract: Geometric and electronic characterizations of one monolayer rhodium with Nishiyama-Wassermann (NW) structure on Mo(110) substrate have been performed by density functional theory (DFT) calculations. In the NW structure the Rh atoms form a wavy structure propagating along the [001] direction, characterized by an amplitude of 0.26 Å in the [110] direction and by 0.10 Å in the [110] direction of the Mo(110) substrate. Strain and ligand effects operating in the rhodium film are distinguished and found to be manifested in the downward shift of the d-band center of the electron density of states (DOS) by 0.11 eV and 0.18 eV, respectively. The shift in the d-band center of Rh DOS predicts a decrease in the surface reactivity toward CO adsorption, which has been verified by detailed calculations of bond energies of CO located at on-top, bridge and hollow adsorption sites. The CO adsorption energies are decreased by about 35% compared to those reported for pure Rh(111), offering novel catalytic pathways for the molecule. An in-depth analysis of the charge transfer and the partial DOS characters upon CO adsorption on the NW-structured Rh(111)/Mo(110) bimetallic catalyst and on the pure Rh(111) surface sheds light on the bonding mechanism of CO and on the governing factors determining its lowered bond energy on the bimetallic surface.

  19. Photoemission study of the temperature-dependent energy-gap formation in the Kondo semiconductor CeRhAs

    International Nuclear Information System (INIS)

    Shimada, K.; Arita, M.; Takeda, Y.; Namatame, H.; Taniguchi, M.; Higashiguchi, M.; Oguchi, T.; Sasakawa, T.; Suemitsu, T.; Takabatake, T.

    2004-01-01

    Full text: The orthorhombic CeRhAs, known as a Kondo semiconductor, has attracted much interest for its unusual energy-gap formation associated with the successive 1st order phase transitions. In order to elucidate the mechanism of the energy- gap formation, we have done high-resolution temperature-dependent photoemission spectroscopy on the undulator beamlines of a compact electron-storage ring, HiSOR, at Hiroshima University. We have observed directly the energy-gap formation in the Ce 4f states and in the conduction bands. Comparing with the isostructural Kondo semimetal CeRhSb, we discuss the energy gap formation in CeRhAs

  20. Assessment of some heavy metals in fruit from local market in Khartoum state

    International Nuclear Information System (INIS)

    Omer, M. B.

    2013-01-01

    Fruits play important role in providing the individuals daily needs from vitamins iron, potassium and metals that need in the daily food as dietary supplementation or as an important elements that from some hormones or enzymes in small concentrations, if exists in high concentrations become toxic with bad effects. This study aims to detect some of metals and find this elements their concentrations in some fruits that is most consumed in Sudan which are: bananas, oranges, tomatoes and watermelons. These fruits were randomly collected from local markets in Khartoum state from the three localities: Khartoum, Bahri and Omdurman. Another sample was collected from the original farm to represent the samples. That's to compare was dried and pressured into pulled to be analyze it. The following metals were detecting: Br, Ca, Cr, Cu, Fe, K, Mn, Ni, Pb, Rb, Sr, Zn in ppm K, Ca and Fe measured in g/kg. It was found that the mean concentration of these metals in banana: 52.66, 28.01, 50.31, 15.79, 0.57, 31.98, 60.92, 10,07, 1.42, 18.41, 5.37 and 19.22 respectively. And the mean concentration of them in orange: 6.80, 9.83, 19.00, 52.88, 0.35, 26.54, 13.05, 41.53, 1.74, 49.80, 14.85, and 15.41, respectively. The mean concentration of them in tomato: 39.30, 5.45, 50.52, 20.03, 0.88, 62.45, 82.13, 9.44, 1.79, 59.78, 26.38, and 41.31, respectively. The mean concentration of metals watermelon: 33.00, 6.96, 26.08, 14.30, 1. 32, 43.93, 52,67, 6.01, 1.69. 38.51, 43.90, and 25,45, respectively. It is noted that these concentrations were far higher than the concentrations in other countries underwent the same study. The statistics showed in some fruits that the significant ratio between the case and the control was p < 0.05 i.e. the significant is different and may be caused by pollution.(Author)

  1. Temperature dependence of rippled corrugations induced on the Rh(1 1 0) surface via ion sputtering

    International Nuclear Information System (INIS)

    Molle, Alessandro; Buatier de Mongeot, F.; Granone, F.; Buzio, R.; Firpo, G.; Boragno, C.; Valbusa, U.

    2005-01-01

    Metal surfaces can be easily nanopatterned via ion sputtering: mounds or ripples can be created depending on the surface symmetry and temperature. However, in many cases these structures are unstable at room temperature and above, due to the adatom fast diffusion. This fact prevents the use of such systems as substrate or nanostamps for a technological implementation. In this paper we present a spot profile analysis low energy electron diffraction (SPA-LEED) study on the nanopatterning of a Rh(1 1 0) single crystal. Like the other (1 1 0) metal surfaces, previously investigated, also Rh(1 1 0) shows for increasing temperatures a transition between different rippled morphologies. The main advantage of this system is its stability at room temperature. From SPA-LEED data we can measure the structural features (average periodicity and local faceting) of the observed rippled structures

  2. Microwave sinthesys and characterization of Pt and Pt-Rh-Sn electrocatalysts for ethanol oxidation

    Directory of Open Access Journals (Sweden)

    Jovanović Vladislava M.

    2011-01-01

    Full Text Available Carbon supported Pt and Pt-Rh-Sn catalysts were synthesized by microwave-polyol method in ethylene glycol solution and investigated for the ethanol electro-oxidation reaction. The catalysts were characterized in terms of structure, morphology and composition by employing XRD, STM and EDX techniques. STM analysis indicated rather uniform particles and particle size of below 2 nm for both catalysts. XRD analysis of the Pt/C catalyst revealed two phases, one with the main characteristic peaks of face centered cubic crystal structure (fcc of platinum and another related to graphite like structure of carbon support Vulcan XC-72R. However, in XRD pattern of the Pt-Rh-Sn/C catalyst diffraction peaks for Pt, Rh or Sn cannot be resolved, indicating an extremely low crystallinity. The small particle sizes and homogeneous size distributions of both catalysts should be attributed to the advantages of microwave assisted modified polyol process in ethylene glycol solution. Pt-Rh- Sn/C catalyst is highly active for the ethanol oxidation with the onset potential shifted for more than 150 mV to negative values and with currents nearly 5 times higher in comparison to Pt/C catalyst. The stability tests of the catalysts, as studied by the chronoamperometric experiments, reveal that the Pt-Rh-Sn/C catalyst is evidently less poisoned then Pt/C catalyst. The increased activity of Pt-Rh-Sn/C in comparison to Pt/C catalyst is most probably promoted by bifunctional mechanism and the electronic effect of alloyed metals.

  3. Study of NaBH4 reaction with RhCl3·4H2O and H2PtCl6·6H2O in dimethylformamide

    International Nuclear Information System (INIS)

    Khain, V.S.; Val'kova, V.P.

    1988-01-01

    Data on study of NaBH 4 reactions with RhCl 3 x4H 2 O and H 2 PtCl 6 x6H 2 O in dimethylformamide, which is a good solvent of both complex hydride and compounds of platinum metals are presented. Rhodium (3) and platinum (4) reduction by sodium tetrahydridoborate in dimethylformamide proceeds quantitatively up to element state. Depositions of powder-like rhodium and platinum or their sols stable up to 8 months are formed depending on the ratio of concentrations of the reacting substances. Stoichiometry of redox-reactions is established based on spectrophotometric, gasovolumetric measurements,

  4. Measurement of 103mRh produced by the 103Rh(γ,γ')103mRh reaction with liquid scintillation counting

    International Nuclear Information System (INIS)

    Sekine, T.; Yoshihara, Kenji; Pavlicsek, I.; Lakosi, L.; Veres, A.

    1989-01-01

    A liquid scintillation counting technique was applied to measure the isotope 103m Rh (half life = 56.12 min) which is difficult to detect because its γ-ray is of low energy and low emission probability. Tris-(2,4-pentanedionato)rhodium(III) (Rh(acac) 3 ) was irradiated with bremsstrahlung of accelerated 3.2 MeV electrons by LINAC. The method has given a reliable calibration curve for the determination of 103m Rh radioactivity below Rh(acac) 3 concentrations of 2 mM. The integrated cross section of 103 Rh(γ,γ') 103m Rh determined by this method was found to be 6.8±3.4 μb MeV at 3.2 MeV. (author) 8 refs.; 5 figs

  5. Style et rhétorique

    DEFF Research Database (Denmark)

    Pedersen, Eva de la Fuente

    2006-01-01

    En se forgeant un style presque inimitable, qui paraît ébauché, Rembrandt a suscité l'admiration de ses contemporains. Au-delà son apparente spontanéité, ce style fait certainement écho aux préoccupations des théoriciens de l'art contemporains qui attendaient de la peinture, comme de la rhétorique...

  6. On the physicochemical states of heavy metals of very small amounts in river water

    International Nuclear Information System (INIS)

    Aoyama, Isao; Inoue, Yoriteru; Hashimoto, Noriaki.

    1976-01-01

    The physicochemical existence states of the heavy metals in river water were experimentally studied, with radioactive nuclides as tracers. The experimental samples taken from Kamo-river in the city of Kyoto were filtered through a membrane filter of 0.45 μm pore diameter. The radioactive nuclides of heavy metal tracers were added into the sample water, and pH was adjusted to the given value with hydrochloric solution on the acidic side and with sodium hydroxide solution on the alkaline side. After two days aging, the radioactivity ratios of the sediments on membrane filters to that of total passed samples were measured. The variation in the course of time of the concentrations of ionic tracers dialysed with cellulose tubes (24 angstrom pore diameter) was traced until the equilibrium condition was reached. The radioactivity of the supernatant of 20 ml of sample water added with 0.5 g of anion or cation exchange resin, and the concentrations of tracers in the upper layer of liquid in a centrifuge were measured. The existing conditions of elements such as zinc, cadmium, cobalt, strontium-yttrium were examined. In conclusion, the adsorption of all nuclides on the membrane filters increased with the increase of pH, but the significant difference was not recognized owing to the pore diameter (1.2 μm - 0.05 μm) excepting some experimental results. (Iwakiri, K.)

  7. Ground-state properties of rare-earth metals: an evaluation of density-functional theory

    International Nuclear Information System (INIS)

    Söderlind, Per; Turchi, P E A; Landa, A; Lordi, V

    2014-01-01

    The rare-earth metals have important technological applications due to their magnetic properties, but are scarce and expensive. Development of high-performance magnetic materials with less rare-earth content is desired, but theoretical modeling is hampered by complexities of the rare earths electronic structure. The existence of correlated (atomic-like) 4f electrons in the vicinity of the valence band makes any first-principles theory challenging. Here, we apply and evaluate the efficacy of density-functional theory for the series of lanthanides (rare earths), investigating the influence of the electron exchange and correlation functional, spin-orbit interaction, and orbital polarization. As a reference, the results are compared with those of the so-called ‘standard model’ of the lanthanides in which electrons are constrained to occupy 4f core states with no hybridization with the valence electrons. Some comparisons are also made with models designed for strong electron correlations. Our results suggest that spin–orbit coupling and orbital polarization are important, particularly for the magnitude of the magnetic moments, and that calculated equilibrium volumes, bulk moduli, and magnetic moments show correct trends overall. However, the precision of the calculated properties is not at the level of that found for simpler metals in the Periodic Table of Elements, and the electronic structures do not accurately reproduce x-ray photoemission spectra. (paper)

  8. Heavy metals pollution at municipal solid waste dumpsites in Kano and Kaduna states in Nigeria

    Directory of Open Access Journals (Sweden)

    W.U. Anake

    2009-08-01

    Full Text Available Soil samples collected from two major dumpsites each in Kano and Kaduna states were investigated for heavy metals pollution. Each of the dumpsite was divided into north, south, east and west. Four soil samples were collected at a depth of 0-15 cm from each part and pooled to form a composite sample. Soil samples from reserve areas within the same geographical locations as the dumpsites were collected as control. Acid-extractable cadmium (Cd, chromium (Cr, nickel (Ni and lead (Pb were determined using 2 M nitric acid solution and atomic absorption spectroscopy. The ranges of Cd, Cr, Ni and Pb levels for all the dumpsites were 0.30−49.8, 5.76−139, 0.39−19.1 and 42.6−9662 mg/kg, respectively. Kano dumpsite 2 was found to pollute most with Cd, Cr and Pb in 50-100 % soil samples collected having concentrations higher than the threshold limits set by regulatory body. Paper and food scraps showed higher percentages in both Kano and Kaduna dumpsites. The soil was high is sand for all the dumpsites implying high leaching potentials of the heavy metals pollutants.

  9. Site dependence of the Kondo scale in CePd{sub 1-x}Rh{sub x} evidenced by thermopower

    Energy Technology Data Exchange (ETDEWEB)

    Stockert, Ulrike; Hartmann, Stefanie; Deppe, Micha; Caroca-Canales, Nubia; Geibel, Christoph; Steglich, Frank [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); Sereni, Julian [Division Bajas Temperaturas, Centro Atomico Bariloche (Argentina)

    2015-07-01

    CePd{sub 1-x}Rh{sub x} undergoes a continuous evolution from ferromagnetic order in CePd to an intermediate-valence (IV) ground state for CeRh. Close to the disappearance of magnetic order at x{sub cr} ∼ 0.87 unusual behavior of the ac susceptibility and the specific heat was observed. It was explained with a broad distribution of local Kondo temperatures T{sub K} from below 2 K to above 50 K due to the disorder introduced by Pd-Rh exchange. The thermopower S is very sensitive to Kondo scattering even for diluted 4f systems. In Ce compounds a large positive maximum in S(T) is usually observed around T{sub K}. We studied S(T) in CePd{sub 1-x}Rh{sub x} in order to evaluate the presence of Kondo scattering and the involved energy scales. Pure CeRh shows typical IV behavior with a large maximum at 220 K and small values at low T. Already 5 % Pd substitution leads to a strong enhancement of the low-T thermopower. Even larger values are found around x{sub cr}, while the high-T maximum shifts only moderately. Our results are in line with the existence of low (local) Kondo scales in the presence of IV behavior at high Rh content x > x{sub cr}. For lower Rh content a decreasing (average) Kondo scale is found.

  10. Effect of localized states on the current-voltage characteristics of metal-semiconductor contacts with thin interfacial layer

    Science.gov (United States)

    Chattopadhyay, P.

    1994-10-01

    The role of discrete localized states on the current-voltage characteristics of metal-semiconductor contact is examined. It is seen that, because of these localized states, the logarithmic current vs voltage characteristics become nonlinear. Such nonlinearity is found sensitive to the temperature, and the energy and density of the localized states. The predicted temperature dependence of barrier height and the current-voltage characteristics are in agreement with the experimental results of Aboelfotoh [ Phys. Rev. B39, 5070 (1989)].

  11. Theoretical investigation of electronic and magnetic properties of HoRh layers

    International Nuclear Information System (INIS)

    Masrour, R.; Hlil, E.K.; Hamedoun, M.; Benyoussef, A.; Mounkachi, O.; Bahmad, L.; El Moussaoui, H.

    2013-01-01

    Self-consistent ab initio calculations, based on Density Functional Theory (DFT) approach and using Full potential Linear Augmented Plane Wave (FLAPW) method, are performed to investigate both electronic and magnetic properties of the HoRh layers. Polarized spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between two sites of Ho. Magnetic moment considered to lie along (001) axes are computed. The data obtained from the ab initio calculations are then used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The exchange integrals between the magnetic atoms in the same sites are given by using mean field theory. The HTSEs of the magnetic susceptibility of HoRh layers spin-S through the Ising model for HoRh layers, are studied to tenth order series in β=1/k B T. The critical exponent γ associated with the magnetic susceptibility is deduced for two models. - Highlights: • Ab initio calculations is using to investigate both electronic and magnetic properties of the HoRh layers. • Obtained data from ab initio calculations are used as input for the HTSEs. • The Néel temperature is obtained for HoRh layers

  12. Theoretical investigation of electronic and magnetic properties of HoRh layers

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, Sidi Bouzid, Safi (Morocco); LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Hlil, E.K. [Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble cedex 9 (France); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Benyoussef, A. [LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Mounkachi, O. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Bahmad, L. [LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); El Moussaoui, H. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2013-10-15

    Self-consistent ab initio calculations, based on Density Functional Theory (DFT) approach and using Full potential Linear Augmented Plane Wave (FLAPW) method, are performed to investigate both electronic and magnetic properties of the HoRh layers. Polarized spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between two sites of Ho. Magnetic moment considered to lie along (001) axes are computed. The data obtained from the ab initio calculations are then used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The exchange integrals between the magnetic atoms in the same sites are given by using mean field theory. The HTSEs of the magnetic susceptibility of HoRh layers spin-S through the Ising model for HoRh layers, are studied to tenth order series in β=1/k{sub B}T. The critical exponent γ associated with the magnetic susceptibility is deduced for two models. - Highlights: • Ab initio calculations is using to investigate both electronic and magnetic properties of the HoRh layers. • Obtained data from ab initio calculations are used as input for the HTSEs. • The Néel temperature is obtained for HoRh layers.

  13. Superconductivity induced by doping Rh in CaFe2-xRhxAs2

    International Nuclear Information System (INIS)

    Qi Yanpeng; Wang Lei; Gao Zhaoshun; Wang Dongliang; Zhang Xianping; Wang Chunlei; Yao Chao; Ma Yanwei

    2011-01-01

    In this paper, we report the synthesis of iron-based superconductors CaFe 2-x Rh x As 2 using a one-step solid state reaction method that crystallizes in the ThCr 2 Si 2 -type structure with a space group I4/mmm. The systematic evolution of the lattice constants demonstrates that the Fe ions are successfully replaced by the Rh. By increasing the doping content of Rh, the spin-density-wave (SDW) transition in the parent compound is suppressed and superconductivity emerges. The maximum superconducting transition temperature is found at 18.5 K with a doping level of x=0.15. The temperature dependence of dc magnetization confirms superconducting transitions at around 15 K. The general phase diagram was obtained and found to be similar to the case of the Rh-doping Sr122 system. Our results explicitly demonstrate the feasibility of inducing superconductivity in Ca122 compounds by higher d-orbital electron doping; however, different Rh-doping effects between FeAs122 compounds and FeAs1111 systems still remains an open question.

  14. The SESAME project. State of the art liquid metal thermal hydraulics and beyond

    Energy Technology Data Exchange (ETDEWEB)

    Roelofs, F.; Shams, A.; Batta, A.; Moreau, V.; Di Piazza, I.; Gerschenfeld, A.; Planquart, P.; Tarantino, M. [Nuclear Research and Consultancy Group (NRG), Petten (Netherlands)

    2017-08-15

    The European Sustainable Nuclear Industry Initiative (ESNII) aims at industrial application of fast reactor technology for a sustainable nuclear energy production. Currently four demonstration projects have a promising outlook in Europe, i.e. the ASTRID project in France, the MYRRHA project in Belgium, the ALFRED pan-European project to be realized in Romania, and SEALER in Sweden. Sodium and lead(-alloys) are envisaged as coolants for these reactors. Obviously, in the development of these reactors, thermal-hydraulics is recognized as a key challenge with emphasis on safety issues. This paper discusses the state-of-the-art knowledge with respect to experiments and simulation techniques as pursued in the Horizon 2020 SESAME (thermal hydraulics Simulations and Experiments for the Safety Assessment of MEtal cooled reactors) project.

  15. Standards for the contents of heavy metals in soils of some states

    Directory of Open Access Journals (Sweden)

    Yu.N. Vodyanitskii

    2016-09-01

    Full Text Available In line with the present-day ecological and toxicological data obtained by Dutch ecologists, heavy metals/metalloids form the following succession according to their hazard degree in soils: Se > Tl > Sb > Cd > V > Hg > Ni > Cu > Cr > As > Ba. This sequence substantially differs from the succession of heavy elements presented in the general toxicological Russian GOST (State Norms and Standards, which considers As, Cd, Hg, Se, Pb, and Zn to be strongly hazardous elements, whereas Co, Ni, Mo, Sb, and Cr to be moderately hazardous. As compared to the Dutch general toxicological approach, the hazard of lead, zinc, and cobalt is lower in soils, and that of vanadium, antimony, and barium is higher in Russia. MPC must been adopted for strongly hazardous thallium, selenium, and vanadium in Russia.

  16. Ground state oxygen holes and the metal-insulator transition in rare earth nickelates

    Energy Technology Data Exchange (ETDEWEB)

    Schmitt, Thorsten; Bisogni, Valentina; Huang, Yaobo; Strocov, Vladimir [Research Department Synchrotron Radiation and Nanotechnology, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Catalano, Sara; Gibert, Marta; Scherwitzl, Raoul; Zubko, Pavlo; Triscone, Jean-Marc [Departement de Physique de la Matiere Condensee, University of Geneva (Switzerland); Green, Robert J.; Balandeh, Shadi; Sawatzky, George [Department of Physics and Astronomy, University of British Columbia, Vancouver (Canada)

    2015-07-01

    Perovskite rare-earth (Re) nickelates ReNiO{sub 3} continue to attract a lot of interest owing to their intriguing properties like a sharp metal to insulator transition (MIT), unusual magnetic order and expected superconductivity in specifically tuned super-lattices. Full understanding of these materials, however, is hampered by the difficulties in describing their electronic ground state (GS). From X-ray absorption (XAS) at the Ni 2p{sub 3/2} edge of thin films of NdNiO{sub 3} and corresponding RIXS maps vs. incident and transferred photon energies we reveal that the electronic GS configuration of NdNiO{sub 3} is composed of delocalized and localized components. Our study conveys that a Ni 3d{sup 8}-like configuration with holes at oxygen takes on the leading role in the GS and the MIT of ReNiO{sub 3} as proposed by recent model theories.

  17. Rh-Ni and Rh-Co Catalysts for Autothermal Reforming of Gasoline

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Yeongyu; Lee, Daehyung; Kim, Yongmin; Lee, Jinhee; Nam, Sukwoo; Choi, Daeki; Yoon, Chang Won [Korea Institute of Science and Technology, Seoul (Korea, Republic of)

    2014-01-15

    Rh doped Ni and Co catalysts, Rh-M/CeO{sub 2}(20 wt %)-Al{sub 2}O{sub 3} (0.2 wt % of Rh; M = Ni or Co, 20 wt %) were synthesized to produce hydrogen via autothermal reforming (ATR) of commercial gasoline at 700 .deg. C under the conditions of a S/C ratio of 2.0, an O/C ratio of 0.84, and a gas hourly space velocity (GHSV) of 20,000 h{sup -1}. The Rh-Ni/CeO{sub 2}(20 wt %)-Al{sub 2}O{sub 3} catalyst (1) exhibited excellent activities, with H{sub 2} and (H{sub 2}+CO) yields of 2.04 and 2.58 mol/mol C, respectively. In addition, this catalyst proved to be highly stable over 100 h without catalyst deactivation, as evidenced by energy dispersive spectroscopy (EDX) and elemental analyses. Compared to 1, Rh-Co/CeO{sub 2}(20 wt %)-Al{sub 2}O{sub 3} catalyst (2) exhibited relatively low stability, and its activity decreased after 57 h. In line with this observation, elemental analyses confirmed that nearly no carbon species were formed at 1 while carbon deposits (10 wt %) were found at 2 following the reaction, which suggests that carbon coking is the main process for catalyst deactivation.

  18. Study of vortex configurations in Yb3Rh4Sn13 via minor hysteresis loops

    International Nuclear Information System (INIS)

    Sarkar, S.; Tulapurkar, A.A.; Ramakrishnan, S.; Grover, A.K.; Tomy, C.V.

    2001-01-01

    The tracings of the minor hysteresis loops in the superconductor Yb 3 Rh 4 Sn 13 (i) elucidate the path dependence in J c (H), (ii) help to reach the stable vortex configuration from a given metastable state and (iii) reveal the occurrence of step change in equilibrium magnetization across the peak effect (PE) regime. (author)

  19. Importance of semicore states in GW calculations for simulating accurately the photoemission spectra of metal phthalocyanine molecules.

    Science.gov (United States)

    Umari, P; Fabris, S

    2012-05-07

    The quasi-particle energy levels of the Zn-Phthalocyanine (ZnPc) molecule calculated with the GW approximation are shown to depend sensitively on the explicit description of the metal-center semicore states. We find that the calculated GW energy levels are in good agreement with the measured experimental photoemission spectra only when explicitly including the Zn 3s and 3p semicore states in the valence. The main origin of this effect is traced back to the exchange term in the self-energy GW approximation. Based on this finding, we propose a simplified approach for correcting GW calculations of metal phthalocyanine molecules that avoids the time-consuming explicit treatment of the metal semicore states. Our method allows for speeding up the calculations without compromising the accuracy of the computed spectra.

  20. Preparation and characterization of trans-RhCl(CO)(TPPTS)2-intercalated layered double hydroxides

    International Nuclear Information System (INIS)

    Zhang Xian; Wei Min; Pu Min; Li Xianjun; Chen Hua; Evans, David G.; Duan Xue

    2005-01-01

    trans-RhCl(CO)(TPPTS) 2 (TPPTS=tris(m-sulfonatophenyl)phosphine) has been intercalated into Zn-Al layered double hydroxides (LDHs) by the method of ion exchange. The structure, composition and thermal stability of the composite material have been characterized by powder X-ray diffraction, Fourier transform infrared and 31 P solid-state magic-angle spinning nuclear magnetic resonance spectroscopy, elemental analysis, thermogravimetry, and differential thermal analysis. The geometry of trans-RhCl(CO)(TPPTS) 2 was fully optimized using the PM3 semiempirical molecular orbital method, and a schematic model for the intercalated species has been proposed. The thermal stability of trans-RhCl(CO)(TPPTS) 2 is significantly enhanced by intercalation, which suggests that such materials may have prospective application as the basis of a supported catalyst system for the hydroformylation of higher olefins

  1. Status of liquid metal reactor development in the United States of America

    Energy Technology Data Exchange (ETDEWEB)

    Griffith, Jerry D [Reactor Systems Development and Technology, Office of Nuclear Energy, U.S. Department of Energy (United States); Horton, Kenneth E [Division of International Programs, Office of Nuclear Energy, U.S. Department of Energy (United States)

    1992-07-01

    The U.S. civilian nuclear power research and development program continues to focus on advanced large and mid-size light water reactors, advanced liquid metal fast reactors, and modular high temperature gas cooled reactors. This paper discusses the Advanced Liquid Metal Reactor program, which is composed of a small, passively safe fast reactor coupled with a metal fuel cycle that incorporates actinide recycle, and an emerging effort to process LWR spent fuel for LMR fissile material, and to enhance the LWR waste management. The liquid metal reactor concept has a sound technology base, with some three decades of research and development both in this and other countries. An existing network of government and industry research facilities and engineering test centers in the United States is currently providing test capabilities and the technical expertise required to conduct an aggressive advanced reactor development program. Notable among the research facilities is the Experimental Breeder Reactor-Il (EBR-II) at Argonne National Laboratory (ANL) in Idaho and the Fast Flux Test Facility (FFTF) at Hanford, Washington. Subsequent to the DOE directive to shut down the Fast Flux Test Facility in early 1990, significant effort was placed in finding international financial support for this reactor. This initiative was not successful. Therefore, although there may be a potential future mission for the FFTF, the Secretary of Energy announced on March 13, 1992 that the FFTF will be put in a standby condition starting April 1, 1992. Current U.S. Advanced Liquid Metal Reactor (ALMR) activity is focused on providing a reactor and fuel cycle system with improved safety margins, better economics, and an attractive waste management (actinide recycle) option. Special attention is being directed to passive safety features, large design margins, modular plant construction, standardized plant design leading to simplified licensing and shorter construction schedules, factory fabrication

  2. Status of liquid metal reactor development in the United States of America

    International Nuclear Information System (INIS)

    Griffith, Jerry D.; Horton, Kenneth E.

    1992-01-01

    The U.S. civilian nuclear power research and development program continues to focus on advanced large and mid-size light water reactors, advanced liquid metal fast reactors, and modular high temperature gas cooled reactors. This paper discusses the Advanced Liquid Metal Reactor program, which is composed of a small, passively safe fast reactor coupled with a metal fuel cycle that incorporates actinide recycle, and an emerging effort to process LWR spent fuel for LMR fissile material, and to enhance the LWR waste management. The liquid metal reactor concept has a sound technology base, with some three decades of research and development both in this and other countries. An existing network of government and industry research facilities and engineering test centers in the United States is currently providing test capabilities and the technical expertise required to conduct an aggressive advanced reactor development program. Notable among the research facilities is the Experimental Breeder Reactor-Il (EBR-II) at Argonne National Laboratory (ANL) in Idaho and the Fast Flux Test Facility (FFTF) at Hanford, Washington. Subsequent to the DOE directive to shut down the Fast Flux Test Facility in early 1990, significant effort was placed in finding international financial support for this reactor. This initiative was not successful. Therefore, although there may be a potential future mission for the FFTF, the Secretary of Energy announced on March 13, 1992 that the FFTF will be put in a standby condition starting April 1, 1992. Current U.S. Advanced Liquid Metal Reactor (ALMR) activity is focused on providing a reactor and fuel cycle system with improved safety margins, better economics, and an attractive waste management (actinide recycle) option. Special attention is being directed to passive safety features, large design margins, modular plant construction, standardized plant design leading to simplified licensing and shorter construction schedules, factory fabrication

  3. Activity of PtSnRh/C nanoparticles for the electrooxidation of C1 and C2 alcohols

    International Nuclear Information System (INIS)

    Teran, Freddy E.; Santos, Deise M.; Ribeiro, Josimar; Kokoh, Kouakou B.

    2012-01-01

    A systematic investigation of alcohol adsorption and oxidation on binary and ternary electrocatalysts in acid medium was performed. Binary (PtRh) and ternary (PtRhSn) were prepared by the Pechini modified method on carbon Vulcan XC-72, and different nominal compositions were characterized by energy dispersive X-ray and X-ray diffraction (XRD) techniques. The XRD results showed that the Pt 80 Rh 20 /C and Pt 70 Sn 10 Rh 20 /C electrocatalysts consisted of the Pt displaced phase, suggesting the formation of a solid solution between the metals Pt/Rh and Pt/Sn. Electrochemical investigations on these different electrode materials were carried out as a function of the electrocatalyst composition, in acid medium (0.5 mol dm −3 H 2 SO 4 ), and in the absence and presence of different alcohols (methanol, ethanol and ethylene glycol). The electrochemical results obtained at room temperature have shown that the Pt 70 Sn 10 Rh 20 /C catalyst display better catalytic activity for alcohol oxidation compared with the binary catalyst. In situ reflectance infrared spectroscopy measurements have shown that the oxidation of alcohols mentioned produced CO 2 at low potentials indicating that the materials synthesized could be used as efficient anodes in the fuel cell applications. - Highlights: ► Pt-based catalysts were synthesized by thermal decomposition polymeric precursors. ► Pt 70 Sn 10 Rh 20 /C displays better catalytic activity for the oxidation of alcohols. ► The co-catalysts tin and rhodium promote the removal of CO to CO 2 at low potentials. ► Ethylene glycol is oxidizing strongly to CO 2 at low potentials. ► Pt 70 Sn 10 Rh 20 /C catalyst is an efficient anode material for a direct alcohol fuel cell.

  4. Evaluation of metals and radionuclides in water treatment system for drinking in Pernambuco state, Brazil

    International Nuclear Information System (INIS)

    Albuquerque, Adriana Muniz de Almeida

    2017-01-01

    The metals and radionuclides are naturally incorporated into natural waters, and may be present at levels that condition the health of the population. In view of this, health agencies regulate standards which determine maximum concentration values for these elements in water intended for human consumption. However, the water sources do not have the required quality and the application of treatment technologies is necessary. These technologies remove the impurities initially incorporated into the waters of the fountains from the application of physical and chemical processes. The impurities are retained and concentrated in the treatment systems giving rise to a residue which may contain appreciable concentrations of metals and radionuclides, and this residue is included among the United States Environmental Protection Agency (USEPA). In the present study, the investigation of raw, treated and wastewater samples from 19 Water Treatment Stations located in the state of Pernambuco, in relation to the behavior of Al, Cd, Cu, Cr, Fe, Mn, Ni, Pb and Zn and radionuclides 226 Ra and 228 Ra, alpha and beta total and gamma emitters in the treatment systems, from the analysis of the concentrations of these in the waters and residues, evaluating the suitability of the waters in accordance with established in the norms in force, as well as the associated with the disposal of wastes that are commonly released into the environment. The results obtained for the metals indicated that the treatment systems must have their processes optimized to ensure the adequacy of the water supplied to the population to the potability parameters and for the residues levels that could generate environmental risk were observed. For the radionuclides the levels found in the waters were low, indicating a low contribution of these to the sources undergoing treatment, and in the residues the levels were low, but within the range described in the literature, corroborating its classification as a TENORM

  5. Preparation and evaluation of self-microemulsions for improved bioavailability of ginsenoside-Rh1 and Rh2.

    Science.gov (United States)

    Yang, Feifei; Zhou, Jing; Hu, Xiao; Yu, Stephanie Kyoungchun; Liu, Chunyu; Pan, Ruile; Chang, Qi; Liu, Xinmin; Liao, Yonghong

    2017-10-01

    Due to intestinal cytochrome P450 (CYP450)-mediated metabolism and P-glycoprotein (P-gp) efflux, poor oral bioavailability hinders ginsenoside-Rh1 (Rh1) and ginsenoside-Rh2 (Rh2) from clinical application. In this study, Rh1 and Rh2 were incorporated into two self-microemulsions (SME-1 and SME-2) to improve oral bioavailability. SME-1 contained both CYP450 and P-gp inhibitory excipients while SME-2 only consisted of P-gp inhibitory excipients. Results for release, cellular uptake, transport, and lymph node distribution demonstrated no significant difference between either self-microemulsions in vivo, but were elevated significantly in comparison to the free drug. The pharmaceutical profiles in vivo showed that the bioavailability of Rh1 in SME-1 (33.25%) was significantly higher than that in either SME-2 (21.28%) or free drug (12.92%). There was no significant difference in bioavailability for Rh2 between SME-1 (48.69%) or SME-2 (41.73%), although they both had remarkable increase in comparison to free drug (15.02%). We confirmed that SME containing CYP450 and P-gp inhibitory excipient could distinctively improve the oral availabilities of Rh1 compared to free drug or SME containing P-gp inhibitory excipient. No notable increase was observed between either SME for Rh2, suggesting that Rh2 undergoes P-gp-mediated efflux, but may not undergo distinct CYP450-mediated metabolism.

  6. Structure and Electronic Properties of Neutral and Negatively Charged RhBn Clusters (n = 3-10): A Density Functional Theory Study.

    Science.gov (United States)

    Li, Peifang; Mei, Tingting; Lv, Linxia; Lu, Cheng; Wang, Weihua; Bao, Gang; Gutsev, Gennady L

    2017-08-31

    The geometrical structure and electronic properties of the neutral RhB n and singly negatively charged RhB n - clusters are obtained in the range of 3 ≤ n ≤ 10 using the unbiased CALYPSO structure search method and density functional theory (DFT). A combination of the PBE0 functional and the def2-TZVP basis set is used for determining global minima on potential energy surfaces of the Rh-doped B n clusters. The photoelectron spectra of the anions are simulated using the time-dependent density functional theory (TD-DFT) method. Good agreement between our simulated and experimentally obtained photoelectron spectra for RhB 9 - provides support to the validity of our theoretical method. The relative stabilities of the ground-state RhB n and RhB n - clusters are estimated using the calculated binding energies, second-order total energy differences, and HOMO-LUMO gaps. It is found that RhB 7 and RhB 8 - are the most stable species in the neutral and anionic series, respectively. The chemical bonding analysis reveals that the RhB 8 - cluster possesses two sets of delocalized σ and π bonds. In both cases, the Hückel 4N + 2 rule is fulfilled and this cluster possesses both σ and π aromaticities.

  7. Metals fate and transport modelling in streams and watersheds: state of the science and USEPA workshop review

    Science.gov (United States)

    Caruso, B.S.; Cox, T.J.; Runkel, Robert L.; Velleux, M.L.; Bencala, Kenneth E.; Nordstrom, D. Kirk; Julien, P.Y.; Butler, B.A.; Alpers, Charles N.; Marion, A.; Smith, Kathleen S.

    2008-01-01

    Metals pollution in surface waters from point and non-point sources (NPS) is a widespread problem in the United States and worldwide (Lofts et al., 2007; USEPA, 2007). In the western United States, metals associated with acid mine drainage (AMD) from hardrock mines in mountainous areas impact aquatic ecosystems and human health (USEPA, 1997a; Caruso and Ward, 1998; Church et al., 2007). Metals fate and transport modelling in streams and watersheds is sometimes needed for assessment and restoration of surface waters, including mining-impacted streams (Runkel and Kimball, 2002; Caruso, 2003; Velleux et al., 2006). The Water Quality Analysis Simulation Program (WASP; Wool et al., 2001), developed by the US Environmental Protection Agency (USEPA), is an example of a model used for such analyses. Other approaches exist and appropriate model selection depends on site characteristics, data availability and modelling objectives. However, there are a wide range of assumptions, input parameters, data requirements and gaps, and calibration and validation issues that must be addressed by model developers, users and decision makers. Despite substantial work on model development, their successful application has been more limited because they are not often used by decision makers for stream and watershed assessment and restoration. Bringing together scientists, model developers, users and decision makers should stimulate the development of appropriate models and improve the applicability of their results. To address these issues, the USEPA Office of Research and Development and Region 8 (Colorado, Montana, North Dakota, South Dakota, Utah and Wyoming) hosted a workshop in Denver, Colorado on February 13–14, 2007. The workshop brought together approximately 35 experts from government, academia and consulting to address the state of the art for modelling metals fate and transport, knowledge gaps and future directions in metals modelling. It focused on modelling metals in high

  8. Unifying Exchange Sensitivity in Transition-Metal Spin-State Ordering and Catalysis through Bond Valence Metrics.

    Science.gov (United States)

    Gani, Terry Z H; Kulik, Heather J

    2017-11-14

    Accurate predictions of spin-state ordering, reaction energetics, and barrier heights are critical for the computational discovery of open-shell transition-metal (TM) catalysts. Semilocal approximations in density functional theory, such as the generalized gradient approximation (GGA), suffer from delocalization error that causes them to overstabilize strongly bonded states. Descriptions of energetics and bonding are often improved by introducing a fraction of exact exchange (e.g., erroneous low-spin GGA ground states are instead correctly predicted as high-spin with a hybrid functional). The degree of spin-splitting sensitivity to exchange can be understood based on the chemical composition of the complex, but the effect of exchange on reaction energetics within a single spin state is less well-established. Across a number of model iron complexes, we observe strong exchange sensitivities of reaction barriers and energies that are of the same magnitude as those for spin splitting energies. We rationalize trends in both reaction and spin energetics by introducing a measure of delocalization, the bond valence of the metal-ligand bonds in each complex. The bond valence thus represents a simple-to-compute property that unifies understanding of exchange sensitivity for catalytic properties and spin-state ordering in TM complexes. Close agreement of the resulting per-metal-organic-bond sensitivity estimates, together with failure of alternative descriptors demonstrates the utility of the bond valence as a robust descriptor of how differences in metal-ligand delocalization produce differing relative energetics with exchange tuning. Our unified description explains the overall effect of exact exchange tuning on the paradigmatic two-state FeO + /CH 4 reaction that combines challenges of spin-state and reactivity predictions. This new descriptor-sensitivity relationship provides a path to quantifying how predictions in transition-metal complex screening are sensitive to the

  9. Local Stress States and Microstructural Damage Response Associated with Deformation Twins in Hexagonal Close Packed Metals

    Directory of Open Access Journals (Sweden)

    Indranil Basu

    2017-12-01

    Full Text Available The current work implements a correlative microscopy method utilizing electron back scatter diffraction, focused ion beam and digital image correlation to accurately determine spatially resolved stress profiles in the vicinity of grain/twin boundaries and tensile deformation twin tips in commercially pure titanium. Measured local stress gradients were in good agreement with local misorientation values. The role of dislocation-boundary interactions on the buildup of local stress gradients is elucidated. Stress gradients across the twin-parent interface were compressive in nature with a maximum stress magnitude at the twin boundary. Stress profiles near certain grain boundaries initially display a local stress minimum, followed by a typically observed “one over square root of distance” variation, as was first postulated by Eshelby, Frank and Nabarro. The observed trends allude to local stress relaxation mechanisms very close to the grain boundaries. Stress states in front of twin tips showed tensile stress gradients, whereas the stress state inside the twin underwent a sign reversal. The findings highlight the important role of deformation twins and their corresponding interaction with grain boundaries on damage nucleation in metals.

  10. A state-of-the-art report on the development of liquid metal reactor materials

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yung Suk; Noh, Kye Hoh; Han, Jung Hoh; Park, Jee Yun; Lee, Duk Hyun; Suh, Jung Hoon; Park, Kee Sung; Jung, Choong Hwan [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1993-09-01

    A state-of-the are survey on the LMR materials - core and structural materials and the others - has been conducted. For core materials, ferritic steels with superior swelling resistance such as HT-9 or PNC-FMS and the ODS steels are found to be one of the best candidates for the cladding and wrapper tubes, respectively. As boron carbide presently used for a neutron absorber also needs to extend its life time, much attention is now being paid to the development of a coated pellets and a kind of cermet made of boron carbide and metal in order to eliminate the control rod failure. As structural materials for pressure vessel, pipe and steam generator, the 316 MN SS with lower carbon and medium nitrogen compared to the 316 SS and 9Cr-1Mo ferritic steels are well recommended, respectively. The inelastic analytical model and the evaluation methodology to predict creep fatigue life time have been reviewed. On the other hand, a state of the art survey on the EMP coil/insulator materials has been conducted and the feasibility of the functionally gradient materials such as ZrO2-304 SS has also been investigated. 89 figs., 34 tabs., 131 refs. (Author).

  11. Catalytic dehydrogenation of alcohol over solid-state molybdenum sulfide clusters with an octahedral metal framework

    Energy Technology Data Exchange (ETDEWEB)

    Kamiguchi, Satoshi, E-mail: kamigu@riken.jp [Advanced Catalysis Research Group, RIKEN Center for Sustainable Resource Science, 2-1 Hirosawa, Wako City, Saitama 351-0198 (Japan); Organometallic Chemistry Laboratory, RIKEN, 2-1 Hirosawa, Wako City, Saitama 351-0198 (Japan); Okumura, Kazu [School of Advanced Engineering, Kogakuin University, Nakano-machi, Hachioji City, Tokyo 192-0015 (Japan); Nagashima, Sayoko; Chihara, Teiji [Graduate School of Science and Engineering, Saitama University, Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan)

    2015-12-15

    Graphical abstract: - Highlights: • Solid-state molybdenum sulfide clusters catalyzed the dehydrogenation of alcohol. • The dehydrogenation proceeded without the addition of any oxidants. • The catalytic activity developed when the cluster was activated at 300–500 °C in H{sub 2}. • The Lewis-acidic molybdenum atom and basic sulfur ligand were catalytically active. • The clusters function as bifunctional acid–base catalysts. - Abstract: Solid-state molybdenum sulfide clusters with an octahedral metal framework, the superconducting Chevrel phases, are applied to catalysis. A copper salt of a nonstoichiometric sulfur-deficient cluster, Cu{sub x}Mo{sub 6}S{sub 8–δ} (x = 2.94 and δ ≈ 0.3), is stored in air for more than 90 days. When the oxygenated cluster is thermally activated in a hydrogen stream above 300 °C, catalytic activity for the dehydrogenation of primary alcohols to aldehydes and secondary alcohols to ketones develops. The addition of pyridine or benzoic acid decreases the dehydrogenation activity, indicating that both a Lewis-acidic coordinatively unsaturated molybdenum atom and a basic sulfur ligand synergistically act as the catalytic active sites.

  12. Multiply gapped density of states in a normal metal in contact with a superconductor

    Energy Technology Data Exchange (ETDEWEB)

    Reutlinger, Johannes; Belzig, Wolfgang [Department of Physics, University of Konstanz, 78457 Konstanz (Germany); Nazarov, Yuli V. [Kavli Institute of Nanoscience Delft, Delft University of Technology, 2628 CJ Delft (Netherlands); Glazman, Leonid I. [Department of Physics, Yale University, New Haven CT 06511-8499 (United States)

    2012-07-01

    The spectral properties of a normal metal adjacent to a superconductor are strongly dependent on the characteristic mesoscopic energy scale - the Thouless energy E{sub Th} - and the strength of the connection. In this work, we predict that the local density of states (LDOS), besides the well know minigap {proportional_to}E{sub Th}, can exhibit a multiple gap structure, which strongly depends on the type of the contact. For ballistic contacts we calculate these secondary gaps analytically in the framework of quantum circuit theory of mesoscopic transport. The secondary gaps are absent in the case of tunnel contacts. In the general case the equations are solved numerically for more realistic contacts, like for example diffusive connectors or dirty interfaces, which are characterized by continuous distributions of transmission eigenvalues between 0 and 1. We find that the gap vanishes in these cases, but the density of states is still suppressed around the superconducting gap edge. Distribution functions with a stronger weight at higher transmissions can be modeled through asymmetric ballistic double junctions, which even exhibit multiple gaps. Such spectral signatures are fundamental to disordered nanoscopic conductors and experimentally accessible.

  13. Workplace and occupational health: The first metal evaluation using nuclear and analytical techniques in the State of Minas Gerais, Brazil

    International Nuclear Information System (INIS)

    Barros Correia Menezes, M.A. de; Vilhena Schayer Sabino, C. de; Melo Mattos, S.V. de; Santos Filho, S.; Diniz, E.

    1998-01-01

    Belo Horizonte, the capital of the State of Minas Gerais and its neighbourhood are the second industrial center of Brazil, concentrating many industries in several areas mainly metal refining and transformation. There are no registers about the level of metal concentration in the environmental air in the industry, nor even of the level of workers' contamination. The overall objective of this Project is to make a survey of the exposures to metals related to occupational diseases in galvanizing industry, which is responsible for the majority of occurrences of occupational diseases. The survey will be accomplished using as bio-indicators hair, nails, blood, urine, and individual air filters. These matrixes will indicate the incorporation of metals and the exposure level. The analytical techniques that will be applied are the neutron activation joined to related non nuclear analytical techniques, such as atomic absorption. (author)

  14. Workplace and occupational health: The first metal evaluation using nuclear and analytical techniques in the State of Minas Gerais, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Barros Correia Menezes, M.A. de; Vilhena Schayer Sabino, C de [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN), Comissao Nacional de Energia Nuclear (CNEN), Sector de Radioquimica, Belo Horizonte, Minas Gerais (Brazil); Melo Mattos, S.V. de [FUNED, Divisao de Bromatologia e Toxicologia, Servico de Quimica Especializada, Belo Horizonte, MG (Brazil); Santos Filho, S [Secretaria Minicipal de Saude de Belo Horizonte, Belo Horizonte, MG (Brazil); Diniz, E [FUNDACENTRO/BH, Belo Horizonte, MG (Brazil)

    1999-12-31

    Belo Horizonte, the capital of the State of Minas Gerais and its neighbourhood are the second industrial center of Brazil, concentrating many industries in several areas mainly metal refining and transformation. There are no registers about the level of metal concentration in the environmental air in the industry, nor even of the level of workers` contamination. The overall objective of this Project is to make a survey of the exposures to metals related to occupational diseases in galvanizing industry, which is responsible for the majority of occurrences of occupational diseases. The survey will be accomplished using as bio-indicators hair, nails, blood, urine, and individual air filters. These matrixes will indicate the incorporation of metals and the exposure level. The analytical techniques that will be applied are the neutron activation joined to related non nuclear analytical techniques, such as atomic absorption. (author) 7 refs, 2 tabs

  15. Molecular water oxidation mechanisms followed by transition metals: state of the art.

    Science.gov (United States)

    Sala, Xavier; Maji, Somnath; Bofill, Roger; García-Antón, Jordi; Escriche, Lluís; Llobet, Antoni

    2014-02-18

    One clean alternative to fossil fuels would be to split water using sunlight. However, to achieve this goal, researchers still need to fully understand and control several key chemical reactions. One of them is the catalytic oxidation of water to molecular oxygen, which also occurs at the oxygen evolving center of photosystem II in green plants and algae. Despite its importance for biology and renewable energy, the mechanism of this reaction is not fully understood. Transition metal water oxidation catalysts in homogeneous media offer a superb platform for researchers to investigate and extract the crucial information to describe the different steps involved in this complex reaction accurately. The mechanistic information extracted at a molecular level allows researchers to understand both the factors that govern this reaction and the ones that derail the system to cause decomposition. As a result, rugged and efficient water oxidation catalysts with potential technological applications can be developed. In this Account, we discuss the current mechanistic understanding of the water oxidation reaction catalyzed by transition metals in the homogeneous phase, based on work developed in our laboratories and complemented by research from other groups. Rather than reviewing all of the catalysts described to date, we focus systematically on the several key elements and their rationale from molecules studied in homogeneous media. We organize these catalysts based on how the crucial oxygen-oxygen bond step takes place, whether via a water nucleophilic attack or via the interaction of two M-O units, rather than based on the nuclearity of the water oxidation catalysts. Furthermore we have used DFT methodology to characterize key intermediates and transition states. The combination of both theory and experiments has allowed us to get a complete view of the water oxidation cycle for the different catalysts studied. Finally, we also describe the various deactivation pathways for

  16. Differential accumulation of heavy metals in the sea anemone Anthopleura elegantissima as a function of symbiotic state

    International Nuclear Information System (INIS)

    Mitchelmore, Carys L.; Alan Verde, E.; Ringwood, Amy H.; Weis, Virginia M.

    2003-01-01

    The accumulation of metals by the North American Pacific Coast temperate sea anemone Anthopleura elegantissima, and its dinoflagellate-algal symbiont Symbiodinium muscatinei was examined following laboratory metal exposures. Both, naturally occurring symbiotic and symbiont-free (aposymbiotic) anemones were used in this study to investigate differences in metal uptake due to the symbiotic state of the animal. The effects of metal exposures on the anemone-algal symbiosis were determined using measures of algal cell density and mitotic index (MI). Anemones were exposed to either cadmium, copper, nickel or zinc chloride (0, 10, 100 μg l -1 for Cd, Cu and Ni; 0, 100, 1000 μg l -1 for Zn) for 42 days followed by a 42-day recovery period in ambient seawater. Anemones were analyzed for metal content using inductively coupled plasma mass spectroscopy (ICP-MS) at various time points during the study. Symbiotic anemones accumulated Cd, Ni and Zn to a greater extent than aposymbiotic anemones. A dramatically different pattern of Cu accumulation was observed, with aposymbiotic anemones accumulating higher levels than symbiotic anemones. Following recovery in ambient seawater, all tissue metal levels were reduced to near pre-exposure control levels in most cases. No changes in algal cell density or MI were observed in symbiotic anemone tentacle clips at any dose or time point in the Cd and Cu exposures. However, significant reductions in algal cell densities were observed in the Ni-exposed and some Zn-exposed animals, although levels returned to control values following recovery. There were no changes in mitotic index (MI) following Ni or Zn exposures. These results demonstrate that the extent of heavy metal accumulation depends upon cnidarian symbiotic state and the heavy metal in question

  17. Fabrication of γ-Fe2O3 Nanoparticles by Solid-State Thermolysis of a Metal-Organic Framework, MIL-100(Fe, for Heavy Metal Ions Removal

    Directory of Open Access Journals (Sweden)

    Shengtao Hei

    2014-01-01

    Full Text Available Porous γ-Fe2O3 nanoparticles were prepared via a solid-state conversion process of a mesoporous iron(III carboxylate crystal, MIL-100(Fe. First, the MIL-100(Fe crystal that served as the template of the metal oxide was synthesized by a low-temperature (<100°C synthesis route. Subsequently, the porous γ-Fe2O3 nanoparticles were fabricated by facile thermolysis of the MIL-100(Fe powders via a two-step calcination treatment. The obtained γ-Fe2O3 was characterized by X-ray diffraction (XRD, N2 adsorption, X-ray photoelectron spectroscopy (XPS, and scanning electron microscopy (SEM techniques, and then used as an adsorbent for heavy metal ions removal in water treatment. This study illustrates that the metal-organic frameworks may be suitable precursors for the fabrication of metal oxides nanomaterials with large specific surface area, and the prepared porous γ-Fe2O3 exhibits a superior adsorption performance for As(V and As(III ions removal in water treatment.

  18. Spin dynamics in the metallic state of the high Tc superconducting system YBa2Cu3O6+x

    International Nuclear Information System (INIS)

    Bourges, P.; Sidis, Y.; Regnault, L.P.; Henry, J.Y.; Burlet, P.

    1994-01-01

    The spin dynamics in single-crystals of YBa 2 Cu 3 O 6+x has been successfully investigated, by inelastic neutron scattering (INS) experiments, as a function of temperature in the metallic state over the whole doping range from the weakly-doped to the heavily-doped and the over-doped regimes. Dynamical AF-correlations persist in all the metallic states. The imaginary part of the magnetic susceptibility, χ '' , consists of two contributions which have different doping and temperature dependences. At low temperature, χ '' exhibits an energy gap in any superconducting samples which becomes much weaker close to the insulating-metallic transition. To emphasize the characteristic features of the spin dynamics in YBCO, INS results obtained elsewhere are compared with the experiments. Several theoretical approaches, which intend to describe the energy lineshape of the dynamical magnetic susceptibility, are also discussed. (authors). 6 figs., 51 refs

  19. Terceirização no setor de RH: estudo de casos em empresas do setor mecânico

    OpenAIRE

    Simone van der Halen

    2000-01-01

    Este trabalho procura investigar se a terceirização de alguns subsistemas de Recursos Humanos (RH), de empresas do setor metal-mecânico do Rio Grande do Sul, possibilita maior desenvolvimento e crescimento para as organizações e os funcionários. Contextualizou-se o tema, quando se abordou a flexibilização como resposta à globalização dos mercados, a terceirização, como ferramenta da flexibilização e aspectos referentes ao novo papel de RH e a terceirização neste setor. A pesquisa é de naturez...

  20. Quasiparticle density of states in a half metal in the presence of odd-frequency Cooper pairs

    NARCIS (Netherlands)

    Asano, Yasuhiro; Yokoyama, Takehito; Tanaka, Yukio; Golubov, Alexandre Avraamovitch

    2008-01-01

    We study the local density of states in a half metal sandwiched by the two superconductors. The spin-flip scattering at the junction interface opens the Josephson channels of the odd-frequency spin-triplet s-wave Cooper pairs. The penetration of the odd-frequency pairs enhances the quasiparticle

  1. Waste Isolation Pilot Plant simulated RH TRU waste experiments: Data and interpretation pilot

    International Nuclear Information System (INIS)

    Molecke, M.A.; Argueello, G.J.; Beraun, R.

    1993-04-01

    The simulated, i.e., nonradioactive remote-handled transuranic waste (RH TRU) experiments being conducted underground in the Waste Isolation Pilot Plant (WIPP) were emplaced in mid-1986 and have been in heated test operation since 9/23/86. These experiments involve the in situ, waste package performance testing of eight full-size, reference RH TRU containers emplaced in horizontal, unlined test holes in the rock salt ribs (walls) of WIPP Room T. All of the test containers have internal electrical heaters; four of the test emplacements were filled with bentonite and silica sand backfill materials. We designed test conditions to be ''near-reference'' with respect to anticipated thermal outputs of RH TRU canisters and their geometrical spacing or layout in WIPP repository rooms, with RH TRU waste reference conditions current as of the start date of this test program. We also conducted some thermal overtest evaluations. This paper provides a: detailed test overview; comprehensive data update for the first 5 years of test operations; summary of experiment observations; initial data interpretations; and, several status; experimental objectives -- how these tests support WIPP TRU waste acceptance, performance assessment studies, underground operations, and the overall WIPP mission; and, in situ performance evaluations of RH TRU waste package materials plus design details and options. We provide instrument data and results for in situ waste container and borehole temperatures, pressures exerted on test containers through the backfill materials, and vertical and horizontal borehole-closure measurements and rates. The effects of heat on borehole closure, fracturing, and near-field materials (metals, backfills, rock salt, and intruding brine) interactions were closely monitored and are summarized, as are assorted test observations. Predictive 3-dimensional thermal and structural modeling studies of borehole and room closures and temperature fields were also performed

  2. Ternary rhombohedral Laves phases RE_2Rh_3Ga (RE = Y, La-Nd, Sm, Gd-Er)

    International Nuclear Information System (INIS)

    Seidel, Stefan; Benndorf, Christopher; Heletta, Lukas; Poettgen, Rainer; Eckert, Hellmut; Sao Paulo Univ., Sao Carlos

    2017-01-01

    The ordered Laves phases RE_2Rh_3Ga (RE=Y, La-Nd, Sm, Gd-Er) were synthesized by arc-melting of the elements and subsequent annealing. The samples were characterized by powder X-ray diffraction (XRD). They crystallize with the rhombohedral Mg_2Ni_3Si type structure, space group R3m. Three structures were refined from single crystal X-ray diffractometer data: a=557.1(1), c=1183.1(2), wR2=0.0591, 159 F"2 values, 10 variables for Y_2Rh_3Ga, a=562.5(2), c=1194.4(2) pm, wR2=0.0519, 206 F"2 values, 11 variables for Ce_2Rh_3Ga and a=556.7(2), c=1184.1(3) pm, wR2=0.0396, 176 F"2 values, 11 variables for Tb_2Rh_3Ga. The Rh_3Ga tetrahedra are condensed via common corners and the large cavities left by the network are filled by the rare earth atoms. The RE_2Rh_3Ga Laves phases crystallize with a translationengleiche subgroup of the cubic RERh_2 Laves phases with MgCu_2 type. Magnetic susceptibility measurements reveal Pauli paramagnetism for Y_2Rh_3Ga and La_2Rh_3Ga. Ce_2Rh_3Ga shows intermediate cerium valence while all other RE_2Rh_3Ga phases are Curie-Weiss paramagnets which order magnetically at low temperatures. The "8"9Y and "7"1Ga solid state nuclear magnetic resonance (NMR) spectra of the diamagnetic representative Y_2Rh_3Ga show well-defined single resonances in agreement with an ordered bulk phase. In comparison to the binary Laves phase YRh_2 a strongly increased "8"9Y resonance frequency is observed owing to a higher s-electron spin density at the "8"9Y nuclei as proven by density of states (DOS) calculations.

  3. In-beam γ-spectroscopic study of rotational bands in 103Rh

    International Nuclear Information System (INIS)

    Kuti, I.; Timar, J.; Sohler, D.; Koike, T.; Lee, I.Y.; Machiavelli, A.O.

    2012-01-01

    Complete text of publication follows. Earlier studies revealed the existence of chiral partner candidate bands in 103 Rh. In order to construct a more complex level scheme, and to collect more information on the band structure, we studied the experimental properties of the rotational bands of this nucleus. For this analysis, excited states of 103 Rh were populated through the 96 Zr( 11 B,4n) reaction at a beam energy of 40 MeV. The beam, provided by the 88-in. cyclotron of the Lawrence Berkeley National Laboratory (LBNL), impinged on a 500 μg/cm 2 self-supporting target foil. For detection of the emitted γ-rays, the GAMMASPHERE spectrometer was used. Out of a sum of 9x10 9 events, about the 65% could be assigned to 103 Rh. In the present phase of the study, the level scheme was constructed based on γγγ-coincidence relationships, as well as energy and intensity balances of the observed γ-rays. The analysis included the evaluation of 2- and 3-dimensional histograms, using the RADWARE software package. Three typical γγγ-coincidence spectra are shown in Figure 1. We doubled the number of transitions assigned to 103 Rh and we established five new bands to the formerly known six ones. In order to assign firm spin-parities to the states, we plan to make an angular correlation (DCO) analysis for the observed transitions.

  4. Investigation of energy band alignments and interfacial properties of rutile NMO2/TiO2 (NM = Ru, Rh, Os, and Ir) by first-principles calculations.

    Science.gov (United States)

    Yang, Chen; Zhao, Zong-Yan

    2017-11-08

    In the field of photocatalysis, constructing hetero-structures is an efficient strategy to improve quantum efficiency. However, a lattice mismatch often induces unfavorable interfacial states that can act as recombination centers for photo-generated electron-hole pairs. If the hetero-structure's components have the same crystal structure, this disadvantage can be easily avoided. Conversely, in the process of loading a noble metal co-catalyst onto the TiO 2 surface, a transition layer of noble metal oxides is often formed between the TiO 2 layer and the noble metal layer. In this article, interfacial properties of hetero-structures composed of a noble metal dioxide and TiO 2 with a rutile crystal structure have been systematically investigated using first-principles calculations. In particular, the Schottky barrier height, band bending, and energy band alignments are studied to provide evidence for practical applications. In all cases, no interfacial states exist in the forbidden band of TiO 2 , and the interfacial formation energy is very small. A strong internal electric field generated by interfacial electron transfer leads to an efficient separation of photo-generated carriers and band bending. Because of the differences in the atomic properties of the components, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures demonstrate band dividing, while RhO 2 /TiO 2 and IrO 2 /TiO 2 hetero-structures have a pseudo-gap near the Fermi energy level. Furthermore, NMO 2 /TiO 2 hetero-structures show upward band bending. Conversely, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures present a relatively strong infrared light absorption, while RhO 2 /TiO 2 and IrO 2 /TiO 2 hetero-structures show an obvious absorption edge in the visible light region. Overall, considering all aspects of their properties, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures are more suitable than others for improving the photocatalytic performance of TiO 2 . These findings will provide useful information

  5. Epitaxial growth of unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures on 4H Au nanoribbons

    KAUST Repository

    Fan, Zhanxi; Chen, Ye; Zhu, Yihan; Wang, Jie; Li, Bing; Zong, Yun; Han, Yu; Zhang, Hua

    2016-01-01

    Metal nanomaterials normally adopt the same crystal structure as their bulk counterparts. Herein, for the first time, the unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures have been synthesized on 4H Au nanoribbons (NRBs) via solution-phase epitaxial growth under ambient conditions. Interestingly, the 4H Au NRBs undergo partial phase transformation from 4H to face-centered cubic (fcc) structures after the metal coating. As a result, a series of polytypic 4H/fcc bimetallic Au@M (M = Ir, Rh, Os, Ru and Cu) core-shell NRBs has been obtained. We believe that the rational crystal structure-controlled synthesis of metal nanomaterials will bring new opportunities for exploring their phase-dependent physicochemical properties and promising applications.

  6. Epitaxial growth of unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures on 4H Au nanoribbons

    KAUST Repository

    Fan, Zhanxi

    2016-09-12

    Metal nanomaterials normally adopt the same crystal structure as their bulk counterparts. Herein, for the first time, the unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures have been synthesized on 4H Au nanoribbons (NRBs) via solution-phase epitaxial growth under ambient conditions. Interestingly, the 4H Au NRBs undergo partial phase transformation from 4H to face-centered cubic (fcc) structures after the metal coating. As a result, a series of polytypic 4H/fcc bimetallic Au@M (M = Ir, Rh, Os, Ru and Cu) core-shell NRBs has been obtained. We believe that the rational crystal structure-controlled synthesis of metal nanomaterials will bring new opportunities for exploring their phase-dependent physicochemical properties and promising applications.

  7. The Two-Dimensional MnO2/Graphene Interface: Half-metallicity and Quantum Anomalous Hall State

    KAUST Repository

    Gan, Liyong

    2015-10-07

    We explore the electronic properties of the MnO2/graphene interface by first-principles calculations, showing that MnO2 becomes half-metallic. MnO2 in the MnO2/graphene/MnO2 system provides time-reversal and inversion symmetry breaking. Spin splitting by proximity occurs at the Dirac points and a topologically nontrivial band gap is opened, enabling a quantum anomalous Hall state. The half-metallicity, spin splitting, and size of the band gap depend on the interfacial interaction, which can be tuned by strain engineering.

  8. The Two-Dimensional MnO2/Graphene Interface: Half-metallicity and Quantum Anomalous Hall State

    KAUST Repository

    Gan, Liyong; Zhang, Qingyun; Guo, Chun-Sheng; Schwingenschlö gl, Udo; Zhao, Yong

    2015-01-01

    We explore the electronic properties of the MnO2/graphene interface by first-principles calculations, showing that MnO2 becomes half-metallic. MnO2 in the MnO2/graphene/MnO2 system provides time-reversal and inversion symmetry breaking. Spin splitting by proximity occurs at the Dirac points and a topologically nontrivial band gap is opened, enabling a quantum anomalous Hall state. The half-metallicity, spin splitting, and size of the band gap depend on the interfacial interaction, which can be tuned by strain engineering.

  9. Equations of state of heavy metals: ab initio approaches; Equations d'etat des metaux lourds: approches ab initio

    Energy Technology Data Exchange (ETDEWEB)

    Bernard, S.; Jollet, F.; Jomard, G.; Siberchicot, B.; Torrent, M.; Zerah, G.; Amadon, B.; Bouchet, J.; Richard, N.; Robert, G. [CEA Bruyeres-le-Chatel, 91 (France)

    2005-07-01

    The determination of equations of states of heavy metals through ab initio calculation, i.e. without any adjustable parameter, allows to access to pressure and temperature thermodynamic conditions sometimes inaccessible to experiment. To perform such calculations, density functional theory (DFT) is a good starting point: when electronic densities are homogeneous enough, the local density approximation (LDA) remarkably accounts for thermodynamic properties of heavy metals, such as tantalum, or the light actinides, as well for static properties - equilibrium volume, elastic constants - as for dynamical quantities like phonon spectra. For heavier elements, like neptunium or plutonium, relativistic effects and strong electronic interactions must be taken into account, which requires more sophisticated theoretical approaches. (authors)

  10. Selected Metals in Sediments and Streams in the Oklahoma Part of the Tri-State Mining District, 2000-2006

    Science.gov (United States)

    Andrews, William J.; Becker, Mark F.; Mashburn, Shana L.; Smith, S. Jerrod

    2009-01-01

    The abandoned Tri-State mining district includes 1,188 square miles in northeastern Oklahoma, southeastern Kansas, and southwestern Missouri. The most productive part of the Tri-State mining district was the 40-square mile part in Oklahoma, commonly referred to as 'the Picher mining district' in north-central Ottawa County, Oklahoma. The Oklahoma part of the Tri-State mining district was a primary producing area of lead and zinc in the United States during the first half of the 20th century. Sulfide minerals of cadmium, iron, lead, and zinc that remained in flooded underground mine workings and in mine tailings on the land surface oxidized and dissolved with time, forming a variety of oxide, hydroxide, and hydroxycarbonate metallic minerals on the land surface and in streams that drain the district. Metals in water and sediments in streams draining the mining district can potentially impair the habitat and health of many forms of aquatic and terrestrial life. Lakebed, streambed and floodplain sediments and/or stream water were sampled at 30 sites in the Oklahoma part of the Tri-State mining district by the U.S. Geological Survey and the Oklahoma Department of Environmental Quality from 2000 to 2006 in cooperation with the U.S. Environmental Protection Agency, and the Quapaw and Seneca-Cayuga Tribes of Oklahoma. Aluminum and iron concentrations of several thousand milligrams per kilogram were measured in sediments collected from the upstream end of Grand Lake O' the Cherokees. Manganese and zinc concentrations in those sediments were several hundred milligrams per kilogram. Lead and cadmium concentrations in those sediments were about 10 percent and 0.1 percent of zinc concentrations, respectively. Sediment cores collected in a transect across the floodplain of Tar Creek near Miami, Oklahoma, in 2004 had similar or greater concentrations of those metals than sediment cores collected at the upstream end of Grand Lake O' the Cherokees. The greatest concentrations of

  11. Constitutional studies in the palladium-rhodium-tellurium (-oxygen) system. A contribution to elucidate the behaviour of Pd, Rh and Te in the vitrification process of high-level waste concentrates (HLWC)

    International Nuclear Information System (INIS)

    Hartmann, T.

    1996-01-01

    In the vitrification process of high-level waste concentrates (HLWC) from the reprocessing of nuclear spent fuel elements, about 30 different elements have to be immobilized in a solid matrix consisting of an alkali borosilicate glass. Most of the waste oxides are dissolved in the alkali borosilicate melt and become structural elements of the glasses when cooled. This, however, applies only partly to the platinum metals Ru, which forms RuO 2 , and palladium and rhodium, which deposit as sparingly soluble and electrically conducting tellurides. This might considerably impair the technical process of HLWC vitrification. Therefore, constitutional studies on the Pd-Rh-Te system became necessary. The phase diagram of the Pd-Rh-Te ternary system at temperatures of 1150, 1100, 1050, 1000, 950, 900 and 750 C was determined under inertial conditions. Oxygen exerts a major influence on the system. Already under limited availability of oxygen, the rhodium contents of the solid solution phases α 1 and α 2 are clearly diminished. Rhodium of the phases becomes oxidized selectively. The three-phase field α 1 +α 2 +L is shifted to higher palladium and tellurium contents, even oxygen is available to a limited extend only. With the oxygen in the air, the extension of the three-phase space is reduced markedly. The complex process chemistry of Pf, Rh and Te during the vitrification can be described by the state of the Pd-Rh-Te ternary system after annealing in (air) oxygen for limited periods of time. (orig./MM) [de

  12. Design and Investigation of Optical Properties of N-(Rhodamine-B)-Lactam-Ethylenediamine (RhB-EDA) Fluorescent Probe.

    Science.gov (United States)

    Soršak, Eva; Volmajer Valh, Julija; Korent Urek, Špela; Lobnik, Aleksandra

    2018-04-14

    This study presents chemical modification of a Rhodamine B (RhB) sensor probe by ethylenediamine (EDA), and investigation of its spectral as well as sensor properties to the various metals. The synthesised N -(Rhodamine-B)-lactam-ethylenediamine (RhB-EDA) fluorescent probe shows interesting optical sensor properties, and high sensitivity and selectivity to Ag⁺ ions among all the tested metal ions (K⁺, Mg 2+ , Cu 2+ , Ni 2+ , Fe 2+ , Pb 2+ , Na⁺, Mn 2+ , Li⁺, Al 3+ , Co 2+ , Hg 2+ , Sr 2+ , Ca 2+ , Ag⁺, Cd 2+ and Zn 2+ ), while the well-known Rhodamine B (RhB) fluorescent probe shows much less sensitivity to Ag⁺ ions, but high sensitivity to Fe 2+ ions. The novel fluorescent sensor probe RhB-EDA has the capabilities to sense Ag⁺ ions up to µM ranges by using the fluorescence quenching approach. The probe displayed a dynamic response to Ag⁺ in the range of 0.43 × 10 -3 -10 -6 M with a detection limit of 0.1 μM. The sensing system of an RhB-EDA novel fluorescent probe was optimised according to the spectral properties, effect of pH and buffer, photostability, incubation time, sensitivity, and selectivity. Since all the spectral and sensing properties were tested in green aqueous media, although many other similar sensor systems rely on organic solvent solutions, the RhB-EDA sensing probe may be a good candidate for measuring Ag⁺ ions in real-life applications.

  13. Revealing the hidden structural phases of FeRh

    Science.gov (United States)

    Kim, Jinwoong; Ramesh, R.; Kioussis, Nicholas

    2016-11-01

    Ab initio electronic structure calculations reveal that tetragonal distortion has a dramatic effect on the relative stability of the various magnetic structures (C-, A-, G-, A'-AFM, and FM) of FeRh giving rise to a wide range of novel stable/metastable structures and magnetic phase transitions between these states. We predict that the cubic G-AFM structure, which was believed thus far to be the ground state, is metastable and that the tetragonally expanded G-AFM is the stable structure. The low energy barrier separating these states suggests phase coexistence at room temperature. We propose an A'-AFM phase to be the global ground state among all magnetic phases which arises from the strain-induced tuning of the exchange interactions. The results elucidate the underlying mechanism for the recent experimental findings of electric-field control of magnetic phase transition driven via tetragonal strain. The magnetic phase transitions open interesting prospects for exploiting strain engineering for the next-generation memory devices.

  14. Structure and Dynamics of the Metal Site of Cadmium-Substituted Carboxypeptidase A in Solution and Crystalline States and under Steady-State peptide Catalysis

    DEFF Research Database (Denmark)

    Bauer, R.; Danielsen, E.; Hemmingsen, L.

    1997-01-01

    are consistent with an intact scissile peptide bond in the enzyme-substrate complex of Bz-Gly-L-Phe and Bz-Gly-Gly-L-Phe. A single nuclear quadrupole interaction (NQI) is observed for the crystalline state of the enzyme between pH 5.7 and pH 9.4. This NQI agrees with calculations based on the metal coordination...... geometry for cadmium in crystalline CPD derived from X-ray diffraction studies. A single broad distribution of NQIs is observed for CPD in sucrose solutions and 0.1 M NaCl at pH values below 6.5. This NQI (NQI-1') has parameters very close to those for the crystalline state. The enzyme metal site......, characterized by this NQI, is converted into two new enzyme metal sites over the pH range of 6.5-8.3. The metal coordination sphere of one of these has a NQI (NQI-1) with parameters similar to those at lower pH values (NQI-1') while the other NQI (NQI-2) is characterized by markedly different NQI parameters...

  15. The state of the art on the radioactive metal waste recycling technologies

    International Nuclear Information System (INIS)

    Oh, Won Jin; Moon, Jei Kwon; Jung, Chong Hun; Park, Sang Yoon

    1997-09-01

    As the best strategy to manage the radioactive metal wastes which are generated during operation and decommissioning of nuclear facilities, the following recycling technologies are investigated. 1. decontamination technologies for radioactive metal waste recycling 2. decontamination waste treatment technologies. 3. residual radioactivity evaluation technologies. (author). 260 refs., 26 tabs., 31 figs

  16. Competition of Dzyaloshinskii-Moriya and Higher-Order Exchange Interactions in Rh /Fe Atomic Bilayers on Ir(111)

    Science.gov (United States)

    Romming, Niklas; Pralow, Henning; Kubetzka, André; Hoffmann, Markus; von Malottki, Stephan; Meyer, Sebastian; Dupé, Bertrand; Wiesendanger, Roland; von Bergmann, Kirsten; Heinze, Stefan

    2018-05-01

    Using spin-polarized scanning tunneling microscopy and density functional theory we demonstrate the occurrence of a novel type of noncollinear spin structure in Rh /Fe atomic bilayers on Ir(111). We find that higher-order exchange interactions depend sensitively on the stacking sequence. For fcc-Rh /Fe /Ir (111 ) , frustrated exchange interactions are dominant and lead to the formation of a spin spiral ground state with a period of about 1.5 nm. For hcp-Rh /Fe /Ir (111 ) , higher-order exchange interactions favor an up-up-down-down (↑↑↓↓) state. However, the Dzyaloshinskii-Moriya interaction at the Fe /Ir interface leads to a small angle of about 4° between adjacent magnetic moments resulting in a canted ↑↑↓↓ ground state.

  17. Chaotic state to self-organized critical state transition of serrated flow dynamics during brittle-to-ductile transition in metallic glass

    Energy Technology Data Exchange (ETDEWEB)

    Wang, C.; Wang, W. H.; Bai, H. Y., E-mail: hybai@aphy.iphy.ac.cn [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Sun, B. A. [Centre for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, City University of Hong Kong, Kowloon Tong, Kowloon (Hong Kong)

    2016-02-07

    We study serrated flow dynamics during brittle-to-ductile transition induced by tuning the sample aspect ratio in a Zr-based metallic glass. The statistical analysis reveals that the serrated flow dynamics transforms from a chaotic state characterized by Gaussian-distribution serrations corresponding to stick-slip motion of randomly generated and uncorrelated single shear band and brittle behavior, into a self-organized critical state featured by intermittent scale-free distribution of shear avalanches corresponding to a collective motion of multiple shear bands and ductile behavior. The correlation found between serrated flow dynamics and plastic deformation might shed light on the plastic deformation dynamic and mechanism in metallic glasses.

  18. Cross section for the 103Rh(n,n')103Rhm reaction in the energy range 5.7 endash 12 MeV

    International Nuclear Information System (INIS)

    Miah, M.M.; Strohmaier, B.; Vonach, H.; Mannhart, W.; Schmidt, D.

    1996-01-01

    The 103 Rh(n,n ' ) 103 Rh m cross section was measured by the activation method in the neutron energy range 5.7 endash 12 MeV with an uncertainty of ≅5%. Monoenergetic neutrons produced by the D(d,n) 3 He reaction were used to irradiate metallic Rh samples at 0 degree relative to the deuteron beam. The K x rays from 103 Rh m were measured with a calibrated Si detector, and the neutron fluence was determined by means of a 238 U fission chamber. The measured cross sections resolve the discrepancies in previous data and agree with the results of recent statistical model calculations of the fast-neutron cross sections of rhodium. copyright 1996 The American Physical Society

  19. Partitioning of rhodium and ruthenium between Pd–Rh–Ru and (Ru,Rh)O{sub 2} solid solutions in high-level radioactive waste glass

    Energy Technology Data Exchange (ETDEWEB)

    Sugawara, Toru, E-mail: toru@gipc.akita-u.ac.jp [Center for Engineering Science, Akita University, 1-1, Tegatagakuenmachi, Akita City, Akita 010-8502 (Japan); Ohira, Toshiaki [Center for Engineering Science, Akita University, 1-1, Tegatagakuenmachi, Akita City, Akita 010-8502 (Japan); Komamine, Satoshi; Ochi, Eiji [Research and Development Department, Reprocessing Business Division, Japan Nuclear Fuel Limited, 4-108, Okitsuke, Obuchi, Rokkasho-mura, Aomori 039-3212 (Japan)

    2015-10-15

    The partitioning of rhodium and ruthenium between Pd–Rh–Ru alloy with a face-centered cubic (FCC) structure and (Ru,Rh)O{sub 2} solid solution has been investigated between 1273 and 1573 K at atmospheric oxygen fugacity. The rhodium and ruthenium contents in FCC increase, while the RhO{sub 2} content in (Ru,Rh)O{sub 2} decreases with increasing temperature due to progressive reduction of the system. Based on the experimental results and previously reported thermodynamic data, the thermodynamic mixing properties of FCC phase and (Ru,Rh)O{sub 2} have been calibrated in an internally consistent manner. Phase equilibrium of platinum grope metals in an HLW glass was calculated by using the obtained thermodynamic parameters.

  20. Social Crowding during Development Causes Changes in GnRH1 DNA Methylation.

    Science.gov (United States)

    Alvarado, Sebastian G; Lenkov, Kapa; Williams, Blake; Fernald, Russell D

    2015-01-01

    Gestational and developmental cues have important consequences for long-term health, behavior and adaptation to the environment. In addition, social stressors cause plastic molecular changes in the brain that underlie unique behavioral phenotypes that also modulate fitness. In the adult African cichlid, Astatotilapia burtoni, growth and social status of males are both directly regulated by social interactions in a dynamic social environment, which causes a suite of plastic changes in circuits, cells and gene transcription in the brain. We hypothesized that a possible mechanism underlying some molecular changes might be DNA methylation, a reversible modification made to cytosine nucleotides that is known to regulate gene function. Here we asked whether changes in DNA methylation of the GnRH1 gene, the central regulator of the reproductive axis, were altered during development of A. burtoni. We measured changes in methylation state of the GnRH1 gene during normal development and following the gestational and developmental stress of social crowding. We found differential DNA methylation within developing juveniles between 14-, 28- and 42-day-old. Following gestational crowding of mouth brooding mothers, we saw differential methylation and transcription of GnRH1 in their offspring. Taken together, our data provides evidence for social control of GnRH1 developmental responses to gestational cues through DNA methylation.

  1. Biomagnification of some heavy and essential metals in sediments, fishes and crayfish from Ondo State coastal region, Nigeria

    International Nuclear Information System (INIS)

    Asaolu, S.S.; Olaofe, O.

    2005-01-01

    The bio magnifications levels of some essential (Fe, Zn, Cu) and toxic metals (Pb, Ni, Cd, Cr, Co, Mn) were determined in sediments, three kinds of fish (Oreochromis niloticus, Synodonthis sp., and Clarias gariepinus) and crayfish from the Ondo State coastal region. The metal bio magnification in the fish and crayfish was several times greater than in water, while that in the sediments was several thousand-folds greater than in both the organisms and water. Among the metals examined in water, Fe was the most abundant with average values of 146.7 and 74.3 mg/1, respectively, for wet and dry seasons, while Co was the least with average values of 2.4 and 1.6 mg/1. In the sediments, concentrations of Pb, Ni, Fe, Cr, Co and Mn in the wet season were relatively higher than those obtained for the dry season. Fe with an average of 50.9 mg/kg in C, gariepinus was the most abundant metal in the fish samples, while Cu with an average value of 0.3 mg/kg in O. niloticus was the least. The metal bio magnification for most of the metals for both seasons was found to vary widely from one location to the other. This was confirmed by the coefficient of variation that ranged from 31% to 144% and 29% to 130% in the wet and dry seasons, respectively. The present study has shown that fish, crayfish and sediments can be used to monitor the pollution level of metals in the Nigerian coastal water. (author)

  2. Rh Factor: How It Can Affect Your Pregnancy

    Science.gov (United States)

    ... father or the mother. Can the Rh factor cause problems during pregnancy? Yes. During pregnancy, problems can occur if you ... can die from anemia. Can the Rh factor cause problems during my first pregnancy? Health problems usually do not occur during an ...

  3. Photoelectrochemical properties of LaRhO3

    International Nuclear Information System (INIS)

    Viswanathan, B.; Narayanan, S.R.; Viswanath, R.P.; Varadrajan, T.K.

    1982-01-01

    The photoelectrochemical properties of LaRhO 3 at different values of pH were studied by current-voltage measurements and cyclic voltammetry and the results obtained are compared with those obtained for LaRhO 3 , a potential photoelectrode. (author)

  4. GnRH injection before artificial insemination (AI) alters follicle ...

    African Journals Online (AJOL)

    STORAGESEVER

    2009-08-04

    Aug 4, 2009 ... releasing hormone (GnRH) injection on day 6 of the estrous cycle. The estrous cycles ... follicle at the time of GnRH injection (Silcox et al., 1993;. Twagiramungu .... Waves and their Effect on pregnancy rate in the Cow. Reprod.

  5. Recovery and use of fission product noble metals

    International Nuclear Information System (INIS)

    Jensen, G.A.; Rohmann, C.A.; Perrigo, L.D.

    1980-06-01

    Noble metals in fission products are of strategic value. Market prices for noble metals are rising more rapidly than recovery costs. A promising concept has been developed for recovery of noble metals from fission product waste. Although the assessment was made only for the three noble metal fission products (Rh, Pd, Ru), there are other fission products and actinides which have potential value

  6. Concept design on RH maintenance of CFETR Tokamak reactor

    International Nuclear Information System (INIS)

    Song, Yuntao; Wu, Songtao; Wan, Yuanxi; Li, Jiangang; Ye, Minyou; Zheng, Jinxing; Cheng, Yong; Zhao, Wenlong; Wei, Jianghua

    2014-01-01

    Highlights: •We discussed the concept design of the RH maintenance system based on the main design work of the key components for CFETR. •The main design work for RH maintenance in this paper was carried out including the divertor RH system, the blanket RH system and the transfer cask system. •The technical problems encountered in the design process were discussed. •The present concept design of remote maintenance system in this paper can meet the physical and engineering requirement of CFETR. -- Abstract: CFETR which stands for Chinese Fusion Engineering Testing Reactor is a superconducting Tokamak device. The concept design on RH maintenance of CFETR has been done in the past year. It is known that, the RH maintenance is one of the most important parts for Tokamak reactor. The fusion power was designed as 50–200 MW and its duty cycle time (or burning time) was estimated as 30–50%. The center magnetic field strength on the TF magnet is 5.0 T, the maximum capacity of the volt seconds provided by center solenoid winding will be about 160 VS. The plasma current will be 10 MA and its major radius and minor radius is 5.7 m and 1.6 m respectively. All the components of CFETR which provide their basic functions must be maintained and inspected during the reactor lifetime. Thus, the remote handling (RH) maintenance system should be a key component, which must be detailedly designed during the concept design processing of CFETR, for the operation of reactor. The main design work for RH maintenance in this paper was carried out including the divertor RH system, the blanket RH system and the transfer cask system. What is more, the technical problems encountered in the design process will also be discussed

  7. Electronic states of Ca/PC61BM: Mechanism of low work function metal as interfacial material

    Directory of Open Access Journals (Sweden)

    Ying-Ying Du

    2018-03-01

    Full Text Available We have studied the electronic states at Ca/PC61BM interface using photoemission spectroscopy. It is found that the state of unoccupied molecular orbitals of the top molecular layer (TML becomes occupied by the electrons transferred from the Ca atoms. The work function of the heavily doped TML of PC61BM film is smaller than that of metal Ca, and thus the contact between the TML and metal Ca is Ohmic. A transition layer (TL of several molecular layers forms beneath the TML due to the diffusion of the Ca atoms. The TL is conductive and aligns its Fermi level with the negative integer charge transfer level of the interior PC61BM. The built-in electric field in the TL facilitates the electron transport from the interior of the PC61BM film to the TML.

  8. Free Vibration Analysis of Fiber Metal Laminate Annular Plate by State-Space Based Differential Quadrature Method

    Directory of Open Access Journals (Sweden)

    G. H. Rahimi

    2014-01-01

    Full Text Available A three-dimensional elasticity theory by means of a state-space based differential quadrature method is presented for free vibration analysis of fiber metal laminate annular plate. The kinds of composite material and metal layers are considered to be S2-glass and aluminum, respectively. A semianalytical approach which uses state-space in the thickness and differential quadrature in the radial direction is implemented for evaluating the nondimensional natural frequencies of the annular plates. The influences of changes in boundary condition, plate thickness, and lay-up direction on the natural frequencies are studied. A comparison is also made with the numerical results reported by ABAQUS software which shows an excellent agreement.

  9. GnRH agonist versus GnRH antagonist in in vitro fertilization and embryo transfer (IVF/ET

    Directory of Open Access Journals (Sweden)

    Depalo Raffaella

    2012-04-01

    Full Text Available Abstract Several protocols are actually available for in Vitro Fertilization and Embryo Transfer. The review summarizes the main differences and the clinic characteristics of the protocols in use with GnRH agonists and GnRH antagonists by emphasizing the major outcomes and hormonal changes associated with each protocol. The majority of randomized clinical trials clearly shows that in “in Vitro” Fertilization and Embryo Transfer, the combination of exogenous Gonadotropin plus a Gonadotropin Releasing Hormone (GnRH agonist, which is able to suppress pituitary FSH and LH secretion, is associated with increased pregnancy rate as compared with the use of gonadotropins without a GnRH agonist. Protocols with GnRH antagonists are effective in preventing a premature rise of LH and induce a shorter and more cost-effective ovarian stimulation compared to the long agonist protocol. However, a different synchronization of follicular recruitment and growth occurs with GnRH agonists than with GnRH antagonists. Future developments have to be focused on timing of the administration of GnRH antagonists, by giving a great attention to new strategies of stimulation in patients in which radio-chemotherapy cycles are needed.

  10. Hydrodeoxygenation of Phenol to Benzene and Cyclohexane on Rh(111) and Rh(211) Surfaces: Insights from Density Functional Theory

    DEFF Research Database (Denmark)

    Garcia-Pintos, Delfina; Voss, Johannes; Jensen, Anker Degn

    2016-01-01

    Herein we describe the C-O cleavage of phenol and cyclohexanol over Rh (111) and Rh (211) surfaces using density functional theory calculations. Our analysis is complemented by a microkinetic model of the reactions, which indicates that the C-O bond cleavage of cyclohexanol is easier than that of...

  11. Excited State Dynamics and Semiconductor-to-Metallic Phase Transition of VO2 Thin Film

    National Research Council Canada - National Science Library

    Liu, Huimin

    2004-01-01

    .... Vanadium dioxide shows an ultrafast, passive phase transition (PT) from a monoclinic semiconductor phase to a metallic tetragonal rutile structure when the sample temperature is above 68 degrees C...

  12. Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.

    Science.gov (United States)

    Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi

    2017-03-25

    A dihydroxy-substituted benzothienobenzothiophene, BTBT(OH) 2 , was synthesized, and its charge-transfer (CT) salt, β-[BTBT(OH) 2 ] 2 ClO 4 , was successfully obtained. Thanks to the introduced hydroxy groups, a hydrogen-bonded chain structure connecting the BTBT molecules and counter anions was formed in the CT salt, which effectively increases the dimensionality of the electronic structure and consequently leads to a stable metallic state.

  13. Theory of Correlated Pairs of Electrons Oscillating in Resonant Quantum States to Reach the Critical Temperature in a Metal

    OpenAIRE

    Aroche, Raúl Riera; Rosas-Cabrera, Rodrigo Arturo; Burgos, Rodrigo Arturo Rosas; Betancourt-Riera, René; Betancourt-Riera, Ricardo

    2017-01-01

    The formation of Correlated Electron Pairs Oscillating around the Fermi level in Resonant Quantum States (CEPO-RQS), when a metal is cooled to its critical temperature T=Tc, is studied. The necessary conditions for the existence of CEPO-RQS are analyzed. The participation of electron-electron interaction screened by an electron dielectric constant of the form proposed by Thomas Fermi is considered and a physical meaning for the electron-phonon-electron interaction in the formation of the CEPO...

  14. Fuzzy logic modeling of bioaccumulation pattern of metals in coastal biota of Ondo State, Nigeria.

    Science.gov (United States)

    Agunbiade, Foluso O; Olu-Owolabi, Bamidele I; Adebowale, Kayode O

    2012-01-01

    The accumulation patterns of ten metals in tissues of plant, Eichornia crassipes, and fishes, Hydrocynus forskahlii and Oreochromis mossambicus, were modeled with simple fuzzy classification (SFC) to assess toxic effects of anthropogenic activities on the coastal biota. The plant sample was separated into root, stem, and leaves and the fishes into bones, internal tissues, and muscles. They were analyzed for As, Cd, Cr, Cu, Ni, Pb, V, Fe, Mn, and Zn after wet oxidation of their dried samples. The results were converted into membership functions of five accumulation classes and aggregated with SFC. The classification results showed that there was no metal accumulation in the plant parts while the fishes were classified into low accumulation category. The internal tissues of the fishes had higher metal accumulation than the other parts. Generally, Fe and Mn had highest concentrations in the biota but are natural to the area and may not constitute significant risk. Cr had the highest transfer and accumulation from the coastal water into the aquatic lives and may be indicative of risk prone system being a toxic metal. Metal contaminations in the zone had not significantly accumulated in the biota making them less prone to risk associated with metal accumulation.

  15. γ-detected NMR of sup(103m)RhFe

    International Nuclear Information System (INIS)

    Kempter, H.; Klein, E.

    1977-01-01

    Using the method of γ-detection, the NMR in the metastable 40 keV-state of 103 Rh in Fe (thin foils with diffused 103 Pd activity) was measured in external fields of 0.5 to 14 kG. We find a zero-field resonance frequency of ν 0 = (550.3 +- 0.5) MHz and a slope of dν/dH = -(0.933 +- 0.017) MHz/kG, yielding g = 1.22 +- 0.02. The resulting value for the hyperfine field, Hsub(hf) = (590 +- 10) kG, is inconsistent with that of an NMR measurement in the ground state of 103 Rh. Possible reasons for this discrepancy are discussed. (orig.) [de

  16. Cerium valence change in the solid solutions Ce(Rh1-xRux)Sn

    International Nuclear Information System (INIS)

    Niehaus, Oliver; Riecken, Jan F.; Winter, Florian; Poettgen, Rainer; Muenster Univ.; Abdala, Paula M.; Chevalier, Bernard

    2013-01-01

    The solid solutions Ce(Rh 1-x Ru x )Sn were investigated by means of susceptibility measurements, specific heat, electrical resistivity, X-ray absorption spectroscopy (XAS), and 119 Sn Moessbauer spectroscopy. Magnetic measurements as well as XAS data show a cerium valence change in dependence on the ruthenium content. Higher ruthenium content causes an increase from 3.22 to 3.45 at 300 K. Furthermore χ and χ -1 data indicate valence fluctuation for cerium as a function of temperature. For example, Ce(Rh 0.8 Ru 0.2 )Sn exhibits valence fluctuations between 3.42 and 3.32 in the temperature range of 10 to 300 K. This could be proven by using the interconfiguration fluctuation (ICF) model introduced by Sales and Wohlleben. Cerium valence change does not influence the tin atoms as proven by 119 Sn Moessbauer spectroscopy, but it influences the electrical properties. Ce(Rh 0.9 Ru 0.1 )Sn behaves like a typical valence fluctuating compound, and higher ruthenium content causes an increase of the metallic behavior. (orig.)

  17. 211At-Rh(16-S4-diol) complex as a precursor for astatine radiopharmaceuticals

    International Nuclear Information System (INIS)

    Pruszynski, M.; Bilewicz, A.

    2006-01-01

    211 At is one of the most promising radionuclides in α-radioimmunotherapy (α-RIT). Unfortunately, biomolecules labeled by direct electrophilic astatination are unstable due to the rapid loss of 211 At under both in vitro and in vivo conditions. The present paper describes the results of our studies on attaching At - to the rhodium(III) complex with thioether ligand: 1,5,9,13-etrathiacyclohexadecane-3,11-diol (16-S4-diol). Rh 3+ was chosen as a moderately soft metal cation which should form very strong bonds with soft At - anions, but first of all because of the kinetic inertness of low spin rhodium(III) d 6 complexes. The 16-S4-diol ligand was selected due to formation of stable complexes with Rh 3+ . The experiments related to optimization of the reaction conditions were performed with the 131 I, basing on a chemical similarity of I - to At - . The experiments with 211 At were then carried out under the conditions found optimal for I - . The preliminary results are promising, and indicate a possibility for astatination of biomolecules by using the 211 At-Rh(16-S4-diol) complex

  18. Phenomenological theory of the normal and superconductive states of Cu-O and Bi-O metals

    International Nuclear Information System (INIS)

    Varma, C.M.

    1991-01-01

    The universal normal state anomalies in the CuO metals follow from a marginal Fermi liquid hypothesis: there exists a contribution to the polarizability over most of momentum space proportional to omega/T for omega/T much less than 1 and constant thereafter up to a cutoff omega(sub c). Using the same excitation spectrum, the properties of the superconductive state were calculated. The right order of T(sub c) can be obtained, the zero temperature gap, 2 delta (0)/T(sub c) and the nuclear relaxation rate near T(sub c). The possible microscopic physics leading to the marginal Fermi liquid hypothesis is discussed

  19. The H II galaxy Hubble diagram strongly favours Rh = ct over ΛCDM

    Science.gov (United States)

    Wei, Jun-Jie; Wu, Xue-Feng; Melia, Fulvio

    2016-12-01

    We continue to build support for the proposal to use H II galaxies (HIIGx) and giant extragalactic H II regions (GEHR) as standard candles to construct the Hubble diagram at redshifts beyond the current reach of Type Ia supernovae. Using a sample of 25 high-redshift HIIGx, 107 local HIIGx, and 24 GEHR, we confirm that the correlation between the emission-line luminosity and ionized-gas velocity dispersion is a viable luminosity indicator, and use it to test and compare the standard model ΛCDM and the Rh = ct universe by optimizing the parameters in each cosmology using a maximization of the likelihood function. For the flat ΛCDM model, the best fit is obtained with Ω _m= 0.40_{-0.09}^{+0.09}. However, statistical tools, such as the Akaike (AIC), Kullback (KIC) and Bayes (BIC) Information Criteria favour Rh = ct over the standard model with a likelihood of ≈94.8-98.8 per cent versus only ≈1.2-5.2 per cent. For wCDM (the version of ΛCDM with a dark-energy equation of state wde ≡ pde/ρde rather than wde = wΛ = -1), a statistically acceptable fit is realized with Ω _m=0.22_{-0.14}^{+0.16} and w_de= -0.51_{-0.25}^{+0.15} which, however, are not fully consistent with their concordance values. In this case, wCDM has two more free parameters than Rh = ct, and is penalized more heavily by these criteria. We find that Rh = ct is strongly favoured over wCDM with a likelihood of ≈92.9-99.6 per cent versus only 0.4-7.1 per cent. The current HIIGx sample is already large enough for the BIC to rule out ΛCDM/wCDM in favour of Rh = ct at a confidence level approaching 3σ.

  20. Impact of the structural state on the mechanical properties in a Zr–Co–Al bulk metallic glass

    International Nuclear Information System (INIS)

    Qiao, J.C.; Pelletier, J.M.; Esnouf, C.; Liu, Y.; Kato, H.

    2014-01-01

    Highlights: • Atomic mobility in metallic glass was studied by DMA, HRTEM and nanoindentation. • Physical ageing and crystallization reduce the atomic mobility. • Plastic deformation, i.e. cold-rolling enhances the atomic mobility. • Atomic mobility in glassy materials can be described by quasi-point defects model. - Abstract: This paper reports on the use of differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA) and nanoindentation technique to investigate atomic mobility in Zr 56 Co 28 Al 16 bulk metallic glass in the as-cast state, after thermal annealing and after cold rolling. From the DMA results together with nanoindentation data point of view, the atomic mobility is significantly modified by the thermo-mechanical history. On the one hand, atomic mobility in bulk metallic glass is reduced after physical aging or crystallization. On the other hand, the atomic mobility in metallic glass is enhanced by cold rolling. To analyze the atomic mobility in amorphous materials, a physical theory is introduced. This model invoked the concept of quasi-point defects, which correspond to the density fluctuations in the glassy materials. Correlated movements of atoms are assisted by these quasi-point defects and the correlation factor χ is connected to the concentration of these “defects” in metallic glasses: (i) physical aging and crystallization decreases the parameter χ and (ii) the concentration of defects augments via plastic deformation (i.e. cold-rolling), suggesting that the correlation factor χ reflects the atomic mobility for glassy materials in a quantitative manner. This correlation bridges the gap between the mechanical properties on macroscopic scale and atomic mobility in microstructural regions in metallic glasses

  1. Inert anode containing base metal and noble metal useful for the electrolytic production of aluminum

    Science.gov (United States)

    Ray, Siba P.; Liu, Xinghua

    2000-01-01

    An inert anode for production of metals such as aluminum is disclosed. The inert anode comprises a base metal selected from Cu and Ag, and at least one noble metal selected from Ag, Pd, Pt, Au, Rh, Ru, Ir and Os. The inert anode may optionally be formed of sintered particles having interior portions containing more base metal than noble metal and exterior portions containing more noble metal than base metal. In a preferred embodiment, the base metal comprises Cu, and the noble metal comprises Ag, Pd or a combination thereof.

  2. Solid state electrolyte composites based on complex hydrides and metal doped fullerenes/fulleranes for batteries and electrochemical applications

    Science.gov (United States)

    Zidan, Ragaiy; Teprovich, Jr., Joseph A.; Colon-Mercado, Hector R.; Greenway, Scott D.

    2018-05-01

    A LiBH4--C60 nanocomposite that displays fast lithium ionic conduction in the solid state is provided. The material is a homogenous nanocomposite that contains both LiBH4 and a hydrogenated fullerene species. In the presence of C60, the lithium ion mobility of LiBH4 is significantly enhanced in the as prepared state when compared to pure LiBH4. After the material is annealed the lithium ion mobility is further enhanced. Constant current cycling demonstrated that the material is stable in the presence of metallic lithium electrodes. The material can serve as a solid state electrolyte in a solid-state lithium ion battery.

  3. Selective interactions among Rh, ABO, and sex ratio of newborns.

    Science.gov (United States)

    Valenzuela, C Y; Walton, R

    1985-01-01

    The hypothesis that the Rh and ABO blood systems behave like the HLA system in relation to mother-conception tolerance-rejection mechanisms was tested in 25,501 mother-infant pairs. According to this hypothesis, heterozygotes carrying a paternal gene that is not present in their mothers should be better tolerated than homozygotes. Significantly more BO infants born to AO mothers. AO infants born to BO mothers, Rh(+) heterozygotes born to Rh(-) mothers, and less significantly AO infants born to OO mothers confirm the hypothesis. Fewer homozygotes occurred in Rh(-) infants born to Rh(+) mothers and in O infants born to non-O mothers. Deviations from the Hardy-Weinberg equilibrium found in the ABO system were modified by the Rh and sex of the infant. These data strongly support the hypothesis that at least two feto-maternal systems influence the destiny of pregnancies: the classical known incompatibility system which operates late in pregnancy and a new one which is based on the induction of maternal tolerance early in pregnancy: maternal tolerance seems to be better elicited by heterozygous eggs or embryos carrying a gene not present in the mother. The data also support the hypothesis that the sex ratio is influenced by feto-maternal tolerance-rejection mechanisms associated with the ABO and Rh systems.

  4. Practice Bulletin No. 181 Summary: Prevention of Rh D Alloimmunization.

    Science.gov (United States)

    2017-08-01

    Advances in the prevention and treatment of Rh D alloimmunization have been one of the great success stories of modern obstetrics. There is wide variation in prevalence rates of Rh D-negative individuals between regions, for example from 5% in India to 15% in North America (1). However, high birth rates in low prevalence areas means Rh hemolytic disease of the newborn is still an important cause of morbidity and mortality in countries without prophylaxis programs (1). In such countries, 14% of affected fetuses are stillborn and one half of live born infants suffer neonatal death or brain injury (1). The routine use of Rh D immune globulin is responsible for the reduced rate of red cell alloimmunization in more economically developed countries. First introduced in the 1970s, the postpartum administration of Rh D immune globulin reduced the rate of alloimmunization in at-risk pregnancies from approximately 13-16% to approximately 0.5-1.8% (2, 3). The risk was further reduced to 0.14-0.2% with the addition of routine antepartum administration (2, 3). Despite considerable proof of efficacy, there are still a large number of cases of Rh D alloimmunization because of failure to follow established protocols. In addition, there are new data to help guide management, especially with regard to weak D phenotype women. The purpose of this document is to provide evidence-based guidance for the management of patients at risk of Rh D alloimmunization.

  5. Practice Bulletin No. 181: Prevention of Rh D Alloimmunization.

    Science.gov (United States)

    2017-08-01

    Advances in the prevention and treatment of Rh D alloimmunization have been one of the great success stories of modern obstetrics. There is wide variation in prevalence rates of Rh D-negative individuals between regions, for example from 5% in India to 15% in North America (1). However, high birth rates in low prevalence areas means Rh hemolytic disease of the newborn is still an important cause of morbidity and mortality in countries without prophylaxis programs (1). In such countries, 14% of affected fetuses are stillborn and one half of live born infants suffer neonatal death or brain injury (1). The routine use of Rh D immune globulin is responsible for the reduced rate of red cell alloimmunization in more economically developed countries. First introduced in the 1970s, the postpartum administration of Rh D immune globulin reduced the rate of alloimmunization in at-risk pregnancies from approximately 13-16% to approximately 0.5-1.8% (2, 3). The risk was further reduced to 0.14-0.2% with the addition of routine antepartum administration (2, 3). Despite considerable proof of efficacy, there are still a large number of cases of Rh D alloimmunization because of failure to follow established protocols. In addition, there are new data to help guide management, especially with regard to weak D phenotype women. The purpose of this document is to provide evidence-based guidance for the management of patients at risk of Rh D alloimmunization.

  6. Superconductivity in ternary rare earth transition metal silicides and germanides with the Sc5Co4Si10-type structure

    International Nuclear Information System (INIS)

    Berg, L.S.

    1986-01-01

    A systematic study of the superconducting and normal state properties of some ternary rare earth transition metal silicides and germanides of the Sc 5 Co 4 Si 10 0-type is reported. Low temperature heat capacity measurements indicate the presence of a complicated phonon density of states in these structurally complex compounds. A better description of the phonon spectrum of the high T/sub c/ materials Sc 5 Rh 4 Si 10 , Sc 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10 , given by a model proposed by Junod et al., is presented and discussed. The large values of ΔC/γ/sub n/T/sub c/ and the electron-phonon coupling constant for these high T/sub c/ compounds indicate that they are strong-coupled superconductors. Relative to other ternary superconductors, many of these materials have large Debye temperatures. DC electrical resistivity measurements on these compounds show resistivity behavior deviating from those exhibited by simple metals. The rho(T) data for Y 5 Ir 4 Si 10 , Lu 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10 , indicate the presence of anomalies. Static molar magnetic susceptibility measurements performed on these compounds indicate (1) a small effective magnetic moment of 0.26μ/sub B/ on the Co atom and (2) anomalous behaviors in the Lu 5 Rh 4 Si 10 , Lu 5 Ir 4 Si 10 , Y 5 Ir 4 Si 10 , Lu 5 Ir 4 Ge 10 , and Y 5 Rh 4 Ge 10 data. Lastly, upper critical magnetic field measurements were performed on Sc 5 Co 4 Si 10 , Sc 5 Rh 4 Si 10 , Sc 5 Ir 4 Si 10 , Lu 5 Rh 4 Si 10 , Lu 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10

  7. Catalytic hydrodechlorination of trichloroethylene in a novel NaOH/2-propanol/methanol/water system on ceria-supported Pd and Rh catalysts.

    Science.gov (United States)

    Cobo, Martha; Becerra, Jorge; Castelblanco, Miguel; Cifuentes, Bernay; Conesa, Juan A

    2015-08-01

    The catalytic hydrodechlorination (HDC) of high concentrations of trichloroethylene (TCE) (4.9 mol%, 11.6 vol%) was studied over 1%Pd, 1%Rh and 0.5%Pd-0.5%Rh catalysts supported on CeO2 under conditions of room temperature and pressure. For this, a one-phase system of NaOH/2-propanol/methanol/water was designed with molar percentages of 13.2/17.5/36.9/27.6, respectively. In this system, the alcohols delivered the hydrogen required for the reaction through in-situ dehydrogenation reactions. PdRh/CeO2 was the most active catalyst for the degradation of TCE among the evaluated materials, degrading 85% of the trichloroethylene, with alcohol dehydrogenation rates of 89% for 2-propanol and 83% for methanol after 1 h of reaction. Fresh and used catalysts were characterized by Transmission Electron Microscopy (TEM), X-ray Photoelectron Spectroscopy (XPS), and Thermogravimetric analysis (TGA). These results showed important differences of the active phase in each catalyst sample. Rh/CeO2 had particle sizes smaller than 1 nm and the active metal was partially oxidized (Rh(0)/Rh(+δ) ratio of 0.43). This configuration showed to be suitable for alcohols dehydrogenation. On the contrary, Pd/CeO2 showed a Pd completed oxidized and with a mean particle size of 1.7 nm, which seemed to be unfavorable for both, alcohols dehydrogenation and TCE HDC. On PdRh/CeO2, active metals presented a mean particle size of 2.7 nm and more reduced metallic species, with ratios of Rh(0)/Rh(+δ) = 0.67 and Pd(0)/Pd(+δ) = 0.28, which showed to be suitable features for the TCE HDC. On the other hand, TGA results suggested some deposition of NaCl residues over the catalyst surfaces. Thus, the new reaction system using PdRh/CeO2 allowed for the degradation of high concentrations of the chlorinated compound by using in situ hydrogen liquid donors in a reaction at room temperature and pressure. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. States and properties of metallic systems at a threshold breakdown of the through holes under power laser action (part 2. Susceptibility

    Directory of Open Access Journals (Sweden)

    Kalashnikov E.

    2016-01-01

    Full Text Available Threshold breakdown of the through holes by power laser radiation of metallic foils is considered as response of metallic system to laser radiation. Binding experimentally determined response to the absolute temperature scale allows to determine the value of the imaginary part of the generalized susceptibility depending on temperature, the critical temperature of the transition “liquid metal - gas”, states of the electronic subsystems at this temperature, and the reflectance coefficient values.

  9. Thomson scattering diagnostics of steady state and pulsed welding processes without and with metal vapor

    International Nuclear Information System (INIS)

    Kühn-Kauffeldt, M; Schein, J; Marqués, J-L

    2015-01-01

    Thomson scattering is applied to measure temperature and density of electrons in the arc plasma of the direct current gas tungsten arc welding (GTAW) process and pulsed gas metal arc welding (GMAW) process. This diagnostic technique allows to determine these plasma parameters independent from the gas composition and heavy particles temperature. The experimental setup is adapted to perform measurements on stationary as well as transient processes. Spatial and temporal electron temperature and density profiles of a pure argon arc in the case of the GTAW process and argon arc with the presence of aluminum metal vapor in the case of the GMAW process were obtained. Additionally the data is used to estimate the concentration of the metal vapor in the GMAW plasma. (fast track communication)

  10. Modeling of Metal Structure Corrosion Damage: A State of the Art Report

    Directory of Open Access Journals (Sweden)

    Francesco Portioli

    2010-07-01

    Full Text Available The durability of metal structures is strongly influenced by damage due to atmospheric corrosion, whose control is a key aspect for design and maintenance of both new constructions and historical buildings. Nevertheless, only general provisions are given in European codes to prevent the effects of corrosion during the lifetime of metal structures. In particular, design guidelines such as Eurocode 3 do not provide models for the evaluation of corrosion depth that are able to predict the rate of thickness loss as a function of different influencing parameters. In this paper, the modeling approaches of atmospheric corrosion damage of metal structures, which are available in both ISO standards and the literature, are presented. A comparison among selected degradation models is shown in order to evaluate the possibility of developing a general approach to the evaluation of thickness loss due to corrosion.

  11. An integrated architecture for the ITER RH control system

    International Nuclear Information System (INIS)

    Hamilton, David Thomas; Tesini, Alessandro

    2012-01-01

    Highlights: ► Control system architecture integrating ITER remote handling equipment systems. ► Standard control system architecture for remote handling equipment systems. ► Research and development activities to validate control system architecture. ► Standardization studies to select standard parts for control system architecture. - Abstract: The ITER remote handling (RH) system has been divided into 7 major equipment system procurements that deliver complete systems (operator interfaces, equipment controllers, and equipment) according to task oriented functional specifications. Each equipment system itself is an assembly of transporters, power manipulators, telemanipulators, vehicular systems, cameras, and tooling with a need for controllers and operator interfaces. From an operational perspective, the ITER RH systems are bound together by common control rooms, operations team, and maintenance team; and will need to achieve, to a varying degree, synchronization of operations, co-operation on tasks, hand-over of components, and sharing of data and resources. The separately procured RH systems must, therefore, be integrated to form a unified RH system for operation from the RH control rooms. The RH system will contain a heterogeneous mix of specially developed RH systems and off-the-shelf RH equipment and parts. The ITER Organization approach is to define a control system architecture that supports interoperable heterogeneous modules, and to specify a standard set of modules for each system to implement within this architecture. Compatibility with standard parts for selected modules is required to limit the complexity for operations and maintenance. A key requirement for integrating the control system modules is interoperability, and no module should have dependencies on the implementation details of other modules. The RH system is one of the ITER Plant systems that are integrated and coordinated through the hierarchical structure of the ITER CODAC system

  12. Influence of Femtosecond Laser Parameters and Environment on Surface Texture Characteristics of Metals and Non-Metals - State of the Art

    Science.gov (United States)

    Bharatish, A.; Soundarapandian, S.

    2018-04-01

    Enhancing the surface functionality by ultrashort pulsed laser texturing has received the considerable attention from researchers in the past few decades. Femtosecond lasers are widely adopted since it provides high repeatability and reproducibility by minimizing the heat affected zone (HAZ) and other collateral damages to a great extent. The present paper reports some recent studies being made worldwide on femtosecond laser surface texturing of metals, ceramics, polymers, semiconductors, thinfilms and advanced nanocomposites. It presents the state of the art knowledge in femtosecond laser surface texturing and the potential of this technology to improve properties in terms of biological, tribological and wetting performance. Since the texture quality and functionality are enhanced by the proper selection of appropriate laser parameters and ambient conditions for individual application, reporting the influence of laser parameters on surface texture characteristics assume utmost importance.

  13. State-of-the-art of furnace recuperation in the primary metals industry: technical briefing report

    Energy Technology Data Exchange (ETDEWEB)

    Moore, N.L.

    1983-08-01

    Existing and emerging recuperator technology is identified, as well as the technical and economic issues in applying such technology. An overview of recuperation and its relevance to the primary metals industry is presented. Design considerations, equipment, and energy and cost savings of five recuperator applications in the primary metals industry are examined. Three applications include a case history of a recent recuperator installation. A cost engineering analysis of recuperator technology is included to ensure that technically feasible engineering projects are also economically attractive business ventures. An overview of emerging recuperation technology is presented.

  14. Molecular analyis of rates of metal reductions and metabolic state of Geobacter species

    International Nuclear Information System (INIS)

    Lovley, Derek R.

    2008-01-01

    This project began with the simple goal of trying to understand the diversity of dissimilatory metal-reducing microorganisms that might be found in subsurface environments. It ended with a sophisticated understanding not only of what microorganisms are important for metal reduction in uranium-contaminated subsurface environments, but also their physiological status during in situ uranium bioremediation. These findings have provided unprecedented insight into uranium bioremediation and the methods by which this process might be optimized. A brief summary of the major accomplishments of the project is given.

  15. Glass-Metal Joining in Nuclear Environment: the State of the Art

    International Nuclear Information System (INIS)

    Jacobs, M.

    2007-01-01

    Full text of publication follows: In the ITER fusion machine and in material testing fission reactors, it is not possible to avoid the use of non-metallic materials like glass for example. There is therefore a need to apply metal to glass joints. This problem arose already at the beginning of the 19. century when the electric light bulb was invented. Nowadays this type of glass-metal joint is very successful and widely used in the electronic industry. In the case of ITER and material testing reactors, glass-metal joints are necessary for the fixation of the optical windows and optical fibres to a metal structure to perform diagnostics. These types of joints are still difficult to make and their behaviour is not fully understood. A joint between glass and metal for a nuclear or fusion application has indeed to resist high temperatures and high neutron fluences, while keeping a good mechanical strength and remaining leak tight. These characteristics are difficult to obtain under these severe conditions. This paper presents an overview of the different joining technologies that can be used to join glass to metal in a severe nuclear environment. The working mechanism of the technologies are explained, together with their respective advantages and drawbacks. Three different types of joining are discussed: fastening, liquid phase joining and solid phase joining. Fastening is a mechanical attachment technique, not achieving easily hermetic seals. Liquid and solid phase joining on the other hand form a real bond, what makes the joint much stronger. The most important technologies using liquid phase joining are adhesive bonding, fusion welding and brazing. In the case of the solid phase joining the choices are ultrasonic torsion welding, diffusion bonding and electrostatic bonding. If it is usually not possible to join the glass directly to the metal, an interlayer must be used. One speaks then of indirect joining. The paper will conclude with a discussion on the best

  16. Modulation of Metal and Insulator States in 2D Ferromagnetic VS2 by van der Waals Interaction Engineering.

    Science.gov (United States)

    Guo, Yuqiao; Deng, Haitao; Sun, Xu; Li, Xiuling; Zhao, Jiyin; Wu, Junchi; Chu, Wangsheng; Zhang, Sijia; Pan, Haibin; Zheng, Xusheng; Wu, Xiaojun; Jin, Changqing; Wu, Changzheng; Xie, Yi

    2017-08-01

    2D transition-metal dichalcogenides (TMDCs) are currently the key to the development of nanoelectronics. However, TMDCs are predominantly nonmagnetic, greatly hindering the advancement of their spintronic applications. Here, an experimental realization of intrinsic magnetic ordering in a pristine TMDC lattice is reported, bringing a new class of ferromagnetic semiconductors among TMDCs. Through van der Waals (vdW) interaction engineering of 2D vanadium disulfide (VS 2 ), dual regulation of spin properties and bandgap brings about intrinsic ferromagnetism along with a small bandgap, unravelling the decisive role of vdW gaps in determining the electronic states in 2D VS 2 . An overall control of the electronic states of VS 2 is also demonstrated: bond-enlarging triggering a metal-to-semiconductor electronic transition and bond-compression inducing metallization in 2D VS 2 . The pristine VS 2 lattice thus provides a new platform for precise manipulation of both charge and spin degrees of freedom in 2D TMDCs availing spintronic applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. The valence state of Yb metal under high pressure determined by XANES measurement up to 34.6 GPa

    International Nuclear Information System (INIS)

    Fuse, Akinori; Nakamoto, Go; Kurisu, Makio; Ishimatsu, Naoki; Tanida, Hajime

    2004-01-01

    The purpose of this study was to accurately determine the valency of Yb at high pressure and room temperature and to clarify the relation between the valence state and the crystal structure of Yb metal. L III -edge X-ray absorption near-edge structure (XANES) spectra were measured to determine the valence state of Yb metal in the pressure range from 0 to 34.6 GPa at room temperature, using a diamond anvil cell (DAC) and synchrotron radiation at SPring-8. In the fcc phase, Yb metal exhibits mixed valence (the mean valence ν-bar >2.1). At the fcc-to-bcc phase transition, a 0.1 jump is found in ν-bar. In the bcc phase, ν-bar(P) is an increasing function of pressure with downward curvature, reaching only 2.55 at 26 GPa. The ν-bar is only 2.65 in the hcp phase at 34.6 GPa. A tendency for saturation in ν-bar(P) to values smaller than 3.0 is found

  18. On the use of atomistic simulations to aid bulk metallic glasses structural elucidation with solid-state NMR.

    Science.gov (United States)

    Ferreira, Ary R; Rino, José P

    2017-08-24

    Solid-state nuclear magnetic resonance (ssNMR) experimental 27 Al metallic shifts reported in the literature for bulk metallic glasses (BMGs) were revisited in the light of state-of-the-art atomistic simulations. In a consistent way, the Gauge-Including Projector Augmented-Wave (GIPAW) method was applied in conjunction with classical molecular dynamics (CMD). A series of Zr-Cu-Al alloys with low Al concentrations were selected as case study systems, for which realistic CMD derived structural models were used for a short- and medium-range order mining. That initial procedure allowed the detection of trends describing changes on the microstructure of the material upon Al alloying, which in turn were used to guide GIPAW calculations with a set of abstract systems in the context of ssNMR. With essential precision and accuracy, the ab initio simulations also yielded valuable trends from the electronic structure point of view, which enabled an overview of the bonding nature of Al-centered clusters as well as its influence on the experimental ssNMR outcomes. The approach described in this work might promote the use of ssNMR spectroscopy in research on glassy metals. Moreover, the results presented demonstrate the possibility to expand the applications of this technique, with deeper insight into nuclear interactions and less speculative assignments.

  19. All-solid-state lithium-ion and lithium metal batteries - paving the way to large-scale production

    Science.gov (United States)

    Schnell, Joscha; Günther, Till; Knoche, Thomas; Vieider, Christoph; Köhler, Larissa; Just, Alexander; Keller, Marlou; Passerini, Stefano; Reinhart, Gunther

    2018-04-01

    Challenges and requirements for the large-scale production of all-solid-state lithium-ion and lithium metal batteries are herein evaluated via workshops with experts from renowned research institutes, material suppliers, and automotive manufacturers. Aiming to bridge the gap between materials research and industrial mass production, possible solutions for the production chains of sulfide and oxide based all-solid-state batteries from electrode fabrication to cell assembly and quality control are presented. Based on these findings, a detailed comparison of the production processes for a sulfide based all-solid-state battery with conventional lithium-ion cell production is given, showing that processes for composite electrode fabrication can be adapted with some effort, while the fabrication of the solid electrolyte separator layer and the integration of a lithium metal anode will require completely new processes. This work identifies the major steps towards mass production of all-solid-state batteries, giving insight into promising manufacturing technologies and helping stakeholders, such as machine engineering, cell producers, and original equipment manufacturers, to plan the next steps towards safer batteries with increased storage capacity.

  20. State of the Science Review: Potential for Beneficial Use of Waste By-Products for In-situ Remediation of Metal-Contaminated Soil and Sediment

    Science.gov (United States)

    Metal and metalloid contamination of soil and sediment is a widespread problem both in urban and rural areas throughout the United States (U.S. EPA, 2014). Beneficial use of waste by-products as amendments to remediate metal-contaminated soils and sediments can provide major eco...

  1. Interface gap states and Schottky barrier inhomogeneity at metal/n-type GaN Schottky contacts

    International Nuclear Information System (INIS)

    Mamor, M

    2009-01-01

    The barrier heights (BH) of various metals including Pd, Pt and Ni on n-type GaN (M/n-GaN) have been measured in the temperature range 80-400 K with using a current-voltage (I-V) technique. The temperature dependence of the I-V characteristics of M/n-GaN have shown non-ideal behaviors and indicate the presence of a non-uniform distribution of surface gap states, resulting from the residual defects in the as grown GaN. The surface gap states density N ss , as well as its temperature dependence were obtained from the bias and temperature dependence of the ideality factor n(V,T) and the barrier height Φ Bn (V,T). Further, a dependence of zero-bias BH Φ 0Bn on the metal work function (Φ m ) with an interface parameter coefficient of proportionality of 0.47 is found. This result indicates that the Fermi level at the M/n-GaN interface is unpinned. Additionally, the presence of lateral inhomogeneities of the BH, with two Gaussian distributions of the BH values is seen. However, the non-homogeneous SBH is found to be correlated to the surface gap states density, in that Φ 0Bn becomes smaller with increasing N ss . These findings suggest that the lateral inhomogeneity of the SBH is connected to the non-uniform distribution of the density of surface gap states at metal/GaN which is attributed to the presence of native defects in the as grown GaN. Deep level transient spectroscopy confirms the presence of native defects with discrete energy levels at GaN and provides support to this interpretation.

  2. Development of solid-state joining technology of dissimilar metals using amorphous metastable alloy powders

    International Nuclear Information System (INIS)

    Lee, Min Ku; Rhee, Chang Kyu; Uhm, Young Rang; Park, Jin Ju; Lee, Jeong Gu; Kim, Gwang Ho; Hong, Sung Mo; Lee, Jong Geuk; Kim, Kyoung Ho

    2007-04-01

    Many nuclear components such as nozzles, steam generator, pipes, condensers, and heat exchangers require a realization of the reliable and high-performance joining or welding between the dissimilar metals or alloys, despite the fact that their melting points, thermal expansion coefficients and physical properties are quite different from each other. The conventional arc welding processes (SMAW, TIG), however, which is currently used as a welding process for NPP components, have not met the requirements of obtaining a reliable and high-quality dissimilar joints, as demonstrated from a number of the previously reported accidents or material failures in the welded joints. This originates from the various weaknesses of the arc welding processes (more than 1700 .deg. C) such as high residual stresses which is sensitive to SCC, porous or deformed joint structures, a formation of grain-coarsened HAZ and an induced degradation of the base metals in the vicinity of the joint. Moreover, they are not applicable to a joining of the dissimilar metals when their melting point or mechanical/physical properties are quite different. In this research, the low-temperature joining (700 .deg. C - 800 .deg. C) and simultaneously strong diffusion bonding technologies between the dissimilar Ti and Cu metals have been developed for the applications to the dissimilar joints of various nuclear tube components

  3. Metallic lithium: state-of-art, production and perspectives for the Brazil

    International Nuclear Information System (INIS)

    Ogasawara, Tsuneharu; Almendra, Ericksson Rocha e; Silva, Flavio Teixeira da

    1995-01-01

    After consideration on the main lithium minerals, the metallic lithium production by lithium chloride in molten salts is reviewed. The perspective and the strategic relevance for the Brazil are examined, taking into consideration the various applications, specifically high energy density batteries with emphasis on thermal batteries, and batteries operating at ambient temperature

  4. Role of carboxylate ion and metal oxidation state on the morphology ...

    Indian Academy of Sciences (India)

    Wintec

    obtained by hydrothermal method have been re- ported.1,2 Kinetic analysis on the thermal decompo- sition of transition metal succinates obtained by co- precipitation method has also been reported,3 which led to either single crystalline (0⋅01 mm) or micron- sized polycrystalline materials. We have been inter- ested in the ...

  5. On the positron-trapping states of metal mono-vacancies

    International Nuclear Information System (INIS)

    Sankar, S.; Iyakutti, K.

    1987-07-01

    A model calculation based on the static dielectric screening theory has been performed to estimate the probable number of positron-trapping levels in metal mono-vacancies and it is shown that there cannot be more than one. (author). 8 refs, 1 tab

  6. Systematic thermodynamic properties of actinide metal-oxygen systems at high temperatures: Emphasis on lower valence states

    International Nuclear Information System (INIS)

    Ackermann, R.J.; Chandrasekharaiah, M.S.

    1975-01-01

    The thermodynamic data for the actinide metals and oxides (thorium to curium ) have been assessed, examined for consistency, and compared with the lanthanides. Correlations relating the enthalpies of formation of the solid oxides with the corresponding aquo ions make possible the estimation of the thermodynamic properties of AmO 2 (s) and Am 2 O 3 (s) which are in accordance with vaporization data. The known thermodynamic properties of the substoichiometric dioxides MOsub(2-x)(s) at high temperatures demonstrate the relative stabilities of valence states less than 4+ and lead to the examination of stability requirements for the sesquioxides M 2 O 3 (s) and the monoxides MO(s). Sequential trends in the gaseous metals, monoxides and dioxides are examined, compared, and contrasted with the lanthanides. (author)

  7. Ground state of the polar alkali-metal-atom-strontium molecules: Potential energy curve and permanent dipole moment

    International Nuclear Information System (INIS)

    Guerout, R.; Aymar, M.; Dulieu, O.

    2010-01-01

    In this study, we investigate the structure of the polar alkali-metal-atom-strontium diatomic molecules as possible candidates for the realization of samples of ultracold polar molecular species not yet investigated experimentally. Using a quantum chemistry approach based on effective core potentials and core polarization potentials, we model these systems as effective three-valence-electron systems, allowing for calculation of electronic properties with full configuration interaction. The potential curve and the permanent dipole moment of the 2 Σ + ground state are determined as functions of the internuclear distance for LiSr, NaSr, KSr, RbSr, and CsSr molecules. These molecules are found to exhibit a significant permanent dipole moment, though smaller than those of the alkali-metal-atom-Rb molecules.

  8. Field-ion microscope studies of the defect structure of the primary state of damage of irradiated metals

    International Nuclear Information System (INIS)

    Seidman, D.N.

    1975-01-01

    A review is presented of field ion microscope applications in studies of point defect distribution in irradiated metals. FIM results on the primary state of radiation damage in neutron and ion-irradiated iridium and tungsten, at both room-temperature and 78 0 K, showed that it consists of: (1) isolated vacancies; (2) depleted zones; (3) compact vacancy clusters of voids; and (4) dislocation loops. The fraction of vacancies stored in the dislocation loops represented a small fraction of the total vacancy concentration; in the case of tungsten it was approximately 10 percent. These FIM observations provide a simple explanation of the low yield-factor, determined by transmission electron microscopy, for a number of ion-irradiated metals

  9. Influence of the Crystal Structure of Titanium Oxide on the Catalytic Activity of Rh/TiO2 in Steam Reforming of Propane at Low Temperature.

    Science.gov (United States)

    Yu, Lin; Sato, Katsutoshi; Toriyama, Takaaki; Yamamoto, Tomokazu; Matsumura, Syo; Nagaoka, Katsutoshi

    2018-05-01

    Solid oxide fuel cells (SOFCs) using liquefied petroleum gas(LPG) reduce CO2 emissions due to their high energy-conversion efficiency. Although SOFCs can convert LPG directly, coking occurs easily by decomposition of hydrocarbons, including C-C bonds on the electrode of fuel cell stacks. It is therefore necessary to develop an active steam pre-reforming catalyst that eliminates the hydrocarbons at low temperature, where waste heat of SOFCs is used. Here we show that the crystal structure of the TiO2 that anchors Rh particles is crucial for catalytic activity of Rh/TiO2 catalysts for propane pre-reforming. Our experimental results revealed that strong metal support interaction (SMSI) induced during H2 pre-reduction were optimized over Rh/TiO2 with a rutile structure; this catalyst catalyzed the reaction much more effectively than conventional Rh/γ-Al2O3. In contrast, the SMSI was too strong for Rh/TiO2 with an anatase structure, and the surface of the Rh particles was therefore covered mostly with partially reduced TiO2. The result was very low activity. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Oxidative leaching process with cupric ion in hydrochloric acid media for recovery of Pd and Rh from spent catalytic converters.

    Science.gov (United States)

    Nogueira, C A; Paiva, A P; Oliveira, P C; Costa, M C; da Costa, A M Rosa

    2014-08-15

    The recycling of platinum-group metals from wastes such as autocatalytic converters is getting growing attention due to the scarcity of these precious metals and the market pressure originated by increase of demand in current and emerging applications. Hydrometallurgical treatment of such wastes is an alternative way to the most usual pyrometallurgical processes based on smelter operations. This paper focuses on the development of a leaching process using cupric chloride as oxidising agent, in HCl media, for recovery of palladium and rhodium from a spent catalyst. The chloride media allows the adequate conditions for oxidising and solubilising the metals, as demonstrated by equilibrium calculations based on thermodynamic data. The experimental study of the leaching process revealed that Pd solubilisation is clearly easier than that of Rh. The factors temperature, time, and HCl and Cu(2+) concentrations were significant regarding Pd and Rh leaching, the latter requiring higher factor values to achieve the same results. Leaching yields of 95% Pd and 86% Rh were achieved under optimised conditions (T = 80 °C, t = 4h, [HCl] = 6M, [Cu(2+)] = 0.3M). Copyright © 2014 Elsevier B.V. All rights reserved.

  11. RhD Specific Antibodies Are Not Detectable in HLA-DRB11501* Mice Challenged with Human RhD Positive Erythrocytes

    Directory of Open Access Journals (Sweden)

    Lidice Bernardo

    2014-01-01

    Full Text Available The ability to study the immune response to the RhD antigen in the prevention of hemolytic disease of the fetus and newborn has been hampered by the lack of a mouse model of RhD immunization. However, the ability of transgenic mice expressing human HLA DRB11501* to respond to immunization with purified RhD has allowed this question to be revisited. In this work we aimed at inducing anti-RhD antibodies by administering human RhD+ RBCs to mice transgenic for the human HLA DRB11501* as well as to several standard inbred and outbred laboratory strains including C57BL/6, DBA1/J, CFW(SW, CD1(ICR, and NSA(CF-1. DRB11501* mice were additionally immunized with putative extracellular immunogenic RhD peptides. DRB11501* mice immunized with RhD+ erythrocytes developed an erythrocyte-reactive antibody response. Antibodies specific for RhD could not however be detected by flow cytometry. Despite this, DRB11501* mice were capable of recognizing immunogenic sequences of Rh as injection with Rh peptides induced antibodies reactive with RhD sequences, consistent with the presence of B cell repertoires capable of recognizing RhD. We conclude that while HLA DRB11501* transgenic mice may have the capability of responding to immunogenic sequences within RhD, an immune response to human RBC expressing RhD is not directly observed.

  12. Methanol electro-oxidation and direct methanol fuel cell using Pt/Rh and Pt/Ru/Rh alloy catalysts

    International Nuclear Information System (INIS)

    Choi, Jong-Ho; Park, Kyung-Won; Park, In-Su; Nam, Woo-Hyun; Sung, Yung-Eun

    2004-01-01

    Pt-based binary or ternary catalysts containing Rh for use as anodes in direct methanol fuel cells (DMFC) were synthesized by borohydride reduction method combined with freeze-drying. The resulting catalysts had a specific surface area of approximately 65-75 m 2 /g. X-ray diffraction (XRD) patterns indicated that the catalysts were well alloyed and the average size of alloy catalysts was confirmed by transmission electron microscopy (TEM). The Pt/Rh (2:1) and Pt/Ru/Rh (5:4:1) alloy catalysts showed better catalytic activities for methanol electro-oxidation than Pt or Pt/Ru (1:1), respectively

  13. A Radiation Hardened Housekeeping Slave Node (RH-HKSN) ASIC

    Data.gov (United States)

    National Aeronautics and Space Administration — This projects seeks to continue the development of the Radiation Hardened Housekeeping Slave Node (RH-HKSN) ASIC. The effort has taken parallel paths by implementing...

  14. Comparative frequency and allelic distribution of ABO and Rh (D ...

    African Journals Online (AJOL)

    Gourab Dewan

    2015-02-18

    Feb 18, 2015 ... desh and having borders with India and Myanmar (Fig. 1). It is a hilly area with ..... calculated allelic frequencies for ABO/Rh systems previously. Therefore, allelic .... in backward caste population of Uttar Pradesh, India. Not Sci.

  15. Frequency distribution 0f ABO, RH blood groups and blood ...

    African Journals Online (AJOL)

    user

    2006-11-16

    Nov 16, 2006 ... blood genotypes among the cell biology and genetics students of ... problem in some pregnancies when the mother is Rh – negative and the foetus ... electrophoresis technique was used to determine haemoglobin genotype.

  16. Ontogenic and sexual differences in pituitary GnRH receptors and intracellular Ca2+ mobilization induced by GnRH.

    Science.gov (United States)

    Lacau-Mengido, I M; González Iglesias, A; Lux-Lantos, V; Libertun, C; Becú-Villalobos, D

    1998-04-01

    The present experiments were designed in order to elucidate the participation of the developing hypophysis in determining the changing sensitivity of gonadotrophins to gonadotropin-releasing hormone (GnRH) during ontogeny in the rat. To that end, we chose two well defined developmental ages that differ markedly in sexual and ontogenic characteristics of hypophyseal sensitivity to GnRH, 15 and 30 d. In order to study sex differences and the role of early sexual organization of the hypothalamus, experiments were carried out in males, females, and neonatally androgenized females (TP females). We evaluated (1) the characteristics of pituitary GnRH receptors, and (2) associated changes in GnRH-induced mobilization of intracellular Ca2+ (a second messenger involved in gonadotropins exocytosis). We measured binding characteristics of the GnRH analog D-Ser(TBu)6-des-Gly10-GnRH ethylamide in pituitary homogenates. We found that Kds did not vary among the different sex groups. Total number and concentration of receptors decreased in the female rat from 15-30 d of age, whereas in the male and TP female, receptors/pituitary increased, and the concentration/mg tissue did not change. Also, at 30 days of age, males presented higher content and concentration of receptors than females, and higher content than TP females. In order to evaluate if developmental and sexual differences in pituitary sensitivity to GnRH might be expressed through variations in the intracellular Ca2+ signal, we studied the mobilization of intracellular Ca2+ induced by GnRH (1 x 10(-8) to 1 x 10(-11) M) in a suspension of dispersed pituitary cells in the six groups. In cells from 15-d-old females, Ca2+ response was greater than in 30-d-old females at the doses of 10(-8) to 10(-10) M, indicating that in the infantile female rat activation of highly concentrated GnRH receptors is reflected in an increase in signal transduction mediated by Ca2+. In males and in female rats androgenized at birth, there was also

  17. Pressure-induced valence change and moderate heavy fermion state in Eu-compounds

    Science.gov (United States)

    Honda, Fuminori; Okauchi, Keigo; Sato, Yoshiki; Nakamura, Ai; Akamine, Hiromu; Ashitomi, Yosuke; Hedo, Masato; Nakama, Takao; Takeuchi, Tetsuya; Valenta, Jaroslav; Prchal, Jiri; Sechovský, Vladimir; Aoki, Dai; Ōnuki, Yoshichika

    2018-05-01

    A pressure-induced valence transition has attracted much attention in Eu-compounds. Among them, EuRh2Si2, EuNi2Ge2, and EuCo2Ge2 reveal the valence transition around 1, 2, and 3 GPa, respectively. We have succeeded in growing single crystals of EuT2X2 (T: transition metal, X: Si, Ge) and studied electronic properties under pressure. EuRh2Si2 indicates a first-order valence transition between 1 and 2 GPa, with a large and prominent hysteresis in the electrical resistivity. At higher pressures, the first-order valence transition changes to a cross-over regime with an intermediate valence state. Tuning of the valence state with pressure is reflected in a drastic change of the temperature dependence of the electrical resistivity in EuRh2Si2 single crystals. Effect of pressure on the valence states on EuRh2Si2, EuIr2Si2, EuNi2Ge2, and EuCo2Ge2, as well as an isostructural related compound EuGa4, are reviewed.

  18. Magnetic and transport properties of Sm7Rh3 single crystal

    International Nuclear Information System (INIS)

    Tsutaoka, Takanori; Noguchi, Daisuke; Nakamori, Yuko; Nakamoto, Go; Kurisu, Makio

    2013-01-01

    A Sm 7 Rh 3 single crystal with Th 7 Fe 3 -type hexagonal structure was grown by the Czochralski method. The magnetic and transport measurements revealed a uniaxial magnetocrystalline anisotropy in the magnetic susceptibility, magnetization and electrical resistivity. Sm 7 Rh 3 was found to exhibit antiferromagnetic transition at T N =54.0 K and another magnetic transition at T t =25.0 K. The specific heat data clearly showed the bulk nature of paramagnetic to ordered magnetic phase transition by the presence of a sharp peak at T N and a small anomaly at T t . The paramagnetic susceptibility does not obey the Curie–Weiss law, attributing to the temperature independent Van Vleck contribution and Pauli paramagnetism of conduction electrons. Metamagnetic phase transitions were observed along the c-axis in the ordered states. The magnetic field H–temperature T phase diagram was constructed. Anisotropic paramagnetic electrical resistivity showed the small negative temperature coefficients

  19. Electrochemical oxidation of ethanol using PtRh/C electrocatalysts in alkaline medium and synthesized by sodium borohydride and alcohol reduction

    International Nuclear Information System (INIS)

    Fontes, Eric Hossein

    2017-01-01

    PtRh/C were prepared by the following atomic proportions: (100,0), (0,100), (90,10), (70,30) and (50,50). The methods employed in the synthesis of these materials were reduction by sodium borohydride and reduction by alcohol. The metal salts used were H 2 PtCl 6 3•6H 2 0 and (RhNO 3 ) 3 , the support used was Carbon black XC72 and the bulk metal composition was 20% and 80% of support. The electrocatalysts were characterized by Energy Dispersive X-ray spectroscopy, X-ray diffraction and Transmission electron microscopy. The ethanol electrochemical oxidation mechanism was investigated by in situ Fourier Transform Infrared Spectroscopy couple to an Attenuated Total Reflection technique. The electrocatalytic activity were evaluated by Cyclic Voltammetry, Linear Sweep Voltammetry and Chronoamperometry techniques. The Fuel Cells tests were made in a single direct alcohol fuel cell with alkaline membrane. The working electrodes were prepared by a thin porous coating technique. X-ray diffraction allowed to verify metallic alloys, segregate phases and to calculate the percentage of metallic alloys. It was else possible to identify crystallographic phases. Infrared Spectroscopy allowed to verify that the electrochemical oxidation of ethanol was carried out by an incomplete mechanism. PtRh(70:30)/C prepared by sodium borohydride produced large amounts of carbon dioxide and acetaldehyde. Rh/C showed electrocatalytic activity when compared with other materials studied.

  20. Determination of some heavy metals in oreochromis niloticus, clarias gariepinus and synodontis spp from the coastal water of Ondo State, Nigeria

    International Nuclear Information System (INIS)

    Asaolu, S.S.

    2002-01-01

    Some heavy metals (Pb, Ni, Fe, Cu, Zn, Cd, Co, Mn, and Cr) were determined in Oreochromis niloticus, Clarias graiepinus and Synodontis spp obtained from the coastal water of Ondo State. All metals examined and detected in all fish samples. Iron, manganese and cadmium were found to be the most abundant metals in the fish samples with an average values of 35.8, 31.3, and 12.5 mg kg-1 respectively. Except for manganese, iron and cadmium, Syndrontis spp has the highest concentration for virtually all the metals under examination. (author)

  1. Regulation versus modulation in GnRH receptor function

    International Nuclear Information System (INIS)

    Zolman, J.C.; Theodoropoulos, T.J.

    1985-01-01

    Serum luteinizing hormone (LH) concentration after exposure to gonadotropin-releasing hormone (GnRH) indicates that an instantaneous increase occurs in the rate of release of LH directly from the anterior pituitary, as measured dynamically during superfusion in vitro. On the other hand, estradiol-17 beta (E2) alone shows no such instantaneous effect on LH release rate (at least for the first four hours), in either physiologic or pharmacologic concentrations. At the same time, brief (ten to 30 minute) exposure of isolated anterior pituitary plasma membranes to physiologic concentrations of E2 significantly alters the binding of a fully biologically active 125 I-GnRH to its plasma membrane receptor protein. In order to characterize the effect of E2 on GnRH binding further, dispersed bovine anterior pituitary cells were preincubated for six hours in the presence or absence of physiologic concentrations of E2 (10(-10)M). Following preincubation in the presence of E2, the cell suspension was incubated for 30 minutes with physiologic concentrations (5 x 10(-11) - 5 x 10(-10)M) of a fully biologically active 125 I-GnRH. The treatment, at least, doubled the number of biologically important high affinity GnRH binding sites (Kd's . 7.5 x -10(-11) - 4.5 x 10(-10)M), and changed the binding capacity of some of the binding sites up to three fold, which altered the cooperativity of GnRH-receptor interaction. Thus, the interaction of E2 with GnRH at the level of GnRH receptor is mandatory for the short-term pituitary effect of E2 on LH release in vitro and in vivo

  2. The Rh allele frequencies in Gaza city in Palestine

    Directory of Open Access Journals (Sweden)

    Skaik Younis

    2011-01-01

    Full Text Available Background: The Rh blood group system is the second most clinically significant blood group system. It includes 49 antigens, but only five (D, C, E, c and e are the most routinely identified due to their unique relation to hemolytic disease of the newborn (HDN and transfusion reactions. Frequency of the Rh alleles showed variation, with regard to race and ethnic. Objectives: The purpose of the study was to document the Rh alleles′ frequencies amongst males (M and females (F in Gaza city in Palestine. Materials and Methods: Two hundred and thirty-two blood samples (110 M and 122 F were tested against monoclonal IgM anti-C,anti-c, anti-E, anti-e and a blend of monoclonal/polyclonal IgM/IgG anti-D. The expected Rh phenotypes were calculated using gene counting method. Results: The most frequent Rh antigen in the total sample was e, while the least frequent was E.The order of the combined Rh allele frequencies in both M and F was CDe > cDe > cde > CdE > cDE > Cde > CDE. A significant difference was reported between M and F regarding the phenotypic frequencies (P < 0.05. However, no significance (P > 0.05 was reported with reference to the observed and expected Rh phenotypic frequencies in either M or F students. Conclusion: It was concluded that the Rh antigens, alleles and phenotypes in Gaza city have unique frequencies, which may be of importance to the Blood Transfusion Center in Gaza city and anthropology.

  3. Activity of PtSnRh/C nanoparticles for the electrooxidation of C1 and C2 alcohols

    Energy Technology Data Exchange (ETDEWEB)

    Teran, Freddy E. [Universite de Poitiers, IC2MP UMR CNRS 7285, ' Equipe E-lyse' , 4 rue Michel Brunet-B27, BP 633, 86022 Poitiers cedex (France); Santos, Deise M. [Departamento de Quimica, CCE-UFES, Av. Fernando Ferrari, 514, Goiabeiras-Vitoria, ES (Brazil); Ribeiro, Josimar, E-mail: josimar.ribeiro@ufes.br [Universite de Poitiers, IC2MP UMR CNRS 7285, ' Equipe E-lyse' , 4 rue Michel Brunet-B27, BP 633, 86022 Poitiers cedex (France); Departamento de Quimica, CCE-UFES, Av. Fernando Ferrari, 514, Goiabeiras-Vitoria, ES (Brazil); Kokoh, Kouakou B. [Universite de Poitiers, IC2MP UMR CNRS 7285, ' Equipe E-lyse' , 4 rue Michel Brunet-B27, BP 633, 86022 Poitiers cedex (France)

    2012-07-01

    A systematic investigation of alcohol adsorption and oxidation on binary and ternary electrocatalysts in acid medium was performed. Binary (PtRh) and ternary (PtRhSn) were prepared by the Pechini modified method on carbon Vulcan XC-72, and different nominal compositions were characterized by energy dispersive X-ray and X-ray diffraction (XRD) techniques. The XRD results showed that the Pt{sub 80}Rh{sub 20}/C and Pt{sub 70}Sn{sub 10}Rh{sub 20}/C electrocatalysts consisted of the Pt displaced phase, suggesting the formation of a solid solution between the metals Pt/Rh and Pt/Sn. Electrochemical investigations on these different electrode materials were carried out as a function of the electrocatalyst composition, in acid medium (0.5 mol dm{sup -3} H{sub 2}SO{sub 4}), and in the absence and presence of different alcohols (methanol, ethanol and ethylene glycol). The electrochemical results obtained at room temperature have shown that the Pt{sub 70}Sn{sub 10}Rh{sub 20}/C catalyst display better catalytic activity for alcohol oxidation compared with the binary catalyst. In situ reflectance infrared spectroscopy measurements have shown that the oxidation of alcohols mentioned produced CO{sub 2} at low potentials indicating that the materials synthesized could be used as efficient anodes in the fuel cell applications. - Highlights: Black-Right-Pointing-Pointer Pt-based catalysts were synthesized by thermal decomposition polymeric precursors. Black-Right-Pointing-Pointer Pt{sub 70}Sn{sub 10}Rh{sub 20}/C displays better catalytic activity for the oxidation of alcohols. Black-Right-Pointing-Pointer The co-catalysts tin and rhodium promote the removal of CO to CO{sub 2} at low potentials. Black-Right-Pointing-Pointer Ethylene glycol is oxidizing strongly to CO{sub 2} at low potentials. Black-Right-Pointing-Pointer Pt{sub 70}Sn{sub 10}Rh{sub 20}/C catalyst is an efficient anode material for a direct alcohol fuel cell.

  4. Metal and trace element sediment assessment from Salto Grande reservoir, Sao Paulo state, Brazil, by instrumental neutron activation analysis

    Energy Technology Data Exchange (ETDEWEB)

    Soares, Walace A.A., E-mail: walace@usp.br [Setor de Analises Toxicologicas. CETESB, Sao Paulo, SP (Brazil); Favaro, Deborah I.T., E-mail: defavaro@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Lab. de Analise por Ativacao com Neutrons

    2011-07-01

    The Salto Grande Reservoir is used for electric generation, irrigation, fish farming, recreation and water supply for the region's cities. The reservoir belongs to the city of Americana, located in on the eastern region of Sao Paulo State, Brazil. It belongs to the Piracicaba River Hydrographic Basin, the second most important economic and populated region and one of the most polluted areas in the State. This basin is located in a highly industrialized and agricultural region. Due to urban, industrial and agricultural activities as well as sewage wastes the water and sediments of this reservoir and surroundings are extremely contaminated, mainly by metals, according to CETESB (Environmental Control Agency of the Sao Paulo State). In order to obtain better information about its sediment contamination the present study reports results of the concentration of some major (Ca, Fe, K and Na), trace (As, Ba, Br, Co, Cr, Cs, Hf, Rb, Sb, Se, Ta, Th, U, Zn and rare earth (Ce, Eu, La, Lu, Nd, Sc, Sm, Tb and Yb)) elements in sediments and Cd, Cr, Cu, Ni and Pb concentration in sediments and water from the Salto Grande Reservoir. Multielementar analysis was carried out by Instrumental Neutron Activation Analysis (INAA). Multielemental concentrations in the sediment samples were compared to NASC (North American Shale Composite) values. The concentration values for metals As, Cd, Cr, Cu, Pb, Ni and Zn were compared to the Canadian Council of Minister of the Environment (CCME) oriented values (TEL and PEL) and adopted by CETESB, (author)

  5. Metal and trace element sediment assessment from Salto Grande reservoir, Sao Paulo state, Brazil, by instrumental neutron activation analysis

    International Nuclear Information System (INIS)

    Soares, Walace A.A.; Favaro, Deborah I.T.

    2011-01-01

    The Salto Grande Reservoir is used for electric generation, irrigation, fish farming, recreation and water supply for the region's cities. The reservoir belongs to the city of Americana, located in on the eastern region of Sao Paulo State, Brazil. It belongs to the Piracicaba River Hydrographic Basin, the second most important economic and populated region and one of the most polluted areas in the State. This basin is located in a highly industrialized and agricultural region. Due to urban, industrial and agricultural activities as well as sewage wastes the water and sediments of this reservoir and surroundings are extremely contaminated, mainly by metals, according to CETESB (Environmental Control Agency of the Sao Paulo State). In order to obtain better information about its sediment contamination the present study reports results of the concentration of some major (Ca, Fe, K and Na), trace (As, Ba, Br, Co, Cr, Cs, Hf, Rb, Sb, Se, Ta, Th, U, Zn and rare earth (Ce, Eu, La, Lu, Nd, Sc, Sm, Tb and Yb)) elements in sediments and Cd, Cr, Cu, Ni and Pb concentration in sediments and water from the Salto Grande Reservoir. Multielementar analysis was carried out by Instrumental Neutron Activation Analysis (INAA). Multielemental concentrations in the sediment samples were compared to NASC (North American Shale Composite) values. The concentration values for metals As, Cd, Cr, Cu, Pb, Ni and Zn were compared to the Canadian Council of Minister of the Environment (CCME) oriented values (TEL and PEL) and adopted by CETESB, (author)

  6. Another way of looking at bonding on bimetallic surfaces: the role of spin polarization of surface metal d states

    International Nuclear Information System (INIS)

    Escano, M C; Nguyen, T Q; Nakanishi, H; Kasai, H

    2009-01-01

    The nature of electronic and chemical properties of an unstrained Pt monolayer on a 3d transition metal substrate, M (M = Cr, Mn, Fe), is studied using spin-polarized density functional theory calculations. High spin polarization of Pt d states is noted, verifying the magnetization induced on Pt, which is observed to be responsible for redirecting the analysis of bond formation on a metal surface towards a different perspective. While the shift in the Pt d band center (the average energy of the Pt d band, commonly used to predict the reactivity of surfaces) does give the expected trend in adsorbate (oxygen) chemisorption energy across the bimetallic surfaces in this work, our results show that for spin-polarized Pt d states, the variation in strength of adsorption with respect to the Fermi level density of states is more predictive of Pt chemisorption properties. Hence, this study introduces a scheme for analyzing trends in reactivity of bimetallic surfaces where adsorption energies are used as reactivity parameters and where spin polarization effects cannot be neglected. (fast track communication)

  7. Metal centre effects on HNO binding in porphyrins and the electronic origin: metal's electronic configuration, position in the periodic table, and oxidation state.

    Science.gov (United States)

    Yang, Liu; Fang, Weihai; Zhang, Yong

    2012-04-21

    HNO binds to many different metals in organometallic and bioinorganic chemistry. To help understand experimentally observed metal centre effects, a quantum chemical investigation was performed, revealing clear general binding trends with respect to metal centre characteristics and the electronic origin for the first time. This journal is © The Royal Society of Chemistry 2012

  8. Complex Metal Hydrides for hydrogen storage and solid-state ion conductors

    DEFF Research Database (Denmark)

    Payandeh GharibDoust, SeyedHosein

    and electricity in batteries. However, both hydrogen and electricity must be stored in a very dense way to be useful, e.g. for mobile applications. Complex metal hydrides have high hydrogen density and have been studied during the past twenty years in hydrogen storage systems. Moreover, they have shown high ionic...... conductivities which promote their application as solid electrolytes in batteries. This dissertation presents the synthesis and characterization of a variety of complex metal hydrides and explores their hydrogen storage properties and ionic conductivity. Five halide free rare earth borohydrides RE(BH4)3, (RE...... = La, Ce, Pr, Nd, Er) have been synthesized, which pave the way for studying the polymorphic transition in these compounds, obtaining new bimetallic borohydrides and designing new reactive hydride composites with improved hydrogen storage capacities. Two novel polymorphs of Pr(BH4)3 are identified...

  9. Assessment of the metals concentration in sediments of Chimaliapan Lagoon, Lerma, Mexico State

    International Nuclear Information System (INIS)

    Perez V, I. A.

    2015-01-01

    The San Pedro Tultepec Lagoon of Quiroga in Lerma, known as Chimaliapan Lagoon is one of the Cienegas of the high course of the Lerma river. Considering that the lagoon is adjacent to an industrial area, have been altered the natural conditions of the channels, degrading the water quality and affecting the systems with different pollution sources, among which are industrial and municipal discharges and runoff of farmland. For this reason was decided to conduct a study in order to assess the concentration of metals in sediments of 4 sites and 4 downloads of the Chimaliapan Lagoon in order to infer the possible natural contributions and/or anthropogenic metals and their impact on both flora and fauna and the population that is supplied with the same, while assessing levels of enrichment of Ti, Cr, Mn, Fe, Cu, Zn and Pb metals as a result of contributions previously mentioned applying the technique of Energy Dispersive X-ray Fluorescence (EDXRF). According to the results by EDXRF, the sediments of the Lagoon assessed with the criterion of the EPA for the disposal of dredged sediments at this site, Mn and Fe only slightly exceed this criterion, then considering the Canadian criteria for the protection of aquatic life OMe, might have slight effects of Cr, Mn, Fe and Cu. Sediment discharges, evaluated with the same criteria indicate that Cr and Pb exceed the limit recommended by the EPA for the disposal of dredged sediments and Cr, Cu and Zn exceed the limit recommended for the protection of aquatic life OMe, noting that these metals may cause slight effects on organisms living in the Lagoon, such as carp and other organisms that live there, causing potential effects on humans through the food chain. (Author)

  10. Plasma spraying of refractory metals and refractory hard materials. State of the art

    International Nuclear Information System (INIS)

    Eschnauer, H.; Lugscheider, E.; Jaeger, D.

    1989-01-01

    Suitable spraying processes for manufacturing refractory metals, refractory hard materials as well as spray materials with refractory components are the VPS- and IPS-spraying techniques. The advantages of these special spraying process variations are described. The reactive spraying materials are systematically organized. The characteristical properties used in purpose of improving the substrate surfaces are explained. Finally some examples of the latest results of research concerning plasma spraying of reactive materials are shown. 16 refs., 10 figs. (Author)

  11. Challenges and issues facing lithium metal for solid-state rechargeable batteries

    Science.gov (United States)

    Mauger, A.; Armand, M.; Julien, C. M.; Zaghib, K.

    2017-06-01

    The commercial use of lithium metal batteries was delayed because of dendrite formation on the surface of the lithium electrode, and the difficulty finding a suitable electrolyte that has both the mechanical strength and ionic conductivity required for solid electrolytes. Recently, strategies have developed to overcome these difficulties, so that these batteries are currently an option for different applications, including electric cars. In this work, we review these strategies, and discuss the different routes that are promising for progress in the near future.

  12. Tailoring the properties of ammine metal borohydrides for solid-state hydrogen storage.

    Science.gov (United States)

    Jepsen, Lars H; Ley, Morten B; Filinchuk, Yaroslav; Besenbacher, Flemming; Jensen, Torben R

    2015-04-24

    A series of halide-free ammine manganese borohydrides, Mn(BH4 )2 ⋅nNH3 , n=1, 2, 3, and 6, a new bimetallic compound Li2 Mn(BH4 )4 ⋅6NH3 , and the first ammine metal borohydride solid solution Mg1-x Mnx (BH4 )2 ⋅6NH3 are presented. Four new crystal structures have been determined by synchrotron radiation powder X-ray diffraction and the thermal decomposition is systematically investigated for all the new compounds. The solid-gas reaction between Mn(BH4 )2 and NH3 provides Mn(BH4 )2 ⋅6NH3 . The number of NH3 per Mn has been varied by mechanochemical treatment of Mn(BH4 )2 ⋅6NH3 -Mn(BH4 )2 mixtures giving rise to increased hydrogen purity for n/m≤1 for M(BH4 )m ⋅nNH3 . The structures of Mg(BH4 )2 ⋅3NH3 and Li2 Mg(BH4 )4 ⋅6NH3 have been revisited and new structural models are presented. Finally, we demonstrate that ammonia destabilizes metal borohydrides with low electronegativity of the metal (χp ∼1.6) are generally stabilized. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Solid-state structure of a degradation product frequently observed on historic metal objects.

    Science.gov (United States)

    Dinnebier, Robert E; Runčevski, Tomče; Fischer, Andrea; Eggert, Gerhard

    2015-03-16

    In the course of the investigation of glass-induced metal corrosion processes, a microcrystalline sodium copper formate hydroxide oxide hydrate, Cu4Na4O(HCOO)8(H2O)4(OH)2, was detected on a series of antique works of art, and its crystal structure was determined ab initio from high-resolution laboratory X-ray powder diffraction data using the method of charge flipping, simulated annealing, and difference-Fourier analysis (P42/n, a = 8.425 109(97) Å, c = 17.479 62(29) Å, V = 1240.747(35) Å(3), Z = 8). In the crystal structure, the metal cations are interconnected in a two-dimensional metal-organic framework via the oxygen atoms of the formate, hydroxide, and oxide anions. Doublets of face-sharing square pyramidal Cu(2+) polyhedra are linked via a single, central oxide oxygen atom to give a paddle-wheel arrangement, while the Na(+) cations are organized in Na2O11 moieties with highly disordered, edge-sharing octahedral coordination. In addition, hydrogen bonding plays an important role in stabilizing the crystal structure.

  14. A Semi-Analytical Extraction Method for Interface and Bulk Density of States in Metal Oxide Thin-Film Transistors.

    Science.gov (United States)

    Chen, Weifeng; Wu, Weijing; Zhou, Lei; Xu, Miao; Wang, Lei; Ning, Honglong; Peng, Junbiao

    2018-03-11

    A semi-analytical extraction method of interface and bulk density of states (DOS) is proposed by using the low-frequency capacitance-voltage characteristics and current-voltage characteristics of indium zinc oxide thin-film transistors (IZO TFTs). In this work, an exponential potential distribution along the depth direction of the active layer is assumed and confirmed by numerical solution of Poisson's equation followed by device simulation. The interface DOS is obtained as a superposition of constant deep states and exponential tail states. Moreover, it is shown that the bulk DOS may be represented by the superposition of exponential deep states and exponential tail states. The extracted values of bulk DOS and interface DOS are further verified by comparing the measured transfer and output characteristics of IZO TFTs with the simulation results by a 2D device simulator ATLAS (Silvaco). As a result, the proposed extraction method may be useful for diagnosing and characterising metal oxide TFTs since it is fast to extract interface and bulk density of states (DOS) simultaneously.

  15. A Semi-Analytical Extraction Method for Interface and Bulk Density of States in Metal Oxide Thin-Film Transistors

    Directory of Open Access Journals (Sweden)

    Weifeng Chen

    2018-03-01

    Full Text Available A semi-analytical extraction method of interface and bulk density of states (DOS is proposed by using the low-frequency capacitance–voltage characteristics and current–voltage characteristics of indium zinc oxide thin-film transistors (IZO TFTs. In this work, an exponential potential distribution along the depth direction of the active layer is assumed and confirmed by numerical solution of Poisson’s equation followed by device simulation. The interface DOS is obtained as a superposition of constant deep states and exponential tail states. Moreover, it is shown that the bulk DOS may be represented by the superposition of exponential deep states and exponential tail states. The extracted values of bulk DOS and interface DOS are further verified by comparing the measured transfer and output characteristics of IZO TFTs with the simulation results by a 2D device simulator ATLAS (Silvaco. As a result, the proposed extraction method may be useful for diagnosing and characterising metal oxide TFTs since it is fast to extract interface and bulk density of states (DOS simultaneously.

  16. Band-gap-confinement and image-state-recapture effects in the survival of anions scattered from metal surfaces

    International Nuclear Information System (INIS)

    Schmitz, Andrew; Shaw, John; Chakraborty, Himadri S.; Thumm, Uwe

    2010-01-01

    The resonant charge transfer process in the collision of hydrogen anions with metal surfaces is described within a single-active-electron wave-packet propagation method. The ion-survival probability is found to be strongly enhanced at two different surface-specific perpendicular velocities of the ion. It is shown that, while the low-velocity enhancement is induced from a dynamical confinement of the ion level inside the band gap, the high-velocity enhancement is due to electron recapture from transiently populated image states. Results are presented for Li(110), Cu(111), and Pd(111) surfaces.

  17. Non-quasiparticle states in a half-metallic ferromagnet with antiferromagnetic s-d(f) interaction.

    Science.gov (United States)

    Irkhin, V Yu

    2015-04-22

    Non-quasiparticle (incoherent) states which play an important role in the electronic structure of half-metallic ferromagnets (HMF) are investigated consistently in the case of antiferromagnetic s-d(f) exchange interaction. Their appropriate description in the limit of strong correlations requires a rearrangement of perturbation series in comparison with the usual Dyson equation. This consideration provides a solution of the Kondo problem in the HMF case and can be important for first-principle HMF calculations performed earlier for ferromagnetic s-d(f) interaction.

  18. Metal recovery from municipal solid waste incineration bottom ash (MSWIBA): state of the art, potential and environmental benefits

    DEFF Research Database (Denmark)

    Allegrini, Elisa; Holtze, Maria S.; Astrup, Thomas Fruergaard

    Incineration has a central role in the waste management system in Denmark (e.g. 52% of the household waste) resulting in approximately 726000t of solid residues each year. However, the targets imposed by the Danish Waste Strategy and the increasing discussions about resource in waste raise an issue...... on resource losses through waste incineration. In this framework, this study provides actual data on the state of the art of the recovery of resource in MSWIBA in Denmark (i.e. metals), on the potential for further recovery and on the environmental benefits or burdens assessed through the Life Cycle...

  19. State of the art and prospective of large scale applications of YBCO thick films grown on metallic substrates

    International Nuclear Information System (INIS)

    Boffa, Vincenzo

    1997-09-01

    In the framework of the high temperature superconducting materials, YBa 2 Cu 3 O 7 (YBCO) shows very interesting intrinsic superconducting transport properties at temperature higher than the liquid nitrogen temperature. These properties are very important in large scale applications: transport of energy, magnets, transformers, etc. Unfortunately the potential of this material cannot be achieved today, since it is very difficult to manufacture YBCO based tapes or cables. In the last years several groups have tried to overcome the problems with new fabrication techniques. In the present report the state of the art and the prospective in the field of YBCO film fabrication on metallic substrates are presented

  20. Amorphous physics and materials: Interstitialcy theory of condensed matter states and its application to non-crystalline metallic materials

    International Nuclear Information System (INIS)

    Khonik, V A

    2017-01-01

    A comprehensive review of a novel promising framework for the understanding of non-crystalline metallic materials, i.e., interstitialcy theory of condensed matter states (ITCM), is presented. The background of the ITCM and its basic results for equilibrium/supercooled liquids and glasses are given. It is emphasized that the ITCM provides a new consistent, clear, and testable approach, which uncovers the generic relationship between the properties of the maternal crystal, equilibrium/supercooled liquid and glass obtained by melt quenching. (topical review)

  1. Sedimentation and contamination patterns of dike systems along the Rhône River (France)

    Science.gov (United States)

    Seignemartin, Gabrielle; Tena, Alvaro; Piégay, Hervé; Roux, Gwenaelle; Winiarski, Thierry

    2017-04-01

    Humans have historically modified the Rhône River, especially in the last centuries. In the 19th century, the river was systematically embanked for flood protection purposes, and works continued along the 20th century with dike system engineering work for navigation. The Rhône was canalised and its historical course by-passed by a series of hydroelectric dams. Besides, industrial activity polluted the river. For example, high levels of PCB's were attributed to the inputs of the heavily industrialized zone downstream from Lyon. During floods, these contaminants, associated with the suspended sediment, were trapped by the engineering works and the floodplain. Currently, a master plan to reactivate the river dynamics in the alluvial margins by removing the groyne-fields and dikes in the by-passed sections is being implemented. Within this context, this work aims to assess historical dynamics of sediment and associated contaminants in the floodplain (e.g. trace metal elements), notably in the dike system, in order to evaluate the contamination risk related to bank protection removal. With this objective, a transversal methodology has been applied coupling GIS diachronic analysis (old maps, bathymetric data, Orthophotos, LIDAR, etc.) to understand the historical floodplain evolution, sediment survey to obtain sediment thickness (metal rod and Ground Penetrating Radar), and sediment sampling (manual auger and core sampling) to obtain the metal element concentrations (X-Ray Fluorescence and Inductively Coupled Plasma Mass Spectrometry). By this way, metal element patterns were defined and used as contamination tracing indicators to apprehend the contamination history but also as geochemical background indicators to define the sediment source influence. We found that sediment temporal patterns are directly related with the by-pass construction year. Spatially, fine sediment deposition predominates in the dike systems, being lower in the floodplain already disconnected in

  2. Recent advances in the 5f-relevant electronic states and unconventional superconductivity of actinide compounds

    International Nuclear Information System (INIS)

    Haga, Yoshinori; Sakai, Hironori; Kambe, Shinsaku

    2007-01-01

    Recent advances in the understanding of the 5f-relevant electronic states and unconventional superconducting properties are reviewed in actinide compounds of UPd 2 Al 3 . UPt 3 , URu 2 Si 2 , UGe 2 , and PuRhGa 5 . These are based on the experimental results carried out on high-quality single crystal samples, including transuranium compounds, which were grown by using combined techniques. The paring state and the gap structure of these superconductors are discussed, especially for the corresponding Fermi surfaces which were clarified by the de Haas-van Alphen experiment and the energy band calculations. A detailed systematic study using the NQR/NMR spectroscopy reveals the d-wave superconductivity in PuRhGa 5 and the difference of magnetic excitations due to the difference of ground states in U-, Np-, and Pu-based AnTGa 5 (T: transition metal) compounds. (author)

  3. Density of interface states, excess capacitance and series resistance in the metal-insulator-semiconductor (MIS) solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Altindal, Semsettin; Tataroglu, Adem; Dokme, Ilbilge [Faculty of Arts and Sciences, Physics Department, Gazi University, 06500, Ankara (Turkey)

    2005-01-31

    Dark and illuminated current-voltage (I-V) characteristics of Al/SiO{sub x}/p-Si metal-insulator-semiconductor (MIS) solar cells were measured at room temperature. In addition to capacitance-voltage (C-V) and conductance-voltage (G-V), characteristics are studied at a wide frequency range of 1kHz-10MHz. The dark I-V characteristics showed non-ideal behavior with an ideal factor of 3.2. The density of interface states distribution profiles as a function of (E{sub ss}-E{sub v}) deduced from the I-V measurements at room temperature for the MIS solar cells on the order of 10{sup 13}cm{sup -2}eV{sup -1}. These interface states were responsible for the non-ideal behavior of I-V, C-V and G-V characteristics. Frequency dispersion in capacitance for MIS solar cells can be interpreted only in terms of interface states. The interface states can follow the a.c. signal and yield an excess capacitance, which depends on the relaxation time of interface states and the frequency of the a.c. signal. It was observed that the excess capacitance C{sub o} caused by an interface state decreases with an increase of frequency. The capacitances characteristics of MIS solar cells are affected not only in interface states but also series resistance. Analysis of this data indicated that the high interface states and series resistance leads to lower values of open-circuit voltage, short-circuit current density, and fill factor. Experimental results show that the location of interface states and series resistance have a significant effect on I-V, C-V and G-V characteristics.

  4. Universal viscosity growth in metallic melts at megabar pressures: the vitreous state of the Earth's inner core

    International Nuclear Information System (INIS)

    Brazhkin, Vadim V; Lyapin, A G

    2000-01-01

    Experimental data on and theoretical models for the viscosity of various types of liquids and melts under pressure are reviewed. Experimentally, the least studied melts are those of metals, whose viscosity is considered to be virtually constant along the melting curve. The authors' new approach to the viscosity of melts involves the measurement of the grain size in solidified samples. Measurements on liquid metals at pressures up to 10 GPa using this method show, contrary to the empirical approach, that the melt viscosity grows considerably along the melting curves. Based on the experimental data and on the critical analysis of current theories, a hypothesis of a universal viscosity behavior is introduced for liquids under pressure. Extrapolating the liquid iron results to the pressures and temperatures at the Earth's core reveals that the Earth's outer core is a very viscous melt with viscosity values ranging from 10 2 Pa s to 10 11 Pa s depending on the depth. The Earth's inner core is presumably an ultraviscous (>10 11 Pa s) glass-like liquid - in disagreement with the current idea of a crystalline inner core. The notion of the highly viscous interior of celestial bodies sheds light on many mysteries of planetary geophysics and astronomy. From the analysis of the pressure variation of the melting and glass-transition temperatures, an entirely new concept of a stable metallic vitreous state arises, calling for further experimental and theoretical study. (reviews of topical problems)

  5. Origins of gonadotropin-releasing hormone (GnRH) in vertebrates: identification of a novel GnRH in a basal vertebrate, the sea lamprey.

    Science.gov (United States)

    Kavanaugh, Scott I; Nozaki, Masumi; Sower, Stacia A

    2008-08-01

    We cloned a cDNA encoding a novel (GnRH), named lamprey GnRH-II, from the sea lamprey, a basal vertebrate. The deduced amino acid sequence of the newly identified lamprey GnRH-II is QHWSHGWFPG. The architecture of the precursor is similar to that reported for other GnRH precursors consisting of a signal peptide, decapeptide, a downstream processing site, and a GnRH-associated peptide; however, the gene for lamprey GnRH-II does not have introns in comparison with the gene organization for all other vertebrate GnRHs. Lamprey GnRH-II precursor transcript was widely expressed in a variety of tissues. In situ hybridization of the brain showed expression and localization of the transcript in the hypothalamus, medulla, and olfactory regions, whereas immunohistochemistry using a specific antiserum showed only GnRH-II cell bodies and processes in the preoptic nucleus/hypothalamus areas. Lamprey GnRH-II was shown to stimulate the hypothalamic-pituitary axis using in vivo and in vitro studies. Lamprey GnRH-II was also shown to activate the inositol phosphate signaling system in COS-7 cells transiently transfected with the lamprey GnRH receptor. These studies provide evidence for a novel lamprey GnRH that has a role as a third hypothalamic GnRH. In summary, the newly discovered lamprey GnRH-II offers a new paradigm of the origin of the vertebrate GnRH family. We hypothesize that due to a genome/gene duplication event, an ancestral gene gave rise to two lineages of GnRHs: the gnathostome GnRH and lamprey GnRH-II.

  6. Physico-chemical and electrochemical characterization of Ti/RhO{sub x}-IrO{sub 2} electrodes using sol-gel technology

    Energy Technology Data Exchange (ETDEWEB)

    Klink, M.J.; Makgae, M.E. [Institute of Molecular Sciences, School of Chemistry, Faculty of Science, University of the Witwatersrand, Private Bag 3, Jorrissen Street, Johannesburg 2050 (South Africa); Crouch, A.M., E-mail: Andrew.Crouch@wits.ac.za [Institute of Molecular Sciences, School of Chemistry, Faculty of Science, University of the Witwatersrand, Private Bag 3, Jorrissen Street, Johannesburg 2050 (South Africa)

    2010-11-01

    Sol-gel technology has been successfully used for the incorporation of RhO{sub x}-IrO{sub 2} on a Ti substrate. RhO{sub x}-IrO{sub 2} was prepared from chloride precursors of Rh and Ir, for surface studies. These metal oxides were then immobilised on solid Ti substrates via dip withdrawal coating methods to form thin films. The Ti/RhO{sub x}-IrO{sub 2} thin films were extensively characterized in terms of surface characterization and chemical composition and used in the oxidation of phenol. Thermo-gravimetric analysis (TGA) determined the calcination temperature at 700 deg. C where no further structural changes occurred due to mass loss. The rhodium oxide showed two-phase formations, RhO{sub 2} and Rh{sub 2}O{sub 3}, which were attributed to high calcinated temperatures compare to one phase IrO{sub 2} which was stable at lower temperatures. The scanning electron microscopy (SEM) showed that the morphology of the film was found to be rough with a grain-like appearance in the 150-nm range. The phase composition of these metal oxides was determined by X-ray diffraction (XRD) technique and found to have crystalline structures. The results obtained from Rutherford backscattering spectrometry (RBS) revealed information regarding the chemical composition of the metal oxides and confirmed the diffusion of Rh and Ir into the Ti substrate. Electrochemical characterization of the Ti/RhO{sub x}-IrO{sub 2} electrode, via cyclic voltammetry (CV), showed distinctive redox peaks: anodic and cathodic peaks associated with the oxidation and reduction of the ferricyanide-ferrocyanide couple was seen at 250 and 100 mV respectively; the peak observed at 1000 mV was associated with oxygen evolution and a broad reductive wave at -600 mV can be ascribed to the Ti/RuO{sub x}-IrO{sub 2} reduction, which proved that the Ti/RhO{sub x}-IrO{sub 2} electrode were electroactive and exhibit fast electrochemistry.

  7. Quantitative determination of charge transfer parameters of photorefractive BaTiO3:Rh from EPR-based defect studies

    International Nuclear Information System (INIS)

    Veber, C; Meyer, M; Schirmer, O F; Kaczmarek, M

    2003-01-01

    Optical absorption bands can be used as fingerprints of defects and their charge states in insulators and semiconductors. On the basis of the photochromicity usually shown by such materials, a method is introduced by which the optical bands are assigned to the defects and their charge states. It is based on simultaneous measurements of the light-induced changes of the optical absorption and of the corresponding EPR signals. Moreover, indirectly optical bands of EPR-silent defects can also be labelled in this way, strongly widening the scope of EPR based defect studies. We apply this method to the infrared-sensitive photorefractive system BaTiO 3 :Rh, where illumination leads to recharging among the valence states Rh 5+ , Rh 4+ and Rh 3+ . The values of all parameters governing the charge transfers responsible are inferred from the magnitude of the absorption bands, the absolute determination of their absorption cross-sections and the kinetics of the absorption changes under illumination. In contrast to previous investigations, these parameters are deduced independently of photorefractive measurements

  8. Effects of noble-metal ion implantation on corrosion inhibition and charge injection capability of surgical Ti and Ti-6Al-4V

    International Nuclear Information System (INIS)

    Lee, I.S.

    1989-01-01

    Studies are described involving effects of noble-metal ion implantation on corrosion inhibition and charge injection capabilities of surgical Ti and Ti-6Al-4V. With surgical alloys, harmful biological responses are principally due to the type and quantity of metal ions released by the corrosion process. One approach to improve long-term biological performance involves surface modifications to significantly reduce degradation rates. With regard to surface-modifications, one of the most effective methods is through ion implantation. Results are presented for ion-implanted Au, Rh, and Ir. For the static in vitro corrosion properties, the noble-metal ion implanted Ti-6Al-4V and commercially-pure (CP) Ti were investigated in non-passivating acid and passivating saline solutions. It was postulated that during the early stages of corrosion (or during a corrosion pretreatment) the implanted noble-metal would enrich at the surface and significantly reduce subsequent corrosion rates. The observed behavior for the Ir and Rh implanted materials appeared to follow the postulated mechanism, with both initial and time-dependent improvements in corrosion resistance. However, the Au implanted material yielded early benefits, but the enhanced corrosion resistance deteriorated with time. X-ray photoelectron spectroscopy (XPS) analysis indicated that the implanted Au atoms remained as pure metallic Au, while the Ir and Rh atoms were in some oxide state, which gave the good adhesion of the Ir or Rh enriched surface to the Ti substrate. For a stimulating neural electrode, the charge density should be as large as possible to provide adequate stimulation of the nervous system while allowing for miniaturization of the electrode. Activated Ir has been known as having the highest charge injection capability of any material known

  9. Structural, electronic and elastic properties of heavy fermion YbRh2 Laves phase compound

    Science.gov (United States)

    Pawar, Harsha; Shugani, Mani; Aynyas, Mahendra; Sanyal, Sankar P.

    2018-05-01

    The structural, electronic and elastic properties of YbRh2 Laves phase intermetallic compound which crystallize in cubic (MgCu2-type) structure have been investigated using ab-initio full potential linearized augmented plane wave (FP- LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B') are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for this compound which obeys the stability criteria for cubic system.

  10. Accumulation capacitance frequency dispersion of III-V metal-insulator-semiconductor devices due to disorder induced gap states

    International Nuclear Information System (INIS)

    Galatage, R. V.; Zhernokletov, D. M.; Dong, H.; Brennan, B.; Hinkle, C. L.; Wallace, R. M.; Vogel, E. M.

    2014-01-01

    The origin of the anomalous frequency dispersion in accumulation capacitance of metal-insulator-semiconductor devices on InGaAs and InP substrates is investigated using modeling, electrical characterization, and chemical characterization. A comparison of the border trap model and the disorder induced gap state model for frequency dispersion is performed. The fitting of both models to experimental data indicate that the defects responsible for the measured dispersion are within approximately 0.8 nm of the surface of the crystalline semiconductor. The correlation between the spectroscopically detected bonding states at the dielectric/III-V interface, the interfacial defect density determined using capacitance-voltage, and modeled capacitance-voltage response strongly suggests that these defects are associated with the disruption of the III-V atomic bonding and not border traps associated with bonding defects within the high-k dielectric.

  11. Reactivity of biogenic manganese oxide for metal sequestration and photochemistry: Computational solid state physics study

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, K.D.; Sposito, G.

    2010-02-01

    Many microbes, including both bacteria and fungi, produce manganese (Mn) oxides by oxidizing soluble Mn(II) to form insoluble Mn(IV) oxide minerals, a kinetically much faster process than abiotic oxidation. These biogenic Mn oxides drive the Mn cycle, coupling it with diverse biogeochemical cycles and determining the bioavailability of environmental contaminants, mainly through strong adsorption and redox reactions. This mini review introduces recent findings based on quantum mechanical density functional theory that reveal the detailed mechanisms of toxic metal adsorption at Mn oxide surfaces and the remarkable role of Mn vacancies in the photochemistry of these minerals.

  12. State-Resolved Metal Nanoparticle Dynamics Viewed through the Combined Lenses of Ultrafast and Magneto-optical Spectroscopies.

    Science.gov (United States)

    Zhao, Tian; Herbert, Patrick J; Zheng, Hongjun; Knappenberger, Kenneth L

    2018-05-08

    Electronic carrier dynamics play pivotal roles in the functional properties of nanomaterials. For colloidal metals, the mechanisms and influences of these dynamics are structure dependent. The coherent carrier dynamics of collective plasmon modes for nanoparticles (approximately 2 nm and larger) determine optical amplification factors that are important to applied spectroscopy techniques. In the nanocluster domain (sub-2 nm), carrier coupling to vibrational modes affects photoluminescence yields. The performance of photocatalytic materials featuring both nanoparticles and nanoclusters also depends on the relaxation dynamics of nonequilibrium charge carriers. The challenges for developing comprehensive descriptions of carrier dynamics spanning both domains are multifold. Plasmon coherences are short-lived, persisting for only tens of femtoseconds. Nanoclusters exhibit discrete carrier dynamics that can persist for microseconds in some cases. On this time scale, many state-dependent processes, including vibrational relaxation, charge transfer, and spin conversion, affect carrier dynamics in ways that are nonscalable but, rather, structure specific. Hence, state-resolved spectroscopy methods are needed for understanding carrier dynamics in the nanocluster domain. Based on these considerations, a detailed understanding of structure-dependent carrier dynamics across length scales requires an appropriate combination of spectroscopic methods. Plasmon mode-specific dynamics can be obtained through ultrafast correlated light and electron microscopy (UCLEM), which pairs interferometric nonlinear optical (INLO) with electron imaging methods. INLO yields nanostructure spectral resonance responses, which capture the system's homogeneous line width and coherence dynamics. State-resolved nanocluster dynamics can be obtained by pairing ultrafast with magnetic-optical spectroscopy methods. In particular, variable-temperature variable-field (VTVH) spectroscopies allow quantification

  13. A novel approach for simultaneous measurements of Hall effect and magnetoresistance effect in solid and liquid state of gallium and mercury metals

    International Nuclear Information System (INIS)

    Ogita, M.; Nakao, M.; Singh, C.D.; Mogi, I.; Awaji, S.

    2004-01-01

    An AC-DC method has been proposed for simultaneous measurements of Hall effect and magnetoresistance effect in solid and liquid state of Ga and Hg metals. In low magnetic field Hall signal in solid state is proportional to magnetic field B, while in liquid state Hall signal is affected by magnetoresistance effect. It has been found that magnetoresistance has a B 2 dependence on magnetic field and affects the Hall signal. In high magnetic field, the Hall effect in liquid state is affected by a very large magnetoresistance effect compared in solid state. The magnetoresistance effect in liquid state is higher than solid state

  14. Theoretical study of elastic, mechanical and thermodynamic properties of MgRh intermetallic compound

    Directory of Open Access Journals (Sweden)

    S. Boucetta

    2014-03-01

    Full Text Available In the last years, Magnesium alloys are known to be of great technological importance and high scientific interest. In this work, density functional theory plane-wave pseudo potential method, with local density approximation (LDA and generalized gradient approximation (GGA are used to perform first-principles quantum mechanics calculations in order to investigate the structural, elastic and mechanical properties of the intermetallic compound MgRh with a CsCl-type structure. Comparison of the calculated equilibrium lattice constant and experimental data shows good agreement. The elastic constants were determined from a linear fit of the calculated stress–strain function according to Hooke's law. From the elastic constants, the bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio σ, anisotropy factor A and the ratio B/G for MgRh compound are obtained. The sound velocities and Debye temperature are also predicted from elastic constants. Finally, the linear response method has been used to calculate the thermodynamic properties. The temperature dependence of the enthalpy H, free energy F, entropy S, and heat capacity at constant volume Cv of MgRh crystal in a quasi-harmonic approximation have been obtained from phonon density of states and discussed for the first report. This is the first quantitative theoretical prediction of these properties.

  15. Unraveling the structure of the h-BN/Rh(111) nanomesh with ab initio calculations

    International Nuclear Information System (INIS)

    Laskowski, R; Blaha, P

    2008-01-01

    The properties of a single layer of h-BN on top of a Rh(111) surface are discussed in terms of an ab initio generated force field approach as well as by direct ab initio density-functional theory (DFT) calculations. A single-layer model for the h-BN/Rh(111) nanomesh, in contrast to a previously considered (incomplete) double-layer model of h-BN, can explain the experimental data. The main focus of this work is to compare a force field approach described earlier in (Laskowski et al 2007 Phys. Rev. Lett. 98 106802) with direct ab initio calculations. The calculated geometry of the h-BN layer is very similar to the structure predicted by the force field approach. The ab initio calculated density of states projected on N-p x,y of BN corresponding to 'low' and 'high' regions with respect to the Rh surface shows a 1 eV splitting and thus explains the observed σ-band splitting. Moreover, we find good agreement between calculated and experimental scanning tunneling microscope (STM) images of this system

  16. A general approach for the synthesis of bimetallic M–Sn (M = Ru, Rh and Ir) catalysts for efficient hydrogenolysis of ester

    KAUST Repository

    Samal, Akshaya Kumar

    2016-11-24

    A versatile synthetic method was applied for the preparation of Sn containing bimetallic catalysts. The synthesis was performed by simply mixing the super hydride [LiB(C2H5)(3)H], with a metal (Ru, Rh or Ir) salt and an organotin complex in tetrahydrofuran solvent without using any surfactant. This leads to the formation of monodispersed M-Sn (M = Ru, Rh or Ir) bimetallic nanoparticles (NPs). These bimetallic catalysts show high performances in the hydrogenolysis of ester to the corresponding alcohol.

  17. Visualizing band offsets and edge states in bilayer–monolayer transition metal dichalcogenides lateral heterojunction

    KAUST Repository

    Zhang, Chendong

    2016-01-18

    Semiconductor heterostructures are fundamental building blocks for many important device applications. The emergence of two-dimensional semiconductors opens up a new realm for creating heterostructures. As the bandgaps of transition metal dichalcogenides thin films have sensitive layer dependence, it is natural to create lateral heterojunctions (HJs) using the same materials with different thicknesses. Here we show the real space image of electronic structures across the bilayer–monolayer interface in MoSe2 and WSe2, using scanning tunnelling microscopy and spectroscopy. Most bilayer–monolayer HJs are found to have a zig-zag-orientated interface, and the band alignment of such atomically sharp HJs is of type-I with a well-defined interface mode that acts as a narrower-gap quantum wire. The ability to utilize such commonly existing thickness terraces as lateral HJs is a crucial addition to the tool set for device applications based on atomically thin transition metal dichalcogenides, with the advantage of easy and flexible implementation.

  18. The State-of-the-Art Report on the Liquid Metal Reactor

    International Nuclear Information System (INIS)

    Hahn, Do Hee; Kim, Yeong Il; Kim, Seong O; Lee, Jae Han; Lee, Yong Bum

    2006-03-01

    The status of the sodium cooled metal fuel core technology and the design methodology were described. The preliminary design concepts of the metal fuel core were established for KALIMER. A systematic study on the development fluid and I and C system has been carried out, and the conceptual design of NSSS of the 150MWe and 600MWe LMRs such as the design of PHTS, IHTS, RHRS, SGS and related technology with BOP is established together with the computational technology. The development of detection system of the sodium-water reaction, core blockage and the conceptual design of the control system of large capacity LMR are being carried. The important technological areas for mechanical structure design of LMR are high temperature thin structure design, seismic isolation design, In-Service- Inspection technology, and the economic design. The highlighted performances for the safety analysis were the developments of the containment analysis code CONTAIN-LMR-K, the safety analysis code SSC-K and the flow blockage analysis code. The safety criteria were set up, the safety analysis for the equilibrium core, the HCDA analysis, and the containment performance analysis were performed. The recent SSC-K 1.3 version turns out to be reliable after the indirect verification throughout qualitative/quantitative assessments

  19. Isotope exchange between alkaline earth metal hydroxide and HTO water in the equilibrium state

    International Nuclear Information System (INIS)

    Imaizumi, H.; Gounome, J.; Kano, N.

    1997-01-01

    In order reveal to what extent tritium ( 3 H or T) can be incorporated into hydroxides, the isotope exchange reaction (OT-for-OH exchange reaction) between each alkaline earth metal hydroxide (M(OH) 2 ), where M means alkaline earth metal (M=Ca, Sr or Ba) and HTO water was observed homogeneously at 30 deg C under equilibrium after mixing. Consequently, the followings were obtained: a quantitative relation between the electronegativity of each M ion and the ability (of the M ion) incorporating OT - into the M hydroxide can be found and the ability is small when the temperature is high, the exchange rate for the OT-for-OH exchange reaction is small when the electronegativity of the M ion in the M hydroxide is great, as for the dissociation of HTO water, it seems that formula (HTO ↔ T + + OH - ) is more predominant than the formula (HTO ↔H + + OT - ) when the temperature is high and the method used in this work is useful to estimate the reactivity of a certain alkaline material. (author)

  20. Women's attitude towards prenatal screening for red blood cell antibodies, other than RhD

    Directory of Open Access Journals (Sweden)

    van der Schoot CE

    2008-11-01

    Full Text Available Abstract Background Since July 1998 all Dutch women (± 200,000/y are screened for red cell antibodies, other than anti-RhesusD (RhD in the first trimester of pregnancy, to facilitate timely treatment of pregnancies at risk for hemolytic disease of the fetus and newborn (HDFN. Evidence for benefits, consequences and costs of screening for non-RhD antibodies is still under discussion. The screening program was evaluated in a nation-wide study. As a part of this evaluation study we investigated, according to the sixth criterium of Wilson and Jüngner, the acceptance by pregnant women of the screening program for non-RhD antibodies. Methods Controlled longitudinal survey, including a prenatal and a postnatal measurement by structured questionnaires. Main outcome measures: information satisfaction, anxiety during the screening process (a.o. STAI state inventory and specific questionnaire modules, overall attitude on the screening program. Univariate analysis was followed by standard multivariate analysis to identify significant predictors of the outcome measures. Participants: 233 pregnant women, distributed over five groups, according to the screening result. Results Satisfaction about the provided information was moderate in all groups. All screen- positive groups desired more supportive information. Anxiety increased in screen- positives during the screening process, but decreased to basic levels postnatally. All groups showed a strongly positive balance between perceived utility and burden of the screening program, independent on test results or background characteristics. Conclusion Women highly accept the non-RhD antibody screening program. However, satisfaction about provided information is moderate. Oral and written information should be provided by obstetric care workers themselves, especially to screen-positive women.

  1. RhNAC2 and RhEXPA4 Are Involved in the Regulation of Dehydration Tolerance during the Expansion of Rose Petals1[C][W][OA

    Science.gov (United States)

    Dai, Fanwei; Zhang, Changqing; Jiang, Xinqiang; Kang, Mei; Yin, Xia; Lü, Peitao; Zhang, Xiao; Zheng, Yi; Gao, Junping

    2012-01-01

    Dehydration inhibits petal expansion resulting in abnormal flower opening and results in quality loss during the marketing of cut flowers. We constructed a suppression subtractive hybridization library from rose (Rosa hybrida) flowers containing 3,513 unique expressed sequence tags and analyzed their expression profiles during cycles of dehydration. We found that 54 genes were up-regulated by the first dehydration, restored or even down-regulated by rehydration, and once again up-regulated by the second dehydration. Among them, we identified a putative NAC family transcription factor (RhNAC2). With transactivation activity of its carboxyl-terminal domain in yeast (Saccharomyces cerevisiae) cell and Arabidopsis (Arabidopsis thaliana) protoplast, RhNAC2 belongs to the NAC transcription factor clade related to plant development in Arabidopsis. A putative expansin gene named RhEXPA4 was also dramatically up-regulated by dehydration. Silencing RhNAC2 or RhEXPA4 in rose petals by virus-induced gene silencing significantly decreased the recovery of intact petals and petal discs during rehydration. Overexpression of RhNAC2 or RhEXPA4 in Arabidopsis conferred strong drought tolerance in the transgenic plants. RhEXPA4 expression was repressed in RhNAC2-silenced rose petals, and the amino-terminal binding domain of RhNAC2 bound to the RhEXPA4 promoter. Twenty cell wall-related genes, including seven expansin family members, were up-regulated in Arabidopsis plants overexpressing RhNAC2. These data indicate that RhNAC2 and RhEXPA4 are involved in the regulation of dehydration tolerance during the expansion of rose petals and that RhEXPA4 expression may be regulated by RhNAC2. PMID:23093360

  2. Cloning and functional analysis of promoters of three GnRH genes in a cichlid

    International Nuclear Information System (INIS)

    Kitahashi, Takashi; Sato, Hideki; Sakuma, Yasuo; Parhar, Ishwar S.

    2005-01-01

    Mechanisms regulating gonadotropin-releasing hormone (GnRH) types, a key molecule for reproductive physiology, remain unclear. In the present study, we cloned the promoters of GnRH1, GnRH2, and GnRH3 genes in the tilapia, Oreochromis niloticus; and found putative binding sites for glucocorticoid receptors, Sp1, C/EBP, GATA, and Oct-1, but not for androgen receptors in all three GnRH promoters using computer analysis. The presence of binding sites for progesterone receptors in GnRH1, estrogen receptors in GnRH1 and GnRH2, and thyroid hormone receptors in GnRH1 and GnRH3 suggests direct action of steroid hormones on GnRH types. Our observation of SOX and LINE-like sequences exclusively in GnRH1, COUP in GnRH2, and retinoid X receptors in GnRH3 suggests their role in sexual differentiation, midbrain segmentation, and visual cue integration, respectively. Thus, the characteristic binding sites for nuclear receptors and transcription factors support the notion that each GnRH type is regulated differently and has distinct physiological roles

  3. Significance of β-dehydrogenation in ethanol electro-oxidation on platinum doped with Ru, Rh, Pd, Os and Ir.

    Science.gov (United States)

    Sheng, Tian; Lin, Wen-Feng; Hardacre, Christopher; Hu, P

    2014-07-14

    In the exploration of highly efficient direct ethanol fuel cells (DEFCs), how to promote the CO2 selectivity is a key issue which remains to be solved. Some advances have been made, for example, using bimetallic electrocatalysts, Rh has been found to be an efficient additive to platinum to obtain high CO2 selectivity experimentally. In this work, the mechanism of ethanol electrooxidation is investigated using the first principles method. It is found that CH3CHOH* is the key intermediate during ethanol electrooxidation and the activity of β-dehydrogenation is the rate determining factor that affects the completeness of ethanol oxidation. In addition, a series of transition metals (Ru, Rh, Pd, Os and Ir) are alloyed on the top layer of Pt(111) in order to analyze their effects. The elementary steps, α-, β-C-H bond and C-C bond dissociations, are calculated on these bimetallic M/Pt(111) surfaces and the formation potential of OH* from water dissociation is also calculated. We find that the active metals increase the activity of β-dehydrogenation but lower the OH* formation potential resulting in the active site being blocked. By considering both β-dehydrogenation and OH* formation, Ru, Os and Ir are identified to be unsuitable for the promotion of CO2 selectivity and only Rh is able to increase the selectivity of CO2 in DEFCs.

  4. Zeolites as supports for transition-metal complexes

    Energy Technology Data Exchange (ETDEWEB)

    Le Van Mao, R

    1979-01-01

    The unique structural characteristics of the zeolites, including the presence of molecular-size cages and channels and of an internal electrostatic field, make them promising as supports for converting homogeneous to heterogeneous catalysts. The acidic sites on the zeolites may also contribute to catalysis of reactions, such as hydrocracking; may stabilize metal complexes in a highly disperse state; and may improve activity or selectivity. Recent studies on the synthesis of new types of zeolite-supported complexes of transition metals (TM), such as Co, Cu, Ag, Fe, Mo, Ru, Rh, Re, and Os, suggest the feasibility of the direct introduction of some TM complexes into the zeolitic cages during zeolite synthesis, especially during the crystallization phase. This method may considerably reduce the structural limitations associated with the incorporation of TM complexes into zeolites by conventional methods.

  5. Solid state and solution photoluminescence properties of a novel meso–meso-linked porphyrin dimer Schiff base ligand and its metal complexes

    Energy Technology Data Exchange (ETDEWEB)

    Tümer, Mehmet, E-mail: mtumer@ksu.edu.tr; Ali Güngör, S.; Raşit Çiftaslan, A.

    2016-02-15

    We prepared novel meso-meso linked 4-bromo-2,6-bis[5-(4-iminophenyl)-10,15,20-triphenylporphyrin]phenol (HL) and its Cu(II), Fe(III), Mn(III), Pt(II) and Zn(II) transition metal complexes. Structural characterizations of the ligand (HL) and its metal complexes were done by the spectroscopic and analytical methods. The electronic absorption and photoluminescence spectra of the ligand, its metal complexes and the metal salts used for preparing of the complexes were investigated in the solid and solution state. The emission and excitation data of the CuCl{sub 2}·2H{sub 2}O in both solid and the solution state were obsrved in the longest wavelenght. On the other hand, the emission value of the ZnCl{sub 2} salt was shown at the shortest wavelenght. The emission values of the [LCu{sub 4}Cl{sub 3}(H{sub 2}O){sub 2}]H{sub 2}O and LPt{sub 4}Cl{sub 3} complexes in the solid state are bigger than the other metal salts. The ligand and its metal complexes show the very interesting absorption spectral properties in the solid state. Metal complexes have less number Q bands in the solid state. The electrochemical properties of the ligand and its metal complexes were investigated and found that they show the reversible or irreversible redox processes at the different scan rates. Thermal properties of the compopunds were investigated in the 20–900 °C temperature range.

  6. High-resolution photoemission study of Ce1-x La x RhAs: A collapse of the energy gap in the Kondo semiconductor

    International Nuclear Information System (INIS)

    Shimada, K.; Higashiguchi, M.; Fujimori, S.-I.; Saitoh, Y.; Fujimori, A.; Namatame, H.; Taniguchi, M.; Sasakawa, T.; Takabatake, T.

    2006-01-01

    High-resolution resonance-photoemission spectroscopy has been performed on the Ce 1- x La x RhAs (0≤x≤0.05) single crystal to elucidate a collapse of the energy gap in the Kondo semiconductor CeRhAs by La substitution. With increasing x, the spectral intensity of the Ce4f 1 derived states near the Fermi level decreases and new 4f derived spectral feature appears at a higher binding energy. The Rh4d-derived states, on the other hand, are not significantly changed by the substitution. New 4f-derived states have incoherent nature, which is responsible for the collapse of the semiconducting state for x>∼0.02

  7. Electronic structure and bonding in the RhC molecule by all-electron ab initio HF–Cl calculations and mass spectrometric measurements

    DEFF Research Database (Denmark)

    Shim, Irene; Gingerich, K. A.

    1984-01-01

    In the present study we present all-electron ab initio Hartree–Fock (HF) and configuration interaction (CI) calculations of the 2Sigma+ ground state as well as of 16 excited states of the RhC molecule. The calculated spectroscopic constants of the lowest lying states are in good agreement...... with the experimental data. The chemical bond in the electronic ground state is mainly due to interaction of the 4d orbitals of Rh with the 2s and 2p orbitals of C. The bond is a triple bond composed of two pi bonds and one sigma bond. The 5s electron of Rh hardly participates in the bond formation. It is located...

  8. Ternary rhombohedral Laves phases RE{sub 2}Rh{sub 3}Ga (RE = Y, La-Nd, Sm, Gd-Er)

    Energy Technology Data Exchange (ETDEWEB)

    Seidel, Stefan; Benndorf, Christopher; Heletta, Lukas; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Janka, Oliver [Oldenburg Univ. (Germany). Inst. fuer Chemie; Mausolf, Bernhard [RWTH Aachen (Germany). Inst. fuer Anorganische Chemie; Haarmann, Frank [RWTH Aachen (Germany). Inst. fuer Anorganische Chemie; Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Sao Paulo Univ., Sao Carlos (Brazil). Inst. of Physics

    2017-06-01

    The ordered Laves phases RE{sub 2}Rh{sub 3}Ga (RE=Y, La-Nd, Sm, Gd-Er) were synthesized by arc-melting of the elements and subsequent annealing. The samples were characterized by powder X-ray diffraction (XRD). They crystallize with the rhombohedral Mg{sub 2}Ni{sub 3}Si type structure, space group R3m. Three structures were refined from single crystal X-ray diffractometer data: a=557.1(1), c=1183.1(2), wR2=0.0591, 159 F{sup 2} values, 10 variables for Y{sub 2}Rh{sub 3}Ga, a=562.5(2), c=1194.4(2) pm, wR2=0.0519, 206 F{sup 2} values, 11 variables for Ce{sub 2}Rh{sub 3}Ga and a=556.7(2), c=1184.1(3) pm, wR2=0.0396, 176 F{sup 2} values, 11 variables for Tb{sub 2}Rh{sub 3}Ga. The Rh{sub 3}Ga tetrahedra are condensed via common corners and the large cavities left by the network are filled by the rare earth atoms. The RE{sub 2}Rh{sub 3}Ga Laves phases crystallize with a translationengleiche subgroup of the cubic RERh{sub 2} Laves phases with MgCu{sub 2} type. Magnetic susceptibility measurements reveal Pauli paramagnetism for Y{sub 2}Rh{sub 3}Ga and La{sub 2}Rh{sub 3}Ga. Ce{sub 2}Rh{sub 3}Ga shows intermediate cerium valence while all other RE{sub 2}Rh{sub 3}Ga phases are Curie-Weiss paramagnets which order magnetically at low temperatures. The {sup 89}Y and {sup 71}Ga solid state nuclear magnetic resonance (NMR) spectra of the diamagnetic representative Y{sub 2}Rh{sub 3}Ga show well-defined single resonances in agreement with an ordered bulk phase. In comparison to the binary Laves phase YRh{sub 2} a strongly increased {sup 89}Y resonance frequency is observed owing to a higher s-electron spin density at the {sup 89}Y nuclei as proven by density of states (DOS) calculations.

  9. Role of Interchain Coupling in the Metallic State of Conducting Polymers

    Science.gov (United States)

    Kim, Nara; Lee, Byoung Hoon; Choi, Doowhan; Kim, Geunjin; Kim, Heejoo; Kim, Jae-Ryoung; Lee, Jongjin; Kahng, Yung Ho; Lee, Kwanghee

    2012-09-01

    We investigated the charge dynamics of the conductivity enhancement from 2 to 1000S/cm in poly(3, 4-ethylenedioxythiophene):poly(styrenesulfonate) as induced by structural changes through the addition of a polar solvent and the following solvent bath treatment. Our results indicate that the addition of a polar solvent selectively enhanced the π-π coupling of the polymer chains, resulting in the reduction of disorder and tremendously increasing the charge carrier mobility, which yielded an insulator-to-metal transition. In contrast, the following solvent bath treatment selectively enhanced the intergrain coupling, which did not affect the disorder or the mobility but increased the charge carrier density. Therefore, we demonstrate that the conduction-character defining disorder in this conducting polymer system is determined by the extent of interchain coupling.

  10. Application of machine-learning methods to solid-state chemistry: ferromagnetism in transition metal alloys

    International Nuclear Information System (INIS)

    Landrum, G.A.Gregory A.; Genin, Hugh

    2003-01-01

    Machine-learning methods are a collection of techniques for building predictive models from experimental data. The algorithms are problem-independent: the chemistry and physics of the problem being studied are contained in the descriptors used to represent the known data. The application of a variety of machine-learning methods to the prediction of ferromagnetism in ordered and disordered transition metal alloys is presented. Applying a decision tree algorithm to build a predictive model for ordered phases results in a model that is 100% accurate. The same algorithm achieves 99% accuracy when trained on a data set containing both ordered and disordered phases. Details of the descriptor sets for both applications are also presented

  11. Electronic and thermodynamic properties of the transition between metallic and nonmetallic states in dense media

    International Nuclear Information System (INIS)

    Fortin, Xavier

    1971-01-01

    The effects of thermal excitation are introduced in the study of a simple electronic structure model for condensed media. The choice of a particle-interaction potential leads to a self-consistent calculation performed on a computer. This calculation gives a metal - nonmetal transition similar to the MOTT transition. We consider the effects of temperature and density variations upon this transition. It is possible to make use of this electronic structure to obtain the thermodynamic properties near the transition: pressure, free energy, sound velocity. The numerical results of this simple model are satisfactory. Particularly, if a dielectric constant is taken into account, the transition temperature and density are of the same order of magnitude as those observed experimentally in semiconductors. (author) [fr

  12. Status of Liquid Metal Fast Reactor Development in the United States of America, March 1987

    International Nuclear Information System (INIS)

    Horton, K.E.

    1987-01-01

    In order to meet the objective to develop and demonstrate economically competitive reactor designs and associated fuel cycles early in the next century, the U.S. program has become more focused. Two innovative reactor designs supported by the metal-fueled Integral Fast Reactor program are being directed at fulfilling a series of advanced reactor goals. The supporting technology programs and facilities are being refocused to support the overall goals. International collaboration is being broadened to provide the two-way support across the spectrum of plant projects and the fuel cycle. This program is intended to maintain the technology base into the time period (mid-1990s) when a private sector demonstration could be initiated. (author)

  13. Thermodynamics analysis of the rare earth metals and their alloys with indium in solid state

    International Nuclear Information System (INIS)

    Vassiliev, V.P.; Benaissa, Ablazeze; Taldrik, A.F.

    2013-01-01

    Graphical abstract: Gibbs energies of formation vs. RE atomic numbers in REIn 3 . Highlights: •Set of experimental values was collected for REIn 3 phases. •Thermodynamic functions of formation were calculated at 298 K and 775 K. •Experimental and calculated values were compared. -- Abstract: Nonlinear correlative analyses between thermodynamic and some physico-chemical properties of rare-earth metals (RE) and their alloys with indium are performed for the isostructural phases RE and REIn 3 . The thermodynamics values (Gibbs energies of formation, enthalpies of formation, and entropies of formation at 298 K and 775 K and standard entropies) of LnIn 3 phases are calculated on the basis of calorimetry and potentiometry results. The proposed correlation between physico-chemical and thermodynamic properties agrees for all the isostructural phases REX (X are others elements of the periodic table). The resulting thermodynamic data are recommended for metallurgical handbook

  14. Mimicking heme enzymes in the solid state: metal-organic materials with selectively encapsulated heme.

    Science.gov (United States)

    Larsen, Randy W; Wojtas, Lukasz; Perman, Jason; Musselman, Ronald L; Zaworotko, Michael J; Vetromile, Carissa M

    2011-07-13

    To carry out essential life processes, nature has had to evolve heme enzymes capable of synthesizing and manipulating complex molecules. These proteins perform a plethora of chemical reactions utilizing a single iron porphyrin active site embedded within an evolutionarily designed protein pocket. We herein report the first class of metal-organic materials (MOMs) that mimic heme enzymes in terms of both structure and reactivity. The MOMzyme-1 class is based upon a prototypal MOM, HKUST-1, into which catalytically active metalloporphyrins are selectively encapsulated in a "ship-in-a-bottle" fashion within one of the three nanoscale cages that exist in HKUST-1. MOMs offer unparalleled levels of permanent porosity and their modular nature affords enormous diversity of structures and properties. The MOMzyme-1 class could therefore represent a new paradigm for heme biomimetic catalysis since it combines the activity of a homogeneous catalyst with the stability and recyclability of heterogeneous catalytic systems within a single material.

  15. The system Cu-Rh-S at 900 degrees, 700 degrees, 540 degrees and 500 degrees C

    DEFF Research Database (Denmark)

    Karup-Møller, Sven; Makovicky, E.

    2007-01-01

    Phase relations in the dry condensed system Cu-Rh-S were determined at 900, 700, 540 and 500 degrees C. At 900 degrees C, the system contains digenite, four rhodium sulfides (Rh17S15, Rh3S4, Rh2S3 and RhS similar to 3), three ternary sulfides (CuRh2S4, CuxRhS3+x and a fibrous sulfide in the range...

  16. Electron paramagnetic resonance studies on conformation states and metal ion exchange properties of vanadium bromoperoxidase

    International Nuclear Information System (INIS)

    de Boer, E.; Boon, K.; Wever, R.

    1988-01-01

    An electron paramagnetic resonance (EPR) study was carried out to examine structural aspects of vanadium-containing bromoperoxidase from the brown seaweed Ascophyllum nodosum. At high pH, the reduced form of bromoperoxidase showed an apparently axially symmetric EPR signal with 16 hyperfine lines. When the pH was lowered, a new EPR spectrum was formed. When EPR spectra of the reduced enzyme were recorded in the pH range from 4.2 to 8.4, it appeared that these changes were linked to a functional group with an apparent pK/sub a/ of about 5.4. In D 2 O this value for the pK/sub a/ was 5.3. It is suggested that these effects arise from protonation of histidine or aspartate/glutamate residues near the metal ion. The values for the isotropic hyperfine coupling constant of the reduced enzyme at both high and low pH are also consistent with a ligand field containing nitrogen and/or oxygen donor atoms. When reduced bromoperoxidase was dissolved in D 2 O or H 2 17 O instead of H 2 16 O, vanadium (IV) hyperfine line widths were markedly affected, demonstrating that water is a ligand of the metal ion. Together with previous work these findings suggest that vanadium (IV) is not involved in catalytic turnover and confirm the model in which the vanadium (V) ion of the native enzyme only serves to bind both hydrogen peroxide and bromide. After excess vanadate was added to a homogeneous preparation of purified bromoperoxidase, the extent of vanadium bound to the protein increased from 0.5 to 1.1, with a concomitant enhancement of enzymic activity. Finally, it is demonstrated that both vanadate (VO 4 3- ) and molybdate (MoO 4 2- ) compete for the same site on apobromoperoxidase

  17. Coliform and Metal Contamination in Lago de Colina, a Recreational Water Body in Chihuahua State, Mexico

    Science.gov (United States)

    Rubio-Arias, Hector; Rey, Nora I.; Quintana, Rey M.; Nevarez, G. Virginia; Palacios, Oskar

    2011-01-01

    Lago de Colina (Colina Lake) is located about 180 km south of the city of Chihuahua (Mexico), and during the Semana Santa (Holy Week) vacation period its recreational use is high. The objective of this study was to quantify coliform and heavy metal levels in this water body before and after the Holy Week vacation period in 2010. Twenty sampling points were randomly selected and two water samples were collected at each point near the surface (0.30 m) and at 1 m depth. After the Holy Week vacation the same twenty points were sampled at the same depths. Therefore, a total 80 water samples were analyzed for fecal and total coliforms and levels of the following metals: Al, As, B, Ca, Cr, Cu, Fe, K, Mg, Mn, Na, Ni, Pb, Se, Si and Zn. It was hypothesized that domestic tourism contaminated this water body, and as a consequence, could have a negative impact on visitor health. An analysis of variance (ANOVA) study was performed for each element and its interactions considering a factorial design where factor A was sample date and factor B was sample depth. Fecal coliforms were only detected at eight sampling points in the first week, but after Holy Week, both fecal and total coliforms were detected at most sampling points. The concentrations of Al, B, Na, Ni and Se were only statistically different for factor A. The levels of Cr, Cu, K and Mg was different for both date and depth, but the dual factor interaction was not significant. The amount of Ca and Zn was statistically different due to date, depth and their interaction. No significant differences were found for any factor or the interaction for the elements As, Fe and Mn. Because of the consistent results, it is concluded that local tourism is contaminating the recreational area of Colina Lake, Chihuahua, Mexico. PMID:21776236

  18. Coliform and Metal Contamination in Lago de Colina, a Recreational Water Body in Chihuahua State, Mexico

    Directory of Open Access Journals (Sweden)

    Hector Rubio-Arias

    2011-06-01

    Full Text Available Lago de Colina (Colina Lake is located about 180 km south of the city of Chihuahua (Mexico, and during the Semana Santa (Holy Week vacation period its recreational use is high. The objective of this study was to quantify coliform and heavy metal levels in this water body before and after the Holy Week vacation period in 2010. Twenty sampling points were randomly selected and two water samples were collected at each point near the surface (0.30 m and at 1 m depth. After the Holy Week vacation the same twenty points were sampled at the same depths. Therefore, a total 80 water samples were analyzed for fecal and total coliforms and levels of the following metals: Al, As, B, Ca, Cr, Cu, Fe, K, Mg, Mn, Na, Ni, Pb, Se, Si and Zn. It was hypothesized that domestic tourism contaminated this water body, and as a consequence, could have a negative impact on visitor health. An analysis of variance (ANOVA study was performed for each element and its interactions considering a factorial design where factor A was sample date and factor B was sample depth. Fecal coliforms were only detected at eight sampling points in the first week, but after Holy Week, both fecal and total coliforms were detected at most sampling points. The concentrations of Al, B, Na, Ni and Se were only statistically different for factor A. The levels of Cr, Cu, K and Mg was different for both date and depth, but the dual factor interaction was not significant. The amount of Ca and Zn was statistically different due to date, depth and their interaction. No significant differences were found for any factor or the interaction for the elements As, Fe and Mn. Because of the consistent results, it is concluded that local tourism is contaminating the recreational area of Colina Lake, Chihuahua, Mexico.

  19. Coliform and metal contamination in Lago de Colina, a recreational water body in Chihuahua State, Mexico.

    Science.gov (United States)

    Rubio-Arias, Hector; Rey, Nora I; Quintana, Rey M; Nevarez, G Virginia; Palacios, Oskar

    2011-06-01

    Lago de Colina (Colina Lake) is located about 180 km south of the city of Chihuahua (Mexico), and during the Semana Santa (Holy Week) vacation period its recreational use is high. The objective of this study was to quantify coliform and heavy metal levels in this water body before and after the Holy Week vacation period in 2010. Twenty sampling points were randomly selected and two water samples were collected at each point near the surface (0.30 m) and at 1 m depth. After the Holy Week vacation the same twenty points were sampled at the same depths. Therefore, a total 80 water samples were analyzed for fecal and total coliforms and levels of the following metals: Al, As, B, Ca, Cr, Cu, Fe, K, Mg, Mn, Na, Ni, Pb, Se, Si and Zn. It was hypothesized that domestic tourism contaminated this water body, and as a consequence, could have a negative impact on visitor health. An analysis of variance (ANOVA) study was performed for each element and its interactions considering a factorial design where factor A was sample date and factor B was sample depth. Fecal coliforms were only detected at eight sampling points in the first week, but after Holy Week, both fecal and total coliforms were detected at most sampling points. The concentrations of Al, B, Na, Ni and Se were only statistically different for factor A. The levels of Cr, Cu, K and Mg was different for both date and depth, but the dual factor interaction was not significant. The amount of Ca and Zn was statistically different due to date, depth and their interaction. No significant differences were found for any factor or the interaction for the elements As, Fe and Mn. Because of the consistent results, it is concluded that local tourism is contaminating the recreational area of Colina Lake, Chihuahua, Mexico.

  20. Chemical activation of molecules by metals: Experimental studies of electron distributions and bonding

    International Nuclear Information System (INIS)

    Lichtenberger, D.L.

    1991-10-01

    The formal relationship between measured molecular ionization energies and thermodynamic bond dissociation energies has been developed into a single equation which unifies the treatment of covalent bonds, ionic bonds, and partially ionic bonds. This relationship has been used to clarify the fundamental thermodynamic information relating to metal-hydrogen, metal-alkyl, and metal-metal bond energies. We have been able to obtain a direct observation and measurement of the stabilization energy provided by the agostic interaction of the C-H bond with the metal. The ionization energies have also been used to correlate the rates of carbonyl substitution reactions of (η 5 -C 5 H 4 X)Rh(CO) 2 complexes, and to reveal the electronic factors that control the stability of the transition state. The extent that the electronic features of these bonding interactions transfer to other chemical systems is being investigated in terms of the principle of additivity of ligand electronic effects. Specific examples under study include metal- phosphines, metal-halides, and metallocenes. Especially interesting has been the recent application of these techniques to the characterization of the soccer-ball shaped C 60 molecule, buckminsterfullerene, and its interaction with a metal surface. The high-resolution valence ionizations in the gas phase reveal the high symmetry of the molecule, and studies of thin films of C 60 reveal weak intermolecular interactions. Scanning tunneling and atomic force microscopy reveal the arrangement of spherical molecules on gold substrates, with significant delocalization of charge from the metal surface. 21 refs