[Fe(III)(dmbpy)(CN)4]-: a new building block for designing single-chain magnets.

Science.gov (United States)

Toma, Luminita Marilena; Pasán, Jorge; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel

2012-11-28

We herein present the synthesis and magneto-structural study of a new family of heterobimetallic chains of general formula {[Fe(III)(dmbpy)(CN)(4)](2)M(II)(H(2)O)(2)}(n)·pnH(2)O [dmbpy = 4,4'-dimethyl-2,2'-bipyridine; M = Mn (2), Cu (3), Ni (4) and Co (5) with p = 4 (2), 3 (3), 9 (4) and 3.5 (5)] which were prepared by using the mononuclear PPh(4)[Fe(III)(dmbpy)(CN)(4)]·3H(2)O (1) building block (PPh(4)(+) = tetraphenylphosphonium) as a ligand toward fully solvated M(II) ions. The structure of 1 consists of discrete [Fe(III)(dmbpy)(CN)(4)](-) anions, tetraphenylphosphonium cations and noncoordinated water molecules. Complexes 2-5 are isostructural compounds whose structure consists of neutral 4,2-wave like heterobimetallic chains of formula {[Fe(III)(dmbpy)(CN)(4)](2)M(II)(H(2)O)(2)}(n) where the [Fe(III)(dmbpy)(CN)(4)](-) entity adopts a bis-monodentate coordination mode toward trans-[M(II)(H(2)O)(2)] units through two of its four cyanide groups in cis positions. 1 exhibits the magnetic behaviour of magnetically isolated six-coordinate low-spin Fe(III) complexes with an important orbital contribution. 2 behaves as ferrimagnetic Fe(III)(2)Mn(II) chains, whereas 3-5 exhibit intrachain ferromagnetic couplings between the low-spin Fe(III) and either Cu(II) (3), Ni (4) or Co(II) (5) as well as frequency-dependence of the out-of-phase ac susceptibility signals below 3.0 (3), 5.5 (4) and 5.0 K (5). The relaxation time and the energy to reverse the magnetization of 3-5 are related to the anisotropy of the M(II) center and to the intra- and interchain magnetic interactions. Unprecedentedly in the world of cyanide-bearing complexes, 5 exhibits a double slow relaxation of the magnetization.

High pressure effects on a trimetallic Mn(II/III) SMM.

Science.gov (United States)

Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V; Moggach, Stephen A; Lennie, Alistair R; Warren, John E; Murrie, Mark; Parsons, Simon; Brechin, Euan K

2009-09-28

A combined study of the high pressure crystallography and high pressure magnetism of the complex [Mn3(Hcht)2(bpy)4](ClO4)3.Et2O.2MeCN (1.Et2O.2MeCN) (H3cht is cis,cis-1,3,5-cyclohexanetriol) is presented in an attempt to observe and correlate pressure induced changes in its structural and physical properties. At 0.16 GPa the complex 1.Et2O.2MeCN loses all associated solvent in the crystal lattice, becoming 1. At higher pressures structural distortions occur changing the distances between the metal centres and the bridging oxygen atoms making the magnetic exchange between the manganese ions weaker. No significant variations are observed in the Jahn-Teller axis of the only Mn(III) present in the structure. High pressure dc chiMT plots display a gradual decrease in both the low temperature value and slope. Simulations show a decrease in J with increasing pressure although the ground state is preserved. Magnetisation data do not show any change in |D|.

Pressure-Induced Enhanced Magnetic Anisotropy in Mn(N(CN)2)2

Energy Technology Data Exchange (ETDEWEB)

Quintero, P. A. [University of Florida, Gainesville; Rajan, D. [University of Florida, Gainesville; Peprah, M. K. [University of Florida, Gainesville; Brinzari, T. V. [University of Florida, Gainesville; Fishman, Randy Scott [ORNL; Talham, Daniel R. [University of Florida, Gainesville; Meisel, Mark W. [University of Florida, Gainesville

2015-01-01

Using DC and AC magnetometry, the pressure dependence of the magnetization of the threedimensional antiferromagnetic coordination polymer Mn(N(CN)2)2 was studied up to 12 kbar and down to 8 K. The magnetic transition temperature, Tc, increases dramatically with applied pressure (P), where a change from Tc(P = ambient) = 16:0 K to Tc(P = 12:1 kbar) = 23:5 K was observed. In addition, a marked difference in the magnetic behavior is observed above and below 7.1 kbar. Specifically, for P < 7:1 kbar, the differences between the field-cooled and zero-field-cooled (fc-zfc) magnetizations, the coercive field, and the remanent magnetization decrease with increasing pressure. However, for P > 7:1 kbar, the behavior is inverted. Additionally, for P > 8:6 kbar, minor hysteresis loops are observed. All of these effects are evidence of the increase of the superexchange interaction and the appearance of an enhanced exchange anisotropy with applied pressure.

Crystallization and preliminary crystallographic study of carnosinase CN2 from mice

Energy Technology Data Exchange (ETDEWEB)

Yamashita, Tetsuo; Unno, Hideaki; Ujita, Sayuri; Otani, Hiroto; Okumura, Nobuaki; Hashida-Okumura, Akiko; Nagai, Katsuya; Kusunoki, Masami, E-mail: kusunoki@protein.osaka-u.ac.jp [Institute for Protein Research, Osaka University, 3-2 Yamada-oka, Suita, Osaka 565-0871 (Japan)

2006-10-01

Mouse carnosinase was crystallized in complex with Zn{sup 2+} or Mn{sup 2+} and the complexes are undergoing structure determination by the MAD method. Mammalian tissues contain several histidine-containing dipeptides, of which l-carnosine is the best characterized and is found in various tissues including the brain and skeletal muscles. However, the mechanism for its biosynthesis and degradation have not yet been fully elucidated. Crystallographic study of carnosinase CN2 from mouse has been undertaken in order to understand its enzymatic mechanism from a structural viewpoint. CN2 was crystallized by the hanging-drop vapour-diffusion technique using PEG 3350 as a precipitant. Crystals were obtained in complex with either Mn{sup 2+} or Zn{sup 2+}. Both crystals of CN2 belong to the monoclinic space group P2{sub 1} and have almost identical unit-cell parameters (a = 54.41, b = 199.77, c = 55.49 Å, β = 118.52° for the Zn{sup 2+} complex crystals). Diffraction data were collected to 1.7 and 2.3 Å for Zn{sup 2+} and Mn{sup 2+} complex crystals, respectively, using synchrotron radiation. Structure determination is ongoing using the multiple-wavelength anomalous diffraction (MAD) method.

Crystallization and preliminary crystallographic study of carnosinase CN2 from mice

International Nuclear Information System (INIS)

Yamashita, Tetsuo; Unno, Hideaki; Ujita, Sayuri; Otani, Hiroto; Okumura, Nobuaki; Hashida-Okumura, Akiko; Nagai, Katsuya; Kusunoki, Masami

2006-01-01

Mouse carnosinase was crystallized in complex with Zn 2+ or Mn 2+ and the complexes are undergoing structure determination by the MAD method. Mammalian tissues contain several histidine-containing dipeptides, of which l-carnosine is the best characterized and is found in various tissues including the brain and skeletal muscles. However, the mechanism for its biosynthesis and degradation have not yet been fully elucidated. Crystallographic study of carnosinase CN2 from mouse has been undertaken in order to understand its enzymatic mechanism from a structural viewpoint. CN2 was crystallized by the hanging-drop vapour-diffusion technique using PEG 3350 as a precipitant. Crystals were obtained in complex with either Mn 2+ or Zn 2+ . Both crystals of CN2 belong to the monoclinic space group P2 1 and have almost identical unit-cell parameters (a = 54.41, b = 199.77, c = 55.49 Å, β = 118.52° for the Zn 2+ complex crystals). Diffraction data were collected to 1.7 and 2.3 Å for Zn 2+ and Mn 2+ complex crystals, respectively, using synchrotron radiation. Structure determination is ongoing using the multiple-wavelength anomalous diffraction (MAD) method

A Survey of CH3CN and HC3N in Protoplanetary Disks

Science.gov (United States)

Bergner, Jennifer B.; Guzmán, Viviana G.; Öberg, Karin I.; Loomis, Ryan A.; Pegues, Jamila

2018-04-01

The organic content of protoplanetary disks sets the initial compositions of planets and comets, thereby influencing subsequent chemistry that is possible in nascent planetary systems. We present observations of the complex nitrile-bearing species CH3CN and HC3N toward the disks around the T Tauri stars AS 209, IM Lup, LkCa 15, and V4046 Sgr as well as the Herbig Ae stars MWC 480 and HD 163296. HC3N is detected toward all disks except IM Lup, and CH3CN is detected toward V4046 Sgr, MWC 480, and HD 163296. Rotational temperatures derived for disks with multiple detected lines range from 29 to 73 K, indicating emission from the temperate molecular layer of the disk. V4046 Sgr and MWC 480 radial abundance profiles are constrained using a parametric model; the gas-phase CH3CN and HC3N abundances with respect to HCN are a few to tens of percent in the inner 100 au of the disk, signifying a rich nitrile chemistry at planet- and comet-forming disk radii. We find consistent relative abundances of CH3CN, HC3N, and HCN between our disk sample, protostellar envelopes, and solar system comets; this is suggestive of a robust nitrile chemistry with similar outcomes under a wide range of physical conditions.

The Influence of Defects on the Electron-Transfer and Magnetic Properties of RbxMn[Fe(CN)6]y·zH2O

NARCIS (Netherlands)

Vertelman, Esther J.M.; Maccallini, Enrico; Gournis, Dimitris; Rudolf, Petra; Bakas, Thomas; Luzon, Javier; Broer-Braam, Henderika; Pugzlys, Audrius; Lummen, Tom T.A.; van Loosdrecht, Paul H.M.; van Koningsbruggen, Petronella

2006-01-01

The synthesis and detailed characterization of a few samples of the compound RbxMn[Fe(CN)(6)](y)center dot zH(2)O are described. The composition of the materials significantly depends on the applied preparative conditions. Analysis of spectroscopic results (FTIR, Raman, Fe-57 Mossbauer, XPS) and

Raman study of vibrational dephasing in liquid CH3CN and CD3CN

International Nuclear Information System (INIS)

Schroeder, J.; Schiemann, V.H.; Sharko, P.T.; Jonas, J.

1977-01-01

The Raman line shapes of the ν 1 (a 1 ) C--H and C--D fundamentals in liquid acetonitrile and acetonitrile-d 3 have been measured as a function of pressure up to 4 kbar within the temperature interval 30--120 degreeC. Densities have also been determined. From the isotropic component of the vibrational Raman band shape the vibrational relaxation times have been obtained as a function of temperature and pressure (density). The experimental results can be summarized as follows: (i) as T increases at constant density rho, the vibrational relaxation rate (tau/sub vib/) -1 increases; (ii) at constant T as density is raised tau/sub vib/ -1 increases; (iii) at constant pressure the T increase produces higher tau/sub vib/ -1 , however, the change is more pronounced for the CD 3 CN liquid. Isotopic dilution studies of the CH 3 CN/CD 3 CN mixtures shows no significant effect on (tau/sub vib/ -1 ). The experimental data are interpreted in terms of the Kubo stochastic line shape theory and the dephasing model of Fischer and Laubereau. The results based on Kubo formalism indicate that dephasing is the dominant relaxation mechanism and that the modulation is fast. The isolated binary collision model proposed by Fischer and Laubereau for vibrational dephasing reproduces the essential features of the density and temperature dependence of the (tau/sub vib/) -1 and suggests that pure dephasing is the dominant broadening mechanism for the isotropic line shapes studied. In the calculation the elastic collision times were approximated by the Enskog relaxation times

K1-xMn1+x/2[Fe(CN)6]·yH2O Prussian blue analogues as an anode material for lithium-ion batteries

Science.gov (United States)

Zhou, Feng-Chen; Sun, Yan-Hui; Li, Jie-Qiong; Nan, Jun-Min

2018-06-01

Hexacyanoferrate, KMn[Fe(CN)6]·yH2O (KMnHCF), a Prussian blue analogue (PBA), is synthesized by a solution precipitation method under alkaline condition at room temperature. After treated with diluted hydrochloride acid, the KMnHCF is turned into Mn3[Fe(CN)6]2·yH2O (MnHCF). Then both synthesized KMnHCF and MnHCF are applied as anode material for lithium ion batteries (LIBs). The KMnHCF anode exhibits a super electrochemical performance than MnHCF. It shows a very low discharge voltage plateau of 0.6 V, an initial capacity of 777 mAh g-1, and a reversible capacity of 434 mAh g-1 after 50 cycles at a current density of 50 mA g-1. Furthermore, it keeps 425 mAh g-1 after 100 cycles at 100 mA g-1 and 215 mAh g-1 after 200 cycles even at 500 mA g-1. It is remarkable that the coulombic efficiency can be maintained larger than 98.4% from the 5th cycle at 50 mA g-1, 99.2% at 100 mA g-1, and 96.8% even at 500 mA g-1. In addition, the original structure of the KMnHCF has no obvious change after lithiation/de-lithiation based on the ex-situ X-ray powder diffraction (XRD) and Fourier transform infrared spectrometer (FT-IR) characterization, indicating large channels and interstitial sites in the open-framework can allow rapid insertion and extraction of Li+ and constrain volume expansion during charge/discharge process.

Mn-substituted perovskites RECoxMn1-xO3: a comparison between magnetic properties of LaCoxMn1-xO3 and GdCoxMn1-xO3

Directory of Open Access Journals (Sweden)

Barahona, P.

2008-08-01

Full Text Available Cooperative phenomena constitute important mechanisms to explain the magnetic properties of the perovskite manganites REMnO3, in which the rare-earth and/or Mn is partially replaced by divalent elements. In this way, the manganese ion changes its valence state (Mn3+ Mn4+, triggering strong magnetic interactions. In this work we describe the case of GdCoxMn1-xO3 (0.0 ≤ x ≤ 1.0 for which the antiferromagnetic interaction between the Gd sublattice and the Mn/Co network leads to a reversal of the magnetic moment at low temperature. No inversion is observed for the LaCoxMn1-xO3 series, in which the ordering temperature may attain a maximum of 235 K for LaCo0.50Mn0.50O3, while it is only 120 K for similar Co/Mn ratio in the case of GdCo0.50Mn0.50O3. Magnetic properties are described in terms of two regimes: one, for x 3 manganite and another one, for x > 0.5, when Mn substitutes Co in the GdCoO3 cobaltite, while the magnetic interactions are maximized at x(Co = 0.50. This hypothesis is discussed in terms of the respective oxidation states of both manganese (Mn3+ / Mn4+ and cobalt (Co2+ / Co3+.El fenómeno cooperativo constituye un importante mecanismo para explicar las propiedades magnéticas de las perovskitas manganitas TRMnO3, en las que el catión de tierra rara, TR, y/o el catión Mn3+ son parcialmente reemplazados por cationes divalentes. Por esta vía el ión de manganeso cambia de estado de valencia (Mn3+ Mn4+, generando fuertes interacciones magnéticas. En el presente trabajo se describe el caso de las soluciones sólidas GdCoxMn1-xO3 (0.0 ≤ x ≤ 1.0 para las que la interacción antiferromagnética entre la subred del Gd3+ y la red Mn/Co lleva a una inversión del momento magnético a baja temperatura. No se ha observado inversión para la serie LaCoxMn1-xO3, en que la temperatura de orden puede alcanzar un máximo de 235K para LaCo0.50Mn0.50O3, mientras que en el caso de GdCo0.50Mn0.50O3, en que sí se observa inversión, la

Novel detached system to MnCO3 nanowires: A self-sacrificing template for homomorphous Mn3O4 and α-Mn2O3 nanostructures

International Nuclear Information System (INIS)

Lei Shuijin; Peng Xiaomin; Li Xiuping; Liang Zhihong; Yang Yi; Cheng Baochang; Xiao Yanhe; Zhou Lang

2011-01-01

Research highlights: → A novel detached system along with solvothermal treatment was developed. → Radially aggregated MnCO 3 nanowires were successfully fabricated. → The detached system, solvent, surfactant and reaction time were important. → MnCO 3 nanowires could act as the self-sacrificing template for Mn 3 O 4 and α-Mn 2 O 3 . - Abstract: MnCO 3 , an important raw material, exhibits attractive properties and significant industrial applications. However, few concerns have been raised on the fabrication of its 1D nanostructures. In this paper, a novel detached system was successfully employed for the preparation of MnCO 3 nanowires by a surfactant-assisted solvothermal treatment using N,N-dimethylformamide as the solvent and cetyltrimethylammonium bromide as the surfactant. X-ray powder diffraction, scanning electron microscopy and transmission electron microscopy were employed to study the crystal structure and morphologies of the products. Experiments showed that the detached system, solvent, surfactant and reaction time were critical for the formation of the MnCO 3 nanowires. The thermal characterization was studied by differential scanning calorimetric analysis and thermogravimetric analysis measurements. The experimental results demonstrated that the as-prepared MnCO 3 nanocrystals can act as an efficient precursor for production of homomorphous Mn 3 O 4 and α-Mn 2 O 3 nanostructures by calcination at 400 deg. C under the atmosphere of argon and air, respectively. A possible growth mechanism for the MnCO 3 nanowires was also proposed.

Hydrothermal syntheses, structural, Raman, and luminescence studies of Cm[M(CN)2]3.3H2O and Pr[M(CN)2]3.3H2O (M=Ag, Au)

International Nuclear Information System (INIS)

Assefa, Zerihun; Haire, Richard G.; Sykora, Richard E.

2008-01-01

We have prepared Cm[Au(CN) 2 ] 3 .3H 2 O and Cm[Ag(CN) 2 ] 3 .3H 2 O as a part of our continuing investigations into the chemistry of the 5f-elements' dicyanometallates. Single crystals of Cm[Au(CN) 2 ] 3 .3H 2 O were obtained from the reaction of CmCl 3 and KAu(CN) 2 under mild hydrothermal conditions. Due to similarities in size, the related praseodymium compounds were also synthesized and characterized for comparison with the actinide systems. The compounds crystallize in the hexagonal space group P6 3 /mcm, where the curium and the transition metals interconnect through cyanide bridging. Crystallographic data (Mo Kα, λ=0.71073 A): Cm[Au(CN) 2 ] 3 .3H 2 O (1), a=6.6614(5) A, c=18.3135(13) A, V=703.77(9), Z=2; Pr[Au(CN) 2 ] 3 .3H 2 O (3), a=6.6662(8) A, c=18.497(3) A, V=711.83(17), Z=2; Pr[Ag(CN) 2 ] 3 .3H 2 O (4), a=6.7186(8) A, c=18.678(2) A, V=730.18(14), Z=2. The Cm 3+ and/or Pr 3+ ions are coordinated to six N-bound CN - groups resulting in a trigonal prismatic arrangement. Three oxygen atoms of coordinated water molecules tricap the trigonal prismatic arrangement providing a coordination number of nine for the f-elements. The curium ions in both compounds exhibit a strong red emission corresponding to the 6 D 7/2 → 8 S 7/2 transition. This transition is observed at 16,780 cm -1 , with shoulders at 17,080 and 16,840 cm -1 for the Ag complex, while the emission is red shifted by ∼100 cm -1 in the corresponding gold complex. The Pr systems also provide well-resolved emissions upon f-f excitation. - Graphical abstract: Coordination polymeric compounds between a trans-plutonium element, curium and transition metal ions, gold(I) and silver(I), were prepared using the hydrothermal synthetic procedure. The curium ion and the transition metals are interconnected through cyanide bridging. The Cm ion has a tricapped trigonal prismatic coordination environment with coordination number of nine. Detail photoluminescence studies of the complexes are also reported

Data development for ASTM E24.06.02 round robin program on instability prediction

Science.gov (United States)

Mccabe, D. E.

1979-01-01

Basis data for use in an ASTM E24.06.02 task group round robin activity was developed. Compact specimens were made of 2024-T351, 7075-T651 aluminum alloys, and 304 stainless steel. All were 12.7 mm thick and planar dimension variables incorporated were for 1T, 2T and 4T sizes. Representative raw data for each material and specimen size are contained herein. R-curves plotted in terms of delta a physical and delta a effective are plotted for each material.

47 CFR 90.379 - ASTM E2213-03 DSRC Standard (ASTM-DSRC Standard).

Science.gov (United States)

2010-10-01

... 47 Telecommunication 5 2010-10-01 2010-10-01 false ASTM E2213-03 DSRC Standard (ASTM-DSRC Standard... Communications Service (dsrcs) § 90.379 ASTM E2213-03 DSRC Standard (ASTM-DSRC Standard). Roadside Units... incorporated by reference: American Society for Testing and Materials (ASTM) E2213-03, “Standard Specification...

Cyanide-limited complexation of molybdenum(III): synthesis of octahedral [Mo(CN)(6)](3-) and cyano-bridged [Mo(2)(CN)(11)](5-).

Science.gov (United States)

Beauvais, Laurance G; Long, Jeffrey R

2002-03-13

Octahedral coordination of molybdenum(III) is achieved by limiting the amount of cyanide available upon complex formation. Reaction of Mo(CF(3)SO(3))(3) with LiCN in DMF affords Li(3)[Mo(CN)(6)] x 6DMF (1), featuring the previously unknown octahedral complex [Mo(CN)(6)](3-). The complex exhibits a room-temperature moment of mu(eff) = 3.80 mu(B), and assignment of its absorption bands leads to the ligand field parameters Delta(o) = 24800 cm(-1) and B = 247 cm(-1). Further restricting the available cyanide in a reaction between Mo(CF(3)SO(3))(3) and (Et(4)N)CN in DMF, followed by recrystallization from DMF/MeOH, yields (Et(4)N)(5)[Mo(2)(CN)(11)] x 2DMF x 2MeOH (2). The dinuclear [Mo(2)(CN)(11)](5-) complex featured therein contains two octahedrally coordinated Mo(III) centers spanned by a bridging cyanide ligand. A fit to the magnetic susceptibility data for 2, gives J = -113 cm(-1) and g = 2.33, representing the strongest antiferromagnetic coupling yet observed through a cyanide bridge. Efforts to incorporate these new complexes in magnetic Prussian blue-type solids are ongoing.

The new carbodiimide Li_2Gd_2Sr(CN_2)_5 having a crystal structure related to that of Gd_2(CN_2)_3

International Nuclear Information System (INIS)

Unverfehrt, Leonid; Stroebele, Markus; Meyer, H. Juergen

2013-01-01

The new carbodiimide compounds Li_2RE_2Sr(CN_2)_5 (RE = Sm, Gd, Eu, Tb) were prepared by a straight forward solid state metathesis reaction of REF_3, SrF_2, and Li_2(CN_2) at around 600 C. The crystal structure of Li_2Gd_2Sr(CN_2)_5 was solved based on X-ray single-crystal diffraction data. Corresponding Li_2RE_2Sr(CN_2)_5 compounds were analyzed by isotypic indexing of their powder patterns. The crystal structure of Li_2Gd_2Sr(CN_2)_5 can be well related to that of Gd_2(CN_2)_3, because both structures are based on layered structures composed of close packed layers of [N=C=N]"2"- sticks, alternating with layers of metal ions. The crystal structure of Li_2Gd_2Sr(CN_2)_5 can be considered to contain an ABC layer sequence of [N = C=N]"2"- layers with the interlayer voids being occupied by (three) distinct types of cations. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Chemical Complexity in Local Diffuse and Translucent Clouds: Ubiquitous Linear C3H and CH3CN, a Detection of HC3N and an Upper Limit on the Abundance of CH2CN

Science.gov (United States)

Liszt, Harvey; Gerin, Maryvonne; Beasley, Anthony; Pety, Jerome

2018-04-01

We present Jansky Very Large Array observations of 20–37 GHz absorption lines from nearby Galactic diffuse molecular gas seen against four cosmologically distant compact radio continuum sources. The main new observational results are that l-C3H and CH3CN are ubiqitous in the local diffuse molecular interstellar medium at {\\text{}}{A}{{V}} ≲ 1, while HC3N was seen only toward B0415 at {\\text{}}{A}{{V}} > 4 mag. The linear/cyclic ratio is much larger in C3H than in C3H2 and the ratio CH3CN/HCN is enhanced compared to TMC-1, although not as much as toward the Horsehead Nebula. More consequentially, this work completes a long-term program assessing the abundances of small hydrocarbons (CH, C2H, linear and cyclic C3H and C3 {{{H}}}2, and C4H and C4H‑) and the CN-bearing species (CN, HCN, HNC, HC3N, HC5N, and CH3CN): their systematics in diffuse molecular gas are presented in detail here. We also observed but did not strongly constrain the abundances of a few oxygen-bearing species, most prominently HNCO. We set limits on the column density of CH2CN, such that the anion CH2CN‑ is only viable as a carrier of diffuse interstellar bands if the N(CH2CN)/N(CH2CN‑) abundance ratio is much smaller in this species than in any others for which the anion has been observed. We argue that complex organic molecules (COMS) are not present in clouds meeting a reasonable definition of diffuse molecular gas, i.e., {\\text{}}{A}{{V}} ≲ 1 mag. Based on observations obtained with the NRAO Jansky Very Large Array (VLA).

Magnetic anisotropy of [Mo(CN)7]4- anions and fragments of cyano-bridged magnetic networks.

Science.gov (United States)

Chibotaru, Liviu F; Hendrickx, Marc F A; Clima, Sergiu; Larionova, Joulia; Ceulemans, Arnout

2005-08-18

Quantum chemistry calculations of CASSCF/CASPT2 level together with ligand field analysis are used for the investigation of magnetic anisotropy of [Mo(CN)7]4- complexes. We have considered three types of heptacyano environments: two ideal geometries, a pentagonal bipyramid and a capped trigonal prism, and the heptacyanomolybdate fragment of the cyano-bridged magnetic network K2[Mn(H2O)2]3[Mo(CN)7]2.6H2O. At all geometries the first excited Kramers doublet is found remarkably close to the ground one due to a small orbital energy gap in the ligand field spectrum, which ranges between a maximal value in the capped trigonal prism (800 cm(-1)) and zero in the pentagonal bipyramid. The small value of this gap explains (i) the axial form of the g tensor and (ii) the strong magnetic anisotropy even in strongly distorted complexes. Comparison with available experimental data for the g tensor of the mononuclear precursors reveals good agreement with the present calculations for the capped trigonal prismatic complex and a significant discrepancy for the pentagonal bipyramidal one. The calculations for the heptacyanomolybdate fragment of K2[Mn(H2O)2]3[Mo(CN)7]2.6H2O give g(perpendicular)/g(parallel) approximately 0.5 and the orientation of the local anisotropy axis close to the symmetry axis of an idealized pentagonal bipyramid. These findings are expected to be important for the understanding of the magnetism of anisotropic Mo(III)-Mn(II) cyano-bridged networks based on the [Mo(CN)7]4- building block.

Structural Series in the Ternary A-Mn-As System (A = Alkali Metal): Double-Layer-Type CsMn4As3 and RbMn4As3 and Tunnel-Type KMn4As3.

Science.gov (United States)

Ishida, Junichi; Iimura, Soshi; Hosono, Hideo

2018-04-16

New manganese arsenides CsMn 4 As 3 , RbMn 4 As 3 , and KMn 4 As 3 were synthesized by solid-state reaction. They consist of edge-sharing MnAs 4 tetrahedra, which are a building block similar to those of Fe-based superconductors. CsMn 4 As 3 and RbMn 4 As 3 adopt the KCu 4 S 3 -type structure (tetragonal P4/ mmm space group, No. 123) with a Mn 4 As 3 double layer, while KMn 4 As 3 has the CaFe 4 As 3 -type structure (orthorhombic Pnma space group, No. 62) with a Mn 4 As 3 tunnel framework. The structural change from CsMn 4 As 3 and RbMn 4 As 3 to KMn 4 As 3 as well as the structural trend of the other ternary A-Mn-As (A = alkali metal) and AE-Mn-As (AE = alkaline-earth metal) compounds is understood as a consequence of reduction of the coordination number around the A and AE sites owing to the decrease of the ionic radius from Cs + to Mg 2+ . Electrical resistivity measurements confirm that the three new phases are Mott insulators with band gaps of 0.52 (CsMn 4 As 3 ), 0.43 (RbMn 4 As 3 ), and 0.31 eV (KMn 4 As 3 ). Magnetic and heat capacity measurements revealed that CsMn 4 As 3 and RbMn 4 As 3 are antiferromagnets without apparent phase transitions below 400 K, which is similar to the magnetism of LaMnAsO and BaMn 2 As 2 , while the existence of the ferromagnetic component was indicated in KMn 4 As 3 with a magnetic transition at 179 K.

Pressure-induced polymerization of P(CN){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Gou, Huiyang, E-mail: hgou@ciw.edu, E-mail: tstrobel@ciw.edu; Kim, Duck Young; Strobel, Timothy A., E-mail: hgou@ciw.edu, E-mail: tstrobel@ciw.edu [Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road, NW, Washington, DC 20015 (United States); Yonke, Brendan L. [NRC Postdoctoral Associate, Naval Research Laboratory, 4555 Overlook Ave., SW, Washington, DC 20375 (United States); Epshteyn, Albert [Naval Research Laboratory, 4555 Overlook Ave., SW, Washington, DC 20375 (United States); Smith, Jesse S. [High Pressure Collaborative Access Team, Geophysical Laboratory, Carnegie Institution of Washington, Argonne, Illinois 60439 (United States)

2015-05-21

Motivated to explore the formation of novel extended carbon-nitrogen solids via well-defined molecular precursor pathways, we studied the chemical reactivity of highly pure phosphorous tricyanide, P(CN){sub 3}, under conditions of high pressure at room temperature. Raman and infrared (IR) spectroscopic measurements reveal a series of phase transformations below 10 GPa, and several low-frequency vibrational modes are reported for the first time. Synchrotron powder X-ray diffraction measurements taken during compression show that molecular P(CN){sub 3} is highly compressible, with a bulk modulus of 10.0 ± 0.3 GPa, and polymerizes into an amorphous solid above ∼10.0 GPa. Raman and IR spectra, together with first-principles molecular-dynamics simulations, show that the amorphization transition is associated with polymerization of the cyanide groups into CN bonds with predominantly sp{sup 2} character, similar to known carbon nitrides, resulting in a novel phosphorous carbon nitride (PCN) polymeric phase, which is recoverable to ambient pressure.

37 CFR 351.3 - Controversy and further proceedings.

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2010-07-01

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2010-04-01

... 19 Customs Duties 3 2010-04-01 2010-04-01 false Benefit. 351.503 Section 351.503 Customs Duties INTERNATIONAL TRADE ADMINISTRATION, DEPARTMENT OF COMMERCE ANTIDUMPING AND COUNTERVAILING DUTIES Identification and Measurement of Countervailable Subsidies § 351.503 Benefit. (a) Specific rules. In the case of a...

Syntheses and multi-NMR study of fac- and mer-OsO(3)F(2)(NCCH(3)) and the X-ray crystal structure (n = 2) and Raman spectrum (n = 0) of fac-OsO(3)F(2)(NCCH(3)).nCH(3)CN.

Science.gov (United States)

Hughes, Michael J; Gerken, Michael; Mercier, Hélène P A; Schrobilgen, Gary J

2010-06-07

Dissolution of the infinite chain polymer, (OsO(3)F(2))(infinity), in CH(3)CN solvent at -40 degrees C followed by solvent removal under vacuum at -40 degrees C yielded fac-OsO(3)F(2)(NCCH(3)).nCH(3)CN (n >/= 2). Continued pumping at -40 degrees C with removal of uncoordinated CH(3)CN yielded fac-OsO(3)F(2)(NCCH(3)). Both fac-OsO(3)F(2)(NCCH(3)).nCH(3)CN and fac-OsO(3)F(2)(NCCH(3)) are yellow-brown solids and were characterized by low-temperature (-150 degrees C) Raman spectroscopy. The crystal structure (-173 degrees C) of fac-OsO(3)F(2)(NCCH(3)).2CH(3)CN consists of two co-crystallized CH(3)CN molecules and a pseudo-octahedral OsO(3)F(2).NCCH(3) molecule in which three oxygen atoms are in a facial arrangement and CH(3)CN is coordinated trans to an oxygen atom in an end-on fashion. The Os---N bond length (2.205(3) A) is among the shortest M---N adduct bonds observed for a d(0) transition metal oxide fluoride. The (19)F NMR spectrum of (OsO(3)F(2))(infinity) in CH(3)CN solvent (-40 degrees C) is a singlet (-99.6 ppm) corresponding to fac-OsO(3)F(2)(NCCH(3)). The (1)H, (15)N, (13)C, and (19)F NMR spectra of (15)N-enriched OsO(3)F(2)(NCCH(3)) were recorded in SO(2)ClF solvent (-84 degrees C). Nitrogen-15 enrichment resulted in splitting of the (19)F resonance of fac-OsO(3)F(2)((15)NCCH(3)) into a doublet ((2)J((15)N-(19)F), 21 Hz). In addition, a doublet of doublets ((2)J((19)F(ax)-(19)F(eq)), 134 Hz; (2)J((15)N-(19)F(eq)), 18 Hz) and a doublet ((2)J((19)F(ax)-(19)F(eq)), 134 Hz) were observed in the (19)F NMR spectrum that have been assigned to mer-OsO(3)F(2)((15)NCCH(3)); however, coupling of (15)N to the axial fluorine-on-osmium environment could not be resolved. The nitrogen atom of CH(3)CN is coordinated trans to a fluorine ligand in the mer-isomer. Quantum-chemical calculations at the SVWN and B3LYP levels of theory were used to calculate the energy-minimized gas-phase geometries, vibrational frequencies of fac- and mer-OsO(3)F(2)(NCCH(3)) and of CH(3)CN. The

Cloning, Expression Profiling and Functional Analysis of CnHMGS, a Gene Encoding 3-hydroxy-3-Methylglutaryl Coenzyme A Synthase from Chamaemelum nobile

Directory of Open Access Journals (Sweden)

Shuiyuan Cheng

2016-03-01

Full Text Available Roman chamomile (Chamaemelum nobile L. is renowned for its production of essential oils, which major components are sesquiterpenoids. As the important enzyme in the sesquiterpenoid biosynthesis pathway, 3-hydroxy-3-methylglutaryl coenzyme A synthase (HMGS catalyze the crucial step in the mevalonate pathway in plants. To isolate and identify the functional genes involved in the sesquiterpene biosynthesis of C. nobile L., a HMGS gene designated as CnHMGS (GenBank Accession No. KU529969 was cloned from C. nobile. The cDNA sequence of CnHMGS contained a 1377 bp open reading frame encoding a 458-amino-acid protein. The sequence of the CnHMGS protein was highly homologous to those of HMGS proteins from other plant species. Phylogenetic tree analysis revealed that CnHMGS clustered with the HMGS of Asteraceae in the dicotyledon clade. Further functional complementation of CnHMGS in the mutant yeast strain YSC6274 lacking HMGS activity demonstrated that the cloned CnHMGS cDNA encodes a functional HMGS. Transcript profile analysis indicated that CnHMGS was preferentially expressed in flowers and roots of C. nobile. The expression of CnHMGS could be upregulated by exogenous elicitors, including methyl jasmonate and salicylic acid, suggesting that CnHMGS was elicitor-responsive. The characterization and expression analysis of CnHMGS is helpful to understand the biosynthesis of sesquiterpenoid in C. nobile at the molecular level and also provides molecular wealth for the biotechnological improvement of this important medicinal plant.

Cloning, Expression Profiling and Functional Analysis of CnHMGS, a Gene Encoding 3-hydroxy-3-Methylglutaryl Coenzyme A Synthase from Chamaemelum nobile.

Science.gov (United States)

Cheng, Shuiyuan; Wang, Xiaohui; Xu, Feng; Chen, Qiangwen; Tao, Tingting; Lei, Jing; Zhang, Weiwei; Liao, Yongling; Chang, Jie; Li, Xingxiang

2016-03-08

Roman chamomile (Chamaemelum nobile L.) is renowned for its production of essential oils, which major components are sesquiterpenoids. As the important enzyme in the sesquiterpenoid biosynthesis pathway, 3-hydroxy-3-methylglutaryl coenzyme A synthase (HMGS) catalyze the crucial step in the mevalonate pathway in plants. To isolate and identify the functional genes involved in the sesquiterpene biosynthesis of C. nobile L., a HMGS gene designated as CnHMGS (GenBank Accession No. KU529969) was cloned from C. nobile. The cDNA sequence of CnHMGS contained a 1377 bp open reading frame encoding a 458-amino-acid protein. The sequence of the CnHMGS protein was highly homologous to those of HMGS proteins from other plant species. Phylogenetic tree analysis revealed that CnHMGS clustered with the HMGS of Asteraceae in the dicotyledon clade. Further functional complementation of CnHMGS in the mutant yeast strain YSC6274 lacking HMGS activity demonstrated that the cloned CnHMGS cDNA encodes a functional HMGS. Transcript profile analysis indicated that CnHMGS was preferentially expressed in flowers and roots of C. nobile. The expression of CnHMGS could be upregulated by exogenous elicitors, including methyl jasmonate and salicylic acid, suggesting that CnHMGS was elicitor-responsive. The characterization and expression analysis of CnHMGS is helpful to understand the biosynthesis of sesquiterpenoid in C. nobile at the molecular level and also provides molecular wealth for the biotechnological improvement of this important medicinal plant.

Dissociation mechanisms and dynamics of doubly charged CD3CN observed by PEPIPICO spectroscopy

International Nuclear Information System (INIS)

Harada, C.; Tada, S.; Yamamoto, K.; Senba, Y.; Yoshida, H.; Hiraya, A.; Wada, S.; Tanaka, K.; Tabayashi, K.

2006-01-01

Dissociation of free acetonitrile-d 3 molecule, CD 3 CN induced by core level excitation was studied near the nitrogen K-edge by time-of-flight fragment mass spectroscopy. A variety of atomic and molecular fragment cations such as D + , CD n + , C 2 D n + , and CD n CN + were detected using the effusive CD 3 CN beam. Photoelectron-photoion-photoion coincidence technique was applied to analyse the dissociation mechanisms and dynamics of doubly charged CD 3 CN 2+ following the N(1s-π * ) excitation. The charge separation mechanisms of core-excited CD 3 CN were discussed in connection with Auger final state distributions

Luminescence Properties of Ca19Ce(PO4)14:A (A = Eu3+/Tb3+/Mn2+) Phosphors with Abundant Colors: Abnormal Coexistence of Ce4+/3+-Eu3+ and Energy Transfer of Ce3+ → Tb3+/Mn2+ and Tb3+-Mn2.

Science.gov (United States)

Shang, Mengmeng; Liang, Sisi; Lian, Hongzhou; Lin, Jun

2017-06-05

A series of Eu 3+ /Tb 3+ /Mn 2+ -ion-doped Ca 19 Ce(PO 4 ) 14 (CCPO) phosphors have been prepared via the conventional high-temperature solid-state reaction process. Under UV radiation, the CCPO host presents a broad blue emission band from Ce 3+ ions, which are generated during the preparation process because of the formation of deficiency. The Eu 3+ -doped CCPO phosphors can exhibit magenta to red-orange emission as a result of the abnormal coexistence of Ce 3+ /Ce 4+ /Eu 3+ and the metal-metal charge-transfer (MMCT) effect between Ce 3+ and Eu 3+ . When Tb 3+ /Mn 2+ are doped into the hosts, the samples excited with 300 nm UV light present multicolor emissions due to energy transfer (ET) from the host (Ce 3+ ) to the activators with increasing activator concentrations. The emitting colors of CCPO:Tb 3+ phosphors can be tuned from blue to green, and the CCPO:Mn 2+ phosphors can emit red light. The ET mechanism from the host (Ce 3+ ) to Tb 3+ /Mn 2+ is demonstrated to be a dipole-quadrapole interaction for Ce 3+ → Tb 3+ and an exchange interaction for Ce 3+ → Mn 2+ in CCPO:Tb 3+ /Mn 2+ . Abundant emission colors containing white emission were obtained in the Tb 3+ - and Mn 2+ -codoped CCPO phosphors through control of the levels of doped Tb 3+ and Mn 2+ ions. The white-emitted CCPO:Tb 3+ /Mn 2+ phosphor exhibited excellent thermal stability. The photoluminescence properties have shown that these materials might have potential for UV-pumped white-light-emitting diodes.

Synthesis and molecular structure of [Cu(NH3)4][Ni(CN)4]: A missing piece in the [Cu(NH3)n][Ni(CN)4] story

Science.gov (United States)

Solanki, Dina; Hogarth, Graeme

2015-11-01

Reaction of CuCl2·2H2O and K2[Ni(CN)4]·2H2O in aqueous ammonia gave blue rod-like crystals of [Cu(NH3)4][Ni(CN)4]. An X-ray crystallographic reveals that square-planar anions and cations are weakly associated through coordination of a cis pair of cyanide ligands to copper, with one short and one long contact and thus the copper centre is best described as a square-based pyramid. Crystals lose ammonia readily upon removal from the solvent and this has been probed by TGA and DSC measurements. For comparison we have also re-determined the structure of the related ethylenediamine (en) complex [Cu(en)2][Ni(CN)4] at 150 K. This consists of a 1D chain in which a trans pair of cyanide ligands bind to copper such that the latter has an overall tetragonally distorted octahedral coordination geometry.

A critical quantum chemical and experimental study of the potentiality of direct labeling of the CN group with [99mTc(CO)3]+ or [186/188Re(CO)3]+ in CN containing biomolecules

International Nuclear Information System (INIS)

Safi, Benasser; Mertens, John; Kersemans, Ken; Geerlings, Paul

2008-01-01

Introduction: It was determined recently that [ 99m Tc(OH 2 ) 2 (X - )(CO 3 ) 3 ] could strongly bind to the CN group, allowing direct labeling of CN in vitamin B 12 despite the presence of a benzimidazole group. The aim of this paper was to perform a critical study of this potentiality, coupling quantum chemical calculations to experimental evidence. Methods: Computational methods: Within the density functional theory calculations, the 6-31+G** basis set (C, H, O, N atoms) and the LANL2DZ basis set (Tc,Re) were used. Stability calculations of the [RCNM(CO) 3 ] + ) (M=Tc,Re) complexes were performed with the Gaussian 03 suite of programs, while for the evaluation of relative stability substitution reactions were used. Radiochemistry: Vitamin B 12 , 4-hydroxy-benzylcyanide and 4-methoxy-benzonitrile were labeled at 100 deg. C during 30 min. High-performance liquid chromatography analysis was performed using radioactive and UV detection. Results: Computational methods: The influence of different ligands on the stability yielded a sequence: imidazole>tBuCN>NH 3 ∼CH 3 CN>HCN (mimicking the best CoCN)>H 2 O. The transmetalation reaction indicates that all ligands prefer Re to Tc. The preference for the nitrogen atom of imidazole to the cyanide nitrogen atom for complex formation with [Tc(CO) 3 (H 2 O) 3 ] + is interpreted in terms of the hard and soft acid and base properties principle. Radiochemistry: 4-Hydroxy-benzylcyanide and 4-methoxy-benzonitrile did not show any labeling. An excess of acetonitrile did not inhibit the labeling of vitamin B 12 as expected if the CN group should be involved, indicating that the labeling occurs on a stronger complexing group present like benzimidazole. Conclusion: Both theory and experiments prove that [CN-Tc(CO) 3 (H 2 O) (2-x) L x ] + complexes are weak and that in vitamin B 12 most probably the benzimidazole group is involved

Formation of self-organized Mn3O4 nanoinclusions in LaMnO3 films

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Pomar, Alberto; Konstantinović, Zorica; Bagués, Nuria; Roqueta, Jaume; López-Mir, Laura; Balcells, Lluis; Frontera, Carlos; Mestres, Narcis; Gutiérrez-Llorente, Araceli; Šćepanović, Maja; Lazarević, Nenad; Popović, Zoran; Sandiumenge, Felip; Martínez, Benjamín; Santiso, José

2016-09-01

We present a single-step route to generate ordered nanocomposite thin films of secondary phase inclusions (Mn3O4) in a pristine perovskite matrix (LaMnO3) by taking advantage of the complex phase diagram of manganese oxides. We observed that in samples grown under vacuum growth conditions from a single LaMnO3 stoichiometric target by Pulsed Laser Deposition, the most favourable mechanism to accommodate Mn2+ cations is the spontaneous segregation of self-assembled wedge-like Mn3O4 ferrimagnetic inclusions inside a LaMnO3 matrix that still preserves its orthorhombic structure and its antiferromagnetic bulk-like behaviour. A detailed analysis on the formation of the self-assembled nanocomposite films evidences that Mn3O4 inclusions exhibit an epitaxial relationship with the surrounding matrix that it may be explained in terms of a distorted cubic spinel with slight ( 9º) c-axis tilting. Furthermore, a Ruddlesden-Popper La2MnO4 phase, helping to the stoichiometry balance, has been identified close to the interface with the substrate. We show that ferrimagnetic Mn3O4 columns influence the magnetic and transport properties of the nanocomposite by increasing its coercive field and by creating local areas with enhanced conductivity in the vicinity of the inclusions.

38 CFR 3.351 - Special monthly dependency and indemnity compensation, death compensation, pension and spouse's...

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2010-07-01

... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Special monthly dependency and indemnity compensation, death compensation, pension and spouse's compensation ratings. 3.351 Section 3.351 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS AFFAIRS ADJUDICATION Pension...

19 CFR 351.524 - Allocation of benefit to a particular time period.

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2010-04-01

... 19 Customs Duties 3 2010-04-01 2010-04-01 false Allocation of benefit to a particular time period. 351.524 Section 351.524 Customs Duties INTERNATIONAL TRADE ADMINISTRATION, DEPARTMENT OF COMMERCE... Allocation of benefit to a particular time period. Unless otherwise specified in §§ 351.504-351.523, the...

Local structure in LaMnO3 and CaMnO3 perovskites: A quantitative structural refinement of Mn K-edge XANES data

International Nuclear Information System (INIS)

Monesi, C.; Meneghini, C.; Bardelli, F.; Benfatto, M.; Mobilio, S.; Manju, U.; Sarma, D.D.

2005-01-01

Hole-doped perovskites such as La 1-x Ca x MnO 3 present special magnetic and magnetotransport properties, and it is commonly accepted that the local atomic structure around Mn ions plays a crucial role in determining these peculiar features. Therefore experimental techniques directly probing the local atomic structure, like x-ray absorption spectroscopy (XAS), have been widely exploited to deeply understand the physics of these compounds. Quantitative XAS analysis usually concerns the extended region [extended x-ray absorption fine structure (EXAFS)] of the absorption spectra. The near-edge region [x-ray absorption near-edge spectroscopy (XANES)] of XAS spectra can provide detailed complementary information on the electronic structure and local atomic topology around the absorber. However, the complexity of the XANES analysis usually prevents a quantitative understanding of the data. This work exploits the recently developed MXAN code to achieve a quantitative structural refinement of the Mn K-edge XANES of LaMnO 3 and CaMnO 3 compounds; they are the end compounds of the doped manganite series La x Ca 1-x MnO 3 . The results derived from the EXAFS and XANES analyses are in good agreement, demonstrating that a quantitative picture of the local structure can be obtained from XANES in these crystalline compounds. Moreover, the quantitative XANES analysis provides topological information not directly achievable from EXAFS data analysis. This work demonstrates that combining the analysis of extended and near-edge regions of Mn K-edge XAS spectra could provide a complete and accurate description of Mn local atomic environment in these compounds

Formation of self-organized Mn3O4 nanoinclusions in LaMnO3 films

Directory of Open Access Journals (Sweden)

Alberto Pomar

2016-09-01

Full Text Available We present a single-step route to generate ordered nanocomposite thin films of secondary phase inclusions (Mn3O4 in a pristine perovskite matrix (LaMnO3 by taking advantage of the complex phase diagram of manganese oxides. We observed that in samples grown under vacuum growth conditions from a single LaMnO3 stoichiometric target by Pulsed Laser Deposition, the most favourable mechanism to accommodate Mn2+ cations is the spontaneous segregation of self-assembled wedge-like Mn3O4 ferrimagnetic inclusions inside a LaMnO3 matrix that still preserves its orthorhombic structure and its antiferromagnetic bulk-like behaviour. A detailed analysis on the formation of the self-assembled nanocomposite films evidences that Mn3O4 inclusions exhibit an epitaxial relationship with the surrounding matrix that it may be explained in terms of a distorted cubic spinel with slight (~9º c-axis tilting. Furthermore, a Ruddlesden-Popper La2MnO4 phase, helping to the stoichiometry balance, has been identified close to the interface with the substrate. We show that ferrimagnetic Mn3O4 columns influence the magnetic and transport properties of the nanocomposite by increasing its coercive field and by creating local areas with enhanced conductivity in the vicinity of the inclusions.

Dramatic Influence of an Anionic Donor on the Oxygen-Atom Transfer Reactivity of a MnV–Oxo Complex

Science.gov (United States)

Neu, Heather M; Quesne, Matthew G; Yang, Tzuhsiung; Prokop-Prigge, Katharine A; Lancaster, Kyle M; Donohoe, James; DeBeer, Serena; de Visser, Sam P; Goldberg, David P

2014-01-01

Addition of an anionic donor to an MnV(O) porphyrinoid complex causes a dramatic increase in 2-electron oxygen-atom-transfer (OAT) chemistry. The 6-coordinate [MnV(O)(TBP8Cz)(CN)]− was generated from addition of Bu4N+CN− to the 5-coordinate MnV(O) precursor. The cyanide-ligated complex was characterized for the first time by Mn K-edge X-ray absorption spectroscopy (XAS) and gives Mn–O=1.53 Å, Mn–CN=2.21 Å. In combination with computational studies these distances were shown to correlate with a singlet ground state. Reaction of the CN− complex with thioethers results in OAT to give the corresponding sulfoxide and a 2e−-reduced MnIII(CN)− complex. Kinetic measurements reveal a dramatic rate enhancement for OAT of approximately 24 000-fold versus the same reaction for the parent 5-coordinate complex. An Eyring analysis gives ΔH≠=14 kcal mol−1, ΔS≠=−10 cal mol−1 K−1. Computational studies fully support the structures, spin states, and relative reactivity of the 5- and 6-coordinate MnV(O) complexes. PMID:25256417

Competition of the Peierls relief and structural defects in damping the domain walls in [Mn left brace (R/S)-pn right brace]2[Mn left brace(R/S)-pn right brace2(H2O)][Cr(CN)6]2 ferrimagnet

International Nuclear Information System (INIS)

Talantsev, A.D.; Kollak, O.V.; Kirman, M.V.; Morgunov, R.B.

2015-01-01

The [ [Mn left brace (R/S)-pn right brace] 2 [Mn left brace(R/S)-pn right brace 2 (H 2 O)][Cr(CN) 6 ] 2 molecular ferrimagnet exhibits an inverse sequence of changes in the domain wall motion regimes with increasing temperature in alternative magnetic field of 0.04-1400 Hz frequency. Initiation of the relaxation regime on the background of creep indicates that there are two different systems of the domain walls damping. The threshold amplitude of the alternative magnetic field corresponds to the Peierls relief contribution to the domain wall dynamics as well as the defect contribution usually considered.

Identification of a potential superhard compound ReCN

International Nuclear Information System (INIS)

Fan, Xiaofeng; Li, M.M.; Singh, David J.; Jiang, Qing; Zheng, W.T.

2015-01-01

Highlights: • We identify a new ternary compound ReCN with theoretical calculation. • The ternary compound ReCN is with two stable structures with P63mc and P3m1. • ReCN is a semiconductor from the calculation of electronic structures. • ReCN is found to possess the outstanding mechanical properties. • ReCN may be synthesized relatively easily. - Abstract: We identify a new ternary compound, ReCN and characterize its properties including structural stability and indicators of hardness using first principles calculations. We find that there are two stable structures with space groups P63mc (HI) and P3m1 (HII), in which there are no C–C and N–N bonds. Both structures, H1 and III are elastically and dynamically stable. The electronic structures show that ReCN is a semiconductor, although the parent compounds, ReC 2 and ReN 2 are both metallic. ReCN is found to possess the outstanding mechanical properties with the large bulk modulus, shear modulus and excellent ideal strengths. In addition, ReCN may perhaps be synthesized relatively easily because it becomes thermodynamic stable with respect to decomposition at very low pressures

Synthesis and crystal structure of the cesium silver permanganate Cs_3Ag[MnO_4]_4

International Nuclear Information System (INIS)

Bauchert, Joerg M.; Henning, Harald; Schleid, Thomas

2012-01-01

After successful syntheses and structural refinements of the already known permanganates of cesium (Cs[MnO_4]) and silver (Ag[MnO_4]) we started to blend aqueous solutions of both components in various molar ratios. From crystallization experiments of these mixtures only three species of crystals with different chemical compositions were obtained: tricesium monosilver tetrakispermanganate (Cs_3Ag[MnO_4]_4) and, depending upon the respective ratio, either additional silver permanganate or surplus cesium permanganate, namely. The new title compound crystallizes in the orthorhombic space group Pnnm (no. 58) with two formula units per unit cell and cell dimensions of a = 764.53(4), b = 1883.57(9) and c = 584.34(3) pm. The crystal structure of Cs_3Ag[MnO_4]_4 consists of two crystallographically distinguishable cesium cations. (Cs1)"+ is surrounded by fourteen oxygen atoms constructing a slightly distorted bicapped hexagonal prism. These polyhedra are connected through edge-sharing with two other polyhedra of this kind to form chains along [001]. The chains are linked to each other via sixfold coordinated Ag"+ cations (d(Ag-O) = 238-246 pm), arranged in such a manner that they link three oxygen atoms of two cesium polyhedra, leading to a two-dimensional layer spreading out parallel to the (001) plane. Together with the two crystallographically different tetrahedral oxomanganate(VII) anions [MnO_4]"- (d(Mn-O) = 161-162 pm) the other kind of cesium cations ((Cs2)"+ with CN = 13) finally connect these layers three-dimensionally. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Low-temperature molar heat capacities and entropies of MnO2 (pyrolusite), Mn3O4 (hausmanite), and Mn2O3 (bixbyite)

Science.gov (United States)

Robie, R.A.; Hemingway, B.S.

1985-01-01

Pyrolusite (MnO2), hausmanite (Mn3O4), and bixbyite (Mn2O3), are important ore minerals of manganese and accurate values for their thermodynamic properties are desirable to understand better the {p(O2), T} conditions of their formation. To provide accurate values for the entropies of these important manganese minerals, we have measured their heat capacities between approximately 5 and 380 K using a fully automatic adiabatically-shielded calorimeter. All three minerals are paramagnetic above 100 K and become antiferromagnetic or ferrimagnetic at lower temperatures. This transition is expressed by a sharp ??-type anomaly in Cpmo for each compound with Ne??el temperatures TN of (92.2??0.2), (43.1??0.2), and (79.45??0.05) K for MnO2, Mn3O4, and Mn2O3, respectively. In addition, at T ??? 308 K, Mn2O3 undergoes a crystallographic transition, from orthorhombic (at low temperatures) to cubic. A significant thermal effect is associated with this change. Hausmanite is ferrimagnetic below TN and in addition to the normal ??-shape of the heat-capacity maxima in MnO2 and Mn2O3, it has a second rounded maximum at 40.5 K. The origin of this subsidiary bump in the heat capacity is unknown but may be related to a similar "anomalous bump" in the curve of magnetization against temperature at about 39 K observed by Dwight and Menyuk.(1) At 298.15 K the standard molar entropies of MnO2, Mn3O4, and Mn2O3, are (52.75??0.07), (164.1??0.2), and (113.7??0.2) J??K-1??mol-1, respectively. Our value for Mn3O4 is greater than that adopted in the National Bureau of Standards tables(2) by 14 per cent. ?? 1985.

14 CFR 135.351 - Recurrent training.

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2010-01-01

... appropriate, including low-altitude windshear training and training on operating during ground icing... 14 Aeronautics and Space 3 2010-01-01 2010-01-01 false Recurrent training. 135.351 Section 135.351... AND ON DEMAND OPERATIONS AND RULES GOVERNING PERSONS ON BOARD SUCH AIRCRAFT Training § 135.351...

Cooled optically stimulated luminescence in CaF2:Mn

International Nuclear Information System (INIS)

Miller, S.D.; Endres, G.W.R.; McDonald, J.C.; Swinth, K.L.

1988-01-01

A new optically stimulated luminescence technique has been developed for the readout of CaF 2 :Mn thermoluminescent material. Minimum detectable gamma exposures may potentially be measured at 10 nC.kg -1 using the 254 nm line of a mercury lamp. Additional studies were done on CaF 2 :Mn using 351 nm excimer laser stimulation. (author)

First-principles analysis of ferroelectric transition in MnSnO3 and MnTiO3 perovskites

Science.gov (United States)

Kang, Sung Gu

2018-06-01

The ferroelectric instabilities of an artificially adopted Pnma structure in low tolerance perovskites have been explored (Kang et al., 2017) [4], where an unstable A-site environment was reported to be the major driving source for the low tolerance perovskites to exhibit ferroelectric instability. This study examined the ferroelectric transition of two magnetic perovskite materials, MnSnO3 and MnTiO3, in Pnma phase. Phase transitions to the Pnma phase at elevated pressures were observed. MnSnO3, which has a lower (larger) tolerance factor (B-site cation radius), showed a higher ferroelectric mode amplitude than MnTiO3. The distribution of the bond length of Mn-O and the mean quadratic elongation (QE) of octahedra (SnO6 or TiO6) were investigated for structural analysis. However, MnTiO3 showed a larger spontaneous polarization than MnSnO3 due to high Born effective charges of titanium. This study is useful because it provides a valuable pathway to the design of promising multiferroic materials.

Energy transfer between Pr3+ and Mn2+ in K2YZr(PO4)3: Pr, Mn phosphor

International Nuclear Information System (INIS)

Liang Wei; Wang Yuhua

2011-01-01

Research highlights: → Pr 3+ , Mn 2+ co-doped K 2 YZr(PO 4 ) 3 phosphor is a novel type of practical visible quantum cutting phosphor in promising application. → The optimal quantum efficiency (QE) of this co-doped system K 2 YZr(PO 4 ) 3 : Pr 3+ , Mn 2+ reached to 126.3%. → The Mn 2+6 A 1g → 4 E g - 4 A 1g transition was found to coincide well with the 1 S 0 → 1 I 6 transition of Pr 3+ . → The energy transfer from Pr 3+ to Mn 2+ was also observed, converting the first photon from the PCE of Pr 3+ into the red emission of Mn 2+ , and the QC process occurred in this Pr 3+ , Mn 2+ co-doped K 2 YZr(PO 4 ) 3 phosphor. - Abstract: Pr 3+ , Mn 2+ co-doped K 2 YZr(PO 4 ) 3 samples were prepared by solid-state reaction method and their photoluminescence (PL) properties were investigated in ultra-violet (UV) and vacuum ultra-violet (VUV) region. The results indicated that in Pr 3+ singly doped K 2 YZr(PO 4 ) 3 sample, the first-step transition ( 1 S 0 → 1 I 6 , 3 P J around 405 nm) of Pr 3+ is near the ultraviolet (UV) range, not useful for practical application. When Mn 2+ was doped as a co-activator ion, the energy of 1 S 0 → 1 I 6 , 3 P J transition can be transferred synchronously from Pr 3+ to Mn 2+ and then emit a visible photon. The optimal quantum efficiency (QE) of this co-doped system K 2 YZr(PO 4 ) 3 : Pr 3+ , Mn 2+ reached to 126.3%, suggesting a novel type of practical visible quantum cutting phosphor in promising application.

Direct evidence of the existence of Mn3+ ions in MnTiO3

Science.gov (United States)

Maurya, R. K.; Sharma, Priyamedha; Patel, Ashutosh; Bindu, R.

2017-08-01

We investigate the room temperature electronic properties of MnTiO3 synthesised by different preparation conditions. For this purpose, we prepared MnTiO3 under two different cooling rates, one is naturally cooled while the other is quenched in liq.nitrogen. The samples were studied using optical absorbance, photoemission spectroscopy and band structure calculations. We observe significant changes in the structural parameters as a result of quenching. Interestingly, in the parent compound, our combined core level, valence band and optical absorbance studies give evidence of the Mn existence in both 2+ and 3+ states. The fraction of Mn3+ ions has been found to increase on quenching MnTiO3 suggests an increase in oxygen non-stoichiometry. The increase in the fraction of the Mn3+ ions has been manifested a) as slight enhancement in the intensity of the optical absorbance in the visible region. There occurs persistent photo-resistance when the incident light is terminated after shining; b) in the behaviour of the features (close to Fermi level) in the valence band spectra. Hence, the combined analysis of the core level, valence band and optical absorbance spectra suggests that the charge carriers are hole like which further leads to the increase in the electrical conductivity of the quenched sample. The present results provide a recipe to tune the optical absorption in the visible range for its applications in optical sensors, solar cell, etc.

Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn4Ln2 coordination clusters.

Science.gov (United States)

Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A; Zheng, Yan-Zhen; Anson, Christopher E; Powell, Annie K

2018-03-06

Three isostructural lanthanide series with a core of MnMnLn 2 are reported. These three families have the formulae of [MnMnLn 2 (μ 4 -O) 2 (H 2 edte) 2 (piv) 6 (NO 3 ) 2 ] {no crystallization solvent, Ln = La, Ce, Pr, Nd, Eu (1-4, 6); solv = 3MeCN, Ln = Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Y (5, 7-13)}, where H 2 edte = N,N,N',N'-tetrakis(2-hydroxyethyl)ethylenediamine and piv = pivalate; [MnMnLn 2 (μ 4 -O) 2 (H 2 edte) 2 (benz) 6 (NO 3 ) 2 ], where benz = benzoate, or [MnMnLn 2 (μ 4 -O) 2 (edteH 2 ) 2 (benz) 6 (NO 3 ) 2 ]·2MeCN {Ln = Gd, Tb, Dy (14-16); and [MnMnLn 2 (μ 4 -O) 2 (edteH 2 ) 2 (piv) 8 ].solv {solv = 4MeCN, Ln = La (17); solv = 2MeCN·tol·H 2 O, Ln = Pr, Nd, Sm, Tb (18-20, 22); solv = 2MeCN·H 2 O, Ln = Gd (21). These compounds crystallize in two different systems, namely, monoclinic in the space groups P2 1 /n for 1-4, 6, and 14-16 and C2/c for 5, 7-13, 18-20, and 22 and triclinic in the space group P1[combining macron] for 17 and 21. The crystal structures of these compounds display a face-fused dicubane structure connected by different types of bridged oxygen atoms. Solid-state dc magnetic susceptibility characterization was carried out for 1-22, and fitting showed that Mn III Mn III is antiferromagnetically (AF) coupled and Mn II Mn III , Mn II Ln and Mn III Ln are weakly ferromagnetically coupled. In addition, ac measurements were carried out and showed that only 7, 15, and 22 for Tb, 8 and 16 for Dy, and 20 for Sm exhibited slow magnetization relaxation. In the case of 15, it was possible to determine the energy barrier of the slow-relaxation behavior by fitting peak temperatures to the Arrhenius law, which gave a value of U eff = 21.2 K and a pre-exponential factor of τ 0 = 4.0 × 10 -9 s.

CN in dark clouds

International Nuclear Information System (INIS)

Churchwell, E.; Bieging, J.H.

1983-01-01

We have detected CN (N = 1--0) emission toward six locations in the Taurus dark cloud complex, but not toward L183 or B227. The two hyperfine components, F = 3/2--1/2 and F = 5/2--3/2 (of J = 3/2--1/2), have intensity ratios near unity toward four locations in Taurus, consistent with large line optical depths. CN column densities are found to be > or approx. =6 x 10 13 cm -2 in those directions where the hyperfine ratios are near unity. By comparing CN with NH 3 and C 18 O column densities, we find that the relative abundance of CN in the Taurus cloudlets is at least a factor of 10 greater than in L183. In this respect, CN fits the pattern of enhanced abundances of carbon-bearing molecules (in partricular the cyanopolyynes) in the Taurus cloudlets relative to similar dark clouds outside Taurus

ESR studies of electron irradiated K3Ir(CN)6 in KCl single crystals

International Nuclear Information System (INIS)

Vugman, N.V.; Pinhal, N.M.

1983-01-01

ESR studies of KCl single crystals doped with small amounts of K 3 Ir(CN) 6 and submitted to a prolongued 2 MeV electron irradiation at room temperature reveal the presence of the [IR(CN) 5 Cl] 4- and [Ir(CN) 4 Cl 2 ] 4- new molecular species. Ligand spin densities and ligand field parameters are calculated from the experimental hyperfine and superhyperfine interactions and compared to previous data on the [Ir(CN) 5 ] 4- species. (Author) [pt

Combating Wear of ASTM A36 Steel by Surface Modification Using Thermally Sprayed Cermet Coatings

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Vineet Shibe

2016-01-01

Full Text Available Thermal spray coatings can be applied economically on machine parts to enhance their requisite surface properties like wear, corrosion, erosion resistance, and so forth. Detonation gun (D-Gun thermal spray coatings can be applied on the surface of carbon steels to improve their wear resistance. In the present study, alloy powder cermet coatings WC-12% Co and Cr3C2-25% NiCr have been deposited on ASTM A36 steel with D-Gun thermal spray technique. Sliding wear behavior of uncoated ASTM A36 steel and D-Gun sprayed WC-12% Co and Cr3C2-25% NiCr coatings on base material is observed on a Pin-On-Disc Wear Tester. Sliding wear performance of WC-12% Co coating is found to be better than the Cr3C2-25% NiCr coating. Wear performance of both these cermet coatings is found to be better than uncoated ASTM A36 steel. Thermally sprayed WC-12% Co and Cr3C2-25% NiCr cermet coatings using D-Gun thermal spray technique is found to be very useful in improving the sliding wear resistance of ASTM A36 steel.

Phonons and colossal thermal expansion behavior of Ag3Co(CN)6 and Ag3Fe(CN)6.

Science.gov (United States)

Mittal, R; Zbiri, M; Schober, H; Achary, S N; Tyagi, A K; Chaplot, S L

2012-12-19

Recently colossal volume thermal expansion has been observed in the framework compounds Ag(3)Co(CN)(6) and Ag(3)Fe(CN)(6). We have measured phonon spectra using neutron time-of-flight spectroscopy as a function of temperature and pressure. Ab initio calculations were carried out for the sake of analysis and interpretation. Bonding is found to be very similar in the two compounds. At ambient pressure, modes in the intermediate frequency part of the vibrational spectra in the Co compound are shifted slightly to higher energies as compared to the Fe compound. The temperature dependence of the phonon spectra gives evidence for a large explicit anharmonic contribution to the total anharmonicity for low-energy modes below 5 meV. We have found that modes are mainly affected by the change in size of the unit cell, which in turn changes the bond lengths and vibrational frequencies. Thermal expansion has been calculated via the volume dependence of phonon spectra. Our analysis indicates that Ag phonon modes within the energy range 2-5 meV are strongly anharmonic and major contributors to thermal expansion in both systems. The application of pressure hardens the low-energy part of the phonon spectra involving Ag vibrations and confirms the highly anharmonic nature of these modes.

Enhancement of electrochemical performance of LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2 by surface modification with MnO_2

International Nuclear Information System (INIS)

Guo, Xin; Cong, Li-Na; Zhao, Qin; Tai, Ling-Hua; Wu, Xing-Long; Zhang, Jing-Ping; Wang, Rong-Shun; Xie, Hai-Ming; Sun, Li-Qun

2015-01-01

LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2 is successfully coated with MnO_2 by a chemical deposition method. The X-ray diffraction (XRD), scanning electron microscope (SEM) and high resolution transmission electron microscope (HRTEM) results demonstrate that MnO_2 forms a thin layer on the surface of LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2 without destroying the crystal structure of the core material. Compared with pristine LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2, the MnO_2-coated sample shows enhanced electrochemical performance especially the rate capability. Even at a current density of 750 mA g"−"1, the discharge capacity of MnO_2-coated LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2 is 155.15 mAh g"−"1, while that of the pristine electrode is only 132.84 mAh g"−"1 in the range of 2.5–4.5 V. The cyclic voltammetry (CV) and X-ray photoelectron spectroscopy (XPS) curves show that the MnO_2 coating layer reacts with Li"+ during cycling, which is responsible for the higher discharge capacity of MnO_2-coated LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2. Electrochemical impedance spectroscopy (EIS) results confirmed that the MnO_2 coating layer plays an important role in reducing the charge transfer resistance on the electrolyte–electrode interfaces. - Highlights: • MnO_2 coated LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2 cathode material is synthesized for the first time. • MnO_2 offers available sites for insertion of extracted lithium. • The preserved surface and crystal structures results in the improved kinetics.

Structure and magnetic properties of La2/3Sr1/3MnO3/CaMnO3 multilayers

International Nuclear Information System (INIS)

Granada, Mara; Sirena, Martin; Steren, Laura B.; Leyva, Gabriela

2004-01-01

Structural and magnetic properties of manganite-based multilayers, La 2/3 Sr 1/3 MnO 3 /CaMnO 3 , composed of ferromagnetic metals and antiferromagnetic insulator barriers are investigated in this work. Compounds of similar lattice parameters were used to build the samples, so we expect an excellent stacking of the different layers along the structure. To get a first insight of this system, the crystalline structure of a series of samples, grown on (1 0 0) SrTiO 3 and (1 0 0) MgO single-crystalline substrates, has been studied. X-ray diffraction patterns show that the structure is strongly textured in the (1 0 0) direction when grown on SrTiO 3 , regardless the composition of the bottom layer. A different result is found on the same system grown on MgO: when the buffer layer is CaMnO 3 , the structure grows in the (1 1 0) orientation while it grows in the (1 0 0) direction when the bottom layer is La 2/3 Sr 1/3 MnO 3 . Magnetic coupling of the ferromagnetic layers across the antiferromagnetic spacer has been studied with magnetization measurements

Spin coherence in a Mn{sub 3} single-molecule magnet

Energy Technology Data Exchange (ETDEWEB)

Abeywardana, Chathuranga [Department of Chemistry, University of Southern California, Los Angeles, California 90089 (United States); Mowson, Andrew M.; Christou, George [Department of Chemistry, University of Florida, Gainesville, Florida 32611 (United States); Takahashi, Susumu, E-mail: susumu.takahashi@usc.edu [Department of Chemistry, University of Southern California, Los Angeles, California 90089 (United States); Department of Physics, University of Southern California, Los Angeles, California 90089 (United States)

2016-01-25

Spin coherence in single crystals of the spin S = 6 single-molecule magnet (SMM) [Mn{sub 3}O(O{sub 2}CEt){sub 3}(mpko){sub 3}]{sup +} (abbreviated Mn{sub 3}) has been investigated using 230 GHz electron paramagnetic resonance spectroscopy. Coherence in Mn{sub 3} was uncovered by significantly suppressing dipolar contribution to the decoherence with complete spin polarization of Mn{sub 3} SMMs. The temperature dependence of spin decoherence time (T{sub 2}) revealed that the dipolar decoherence is the dominant source of decoherence in Mn{sub 3} and T{sub 2} can be extended up to 267 ns by quenching the dipolar decoherence.

19 CFR 351.514 - Export subsidies.

Science.gov (United States)

2010-04-01

... 19 Customs Duties 3 2010-04-01 2010-04-01 false Export subsidies. 351.514 Section 351.514 Customs Duties INTERNATIONAL TRADE ADMINISTRATION, DEPARTMENT OF COMMERCE ANTIDUMPING AND COUNTERVAILING DUTIES... government, a benefit does not exist if the Secretary determines that the activities consist of general...

ASTM reference radiologic digital image standards

International Nuclear Information System (INIS)

Wysnewski, R.; Wysnewski, D.

1996-01-01

ASTM Reference Radiographs have been essential in defining industry's material defect grade levels for many years. ASTM Reference Radiographs are used extensively as even the American Society for Metals Nondestructive Inspection and Quality Control Metals Handbook, Volume 11, eighth edition refers to ASTM Standard Reference Radiographs. The recently published E 1648 Standard Reference Radiographs for Examination of Aluminum Fusion Welds is a prime example of the on-going need for these references. To date, 14 Standard Reference Radiographs have been published to characterize material defects. Standard Reference Radiographs do not adequately address film-less radiologic methods. There are differences in mediums to content with. On a computer CRT defect indications appear differently when compared to indications viewed in a radiograph on a view box. Industry that uses non-film radiologic methods of inspection can be burdened with additional time and money developing internal standard reference radiologic images. These references may be deemed necessary for grading levels of product defects. Because there are no ASTM Standard Reference Radiologic data files for addressing this need in the industry, the authors of this paper suggested implementing a method for their creation under ASTM supervision. ASTM can assure continuity to those users making the transition from analog radiographic images to digital image data by swiftly addressing the requirements for reference digital image standards. The current status and possible future activities regarding a method to create digital data files is presented in this paper summary

Local Structure of Mn in (La1-xHox)2/3Ca1/3MnO3 Studied by X-ray Absorption Fine Structure

International Nuclear Information System (INIS)

Pietnoczka, A.; Bacewicz, R.; Antonowicz, J.; Zalewski, W.; Pekala, M.; Drozd, V.; Fagnard, J.F.; Vanderbemden, P.

2010-01-01

Results of X-ray absorption fine structure measurements in manganites (La 1-x Ho x ) 2/3 Ca 1/3 MnO 3 with 0.15 3 is doped with a divalent element such as Ca 2+ , substituting for La 3+ , holes are induced in the filled Mn d orbitals. This leads to a strong ferromagnetic coupling between Mn sites. Ca ions in La 1-x Ca x MnO 3 introduce a distortion of the crystal lattice and mixed valence Mn ions (Mn 3+ and Mn 4+ ). On the other hand, in manganites (La 1-x Ho x ) 2/3 Ca 1/3 MnO 3 the substitution of La for Ho causes a lattice distortion and induces a disorder, which reduces a magnetic interaction. The ferromagnetic transition temperature and conductivity decrease very quickly with increasing x. The magnetic and transport properties of compounds depend on the local atomic structure around Mn ions. The information on the bond lengths and Debye-Waller factor are obtained from the extended X-ray absorption fine structure (EXAFS) data analysis. The charge state of Mn is determined from the position of the absorption edge in X-ray absorption near edge structure (XANES) data. XAFS results are in good agreement with magnetic characteristics of the studied materials. (authors)

Mn(HPO3): A new manganese (II) phosphite with a condensed structure

International Nuclear Information System (INIS)

Chung, U-Chan; Mesa, Jose L.; Pizarro, Jose L.; Jubera, Veronique; Lezama, Luis; Arriortua, Maria I.; Rojo, Teofilo

2005-01-01

A new manganese (II) phosphite with the formula Mn(HPO 3 ) has been synthesised under mild hydrothermal conditions and autogenous pressure. Large pink coloured single crystals were obtained, allowing the resolution of the structure by x-ray diffraction. Mn(HPO 3 ) crystallises in the P2 1 /c monoclinic space group with a=8.036(3) A, b=8.240(3) A, c=10.410(3) A, β=124.73(3) deg. and Z=8. The structure consists of a three-dimensional, compact framework of edge sharing MnO 6 octahedra linked to phosphite groups via oxygens. The presence of the phosphite anion has been confirmed by IR spectroscopy. Mn(HPO 3 ) presents a high thermal stability limit of 580 deg. C, before rapid transformation to Mn 2 P 2 O 7 occurs. Photoluminescence and diffuse reflectance spectroscopy studies show the presence of high spin Mn(II) in significantly distorted octahedral coordination with Dq and Racah parameters of Dq=820, B=910 and C=3135 cm -1 . The ESR spectra, performed at different temperatures, are isotropic with a g-value of 2.00(1). Magnetic measurements indicate global antiferromagnetic interactions with a ferromagnetic transition at 15 K, attributed to a canting of the antiferromagneticaly aligned spins. - Graphical abstract: Crystal structure of Mn(HPO 3 )

Supramolecular architecture based on [Fe(CN)6]3- metallotectons and melaminium synthons

Science.gov (United States)

Krichen, Firas; Walha, Siwar; Lhoste, Jérôme; Bulou, Alain; Kabadou, Ahlem; Goutenoire, François

2017-10-01

Assembly involving [Fe(CN)6]3- metallotectons as building units and melaminium organic cation has been envisioned in order to elaborate a hybrid supramolecular based on ionic H-bonds with formula {(H-mel)4[Fe(CN)6]Cl} (H-mel+: melaminium cation). The compound has been prepared by diffusion method and characterized by single-crystal X-ray diffraction, EDX analysis, and Raman-IR spectroscopies with assignment from ab initio calculations. The melaminium exhibit self cationic coupling with cyclic hydrogen bonds to give a one dimensional {[H-mel]+}∝ synthon. Therefore, these cationic ribbons are inter-linked via hydrogen bonds by the anionic tectons [Fe(CN)6]3- and chlorine anion resulting on a 3D network. Molecular hirshfeld surfaces revealed that the crystal structure has been supported mainly by Nsbnd H⋯N and Nsbnd H⋯Cl intermolecular Hydrogen bonds and by favoured C⋯C and C⋯N weak interactions.

M(1,6-HEXANEDİTHİOLNi(CN4 BİLEŞİKLERİNİN KIRMIZIALTI SPEKTROSKOPİSİ İLE İNCELENMESİ (M=Ni, Cd, Co, Mn VE Zn

Directory of Open Access Journals (Sweden)

Zeki KARTAL

2009-02-01

Full Text Available Bu çalışmada, genel formülü M(1,6-HexanedithiolNi(CN4 (M = Ni, Cd, Co, Mn ve Zn olan Hofmann-tipi bileşikler kimyasal yollardan ilk kez elde edildi. Elde edilen bileşiklerin kırmızıaltı spektrumları, 4000 cm-1- 400 cm-1 bölgesinde kaydedildi. Spektrumların incelenmesi, bileşik yapılarının │M-Ni(CN4│∞ polimerik tabakalardan oluştuğunu ve ligand molekülünün, kare düzlemsel yapıdaki metal atomlarına kükürt atomlarından bağlandığını göstermektedir.

Molecular orbital (SCF-X-α-SW) theory of Fe2+-Mn3+, Fe3+-Mn2+, and Fe3+-Mn3+ charge transfer and magnetic exchange in oxides and silicates

Science.gov (United States)

Sherman, David M.

1990-01-01

Metal-metal charge-transfer and magnetic exchange interactions have important effects on the optical spectra, crystal chemistry, and physics of minerals. Previous molecular orbital calculations have provided insight on the nature of Fe2+-Fe3+ and Fe2+-Ti4+ charge-transfer transitions in oxides and silicates. In this work, spin-unrestricted molecular orbital calculations on (FeMnO10) clusters are used to study the nature of magnetic exchange and electron delocalization (charge transfer) associated with Fe3+-Mn2+, Fe3+-Mn3+, and Fe2+-Mn3+ interactions in oxides and silicates. 

Sorption Mechanisms of Cesium on Cu II2Fe II(CN) 6and Cu II3[Fe III(CN) 6] 2Hexacyanoferrates and Their Relation to the Crystalline Structure

Science.gov (United States)

Ayrault, S.; Jimenez, B.; Garnier, E.; Fedoroff, M.; Jones, D. J.; Loos-Neskovic, C.

1998-12-01

CuII2FeII(CN)6·xH2O and CuII3[FeIII(CN)6]2·xH2O can be prepared with reproducible chemical compositions and structures after careful washing. They have cubicFmoverline3mstructures with iron vacancies. In CuII2FeII(CN)6, copper occupies two different sites: Cu1 in position 4blinked to Fe through the CN groups, and Cu2 not linked to the CN groups and partially occupying the interstitial 24epositions. The second type of site is not present in CuII3[FeIII(CN)6]2. Sorption kinetics and isotherms were determined for cesium on both hexacyanoferrates by batch experiments. On CuII3[FeIII(CN)6]2, the maximum uptake is only 0.073 Cs/Fe (at./at.). On CuII2FeII(CN)6, the uptake reaches 1.5 Cs/Fe. The sorption kinetics include at least two steps: at1/2variation until approximately 72 h and then a slow evolution studied up to 6 months. The sorption mechanism is complex. The main process seems to be diffusion of ion pairs, followed by a reorganization of the solid, resulting in one or more new solid phases. The presence of the Cu2 site seems to play a favorable role in the sorption. Owing to its good midterm stability and the first rapid step of exchange, CuII2FeII(CN)6·xH2O seems to be one of the most promising compounds for the recovery of cesium from nuclear liquid wastes.

Insertion of a single-molecule magnet inside a ferromagnetic lattice based on a 3D bimetallic oxalate network: towards molecular analogues of permanent magnets.

Science.gov (United States)

Clemente-León, Miguel; Coronado, Eugenio; Gómez-García, Carlos J; López-Jordà, Maurici; Camón, Agustín; Repollés, Ana; Luis, Fernando

2014-02-03

The insertion of the single-molecule magnet (SMM) [Mn(III)(salen)(H2O)]2(2+) (salen(2-) = N,N'-ethylenebis-(salicylideneiminate)) into a ferromagnetic bimetallic oxalate network affords the hybrid compound [Mn(III)(salen)(H2O)]2[Mn(II)Cr(III)(ox)3]2⋅(CH3OH)⋅(CH3CN)2 (1). This cationic Mn2 cluster templates the growth of crystals formed by an unusual achiral 3D oxalate network. The magnetic properties of this hybrid magnet are compared with those of the analogous compounds [Mn(III)(salen)(H2O)]2[Zn(II)Cr(III)(ox)3]2⋅(CH3OH)⋅(CH3CN)2 (2) and [In(III)(sal2-trien)][Mn(II)Cr(III)(ox)3]⋅(H2O)0.25⋅(CH3OH)0.25⋅(CH3CN)0.25 (3), which are used as reference compounds. In 2 it has been shown that the magnetic isolation of the Mn2 clusters provided by their insertion into a paramagnetic oxalate network of Cr(III) affords a SMM behavior, albeit with blocking temperatures well below 500 mK even for frequencies as high as 160 kHz. In 3 the onset of ferromagnetism in the bimetallic Mn(II) Cr(III) network is observed at Tc = 5 K. Finally, in the hybrid compound 1 the interaction between the two magnetic networks leads to the antiparallel arrangement of their respective magnetizations, that is, to a ferrimagnetic phase. This coupling induces also important changes on the magnetic properties of 1 with respect to those of the reference compounds 2 and 3. In particular, compound 1 shows a large magnetization hysteresis below 1 K, which is in sharp contrast with the near-reversible magnetizations that the SMMs and the oxalate ferromagnetic lattice show under the same conditions. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

One-pot synthesis of a Ni–Mn3O4 nanocomposite for supercapacitors

International Nuclear Information System (INIS)

Xu, Guo-rong; Shi, Jin-jin; Dong, Wen-hao; Wen, Ya; Min, Xiang-ping; Tang, An-ping

2015-01-01

Highlights: • Ni–Mn 3 O 4 nanocomposites have been synthesized simply. • Mn 3 O 4 particles were deposited on surface of Ni particles with OH functional groups. • Ni–Mn 3 O 4 composites could be quickly conditioned to birnessite-type MnO 2 . • A specific capacitance of 230 F g −1 was obtained for Ni (17.3%)–Mn 3 O 4 nanocomposite. - Abstract: Ni–Mn 3 O 4 nanocomposite has been prepared successfully by chemical oxidation in an alkaline solution of Mn 2+ on the surface of Ni nanoparticles with OH functional groups using one-pot method. The obtained Ni–Mn 3 O 4 nanocomposite was characterized using a scanning electron microscope (SEM), a transmission electron microscope (TEM), X-ray diffraction (XRD) analysis and various electrochemical techniques, such as cyclic voltammetry (CV), galvanostatic charge/discharge (GC/D) and electrochemical impedance spectroscopy (EIS). The average crystal sizes of Mn 3 O 4 were found to decrease linearly with increasing Ni content in the Ni–Mn 3 O 4 composite. The Ni–Mn 3 O 4 nanocomposite could be easily conditioned and inverted to birnessite-type MnO 2 . A specific capacitance of 230 F g −1 (based on pure Mn 3 O 4 ) was obtained for the Ni (17.3%)–Mn 3 O 4 nanocomposite at a current rate of 0.25 A g −1 , and 94% of the initial capacitance was retained after 1000 GC/D cycles at a current rate of 1 A g −1 . It is concluded that the Ni–Mn 3 O 4 nanocomposite is a promising electrode materials for supercapacitors

Crystal structure of the coordination polymer [FeIII2{PtII(CN4}3

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Maksym Seredyuk

2015-01-01

Full Text Available The title complex, poly[dodeca-μ-cyanido-diiron(IIItriplatinum(II], [FeIII2{PtII(CN4}3], has a three-dimensional polymeric structure. It is built-up from square-planar [PtII(CN4]2− anions (point group symmetry 2/m bridging cationic [FeIIIPtII(CN4]+∞ layers extending in the bc plane. The FeII atoms of the layers are located on inversion centres and exhibit an octahedral coordination sphere defined by six N atoms of cyanide ligands, while the PtII atoms are located on twofold rotation axes and are surrounded by four C atoms of the cyanide ligands in a square-planar coordination. The geometrical preferences of the two cations for octahedral and square-planar coordination, respectively, lead to a corrugated organisation of the layers. The distance between neighbouring [FeIIIPtII(CN4]+∞ layers corresponds to the length a/2 = 8.0070 (3 Å, and the separation between two neighbouring PtII atoms of the bridging [PtII(CN4]2− groups corresponds to the length of the c axis [7.5720 (2 Å]. The structure is porous with accessible voids of 390 Å3 per unit cell.

A single optical sensor with high sensitivity for detection of Fe{sup 3+} and CN{sup −} ions

Energy Technology Data Exchange (ETDEWEB)

Afshani, Jafar [School of Chemistry, College of Science, University of Tehran, Tehran (Iran, Islamic Republic of); Badiei, Alireza, E-mail: abadiei@khayam.ut.ac.ir [School of Chemistry, College of Science, University of Tehran, Tehran (Iran, Islamic Republic of); Nanobiomedicine Center of Excellence, Nanoscience and Nanotechnology Research Center, University of Tehran, Tehran (Iran, Islamic Republic of); Jafari, Maryam; Shayesteh, Alireza; Karimi, Mehdi; Lashgari, Negar [School of Chemistry, College of Science, University of Tehran, Tehran (Iran, Islamic Republic of); Mohammadi Ziarani, Ghodsi [Department of Chemistry, Alzahra University, Tehran (Iran, Islamic Republic of)

2016-11-15

1,2-Bis(2-hydroxymethylphenoxy)ethane was synthesized and characterized by FT-IR and {sup 1}H NMR spectroscopy, and single crystal X-ray diffraction method. The sensing ability of the sensor was studied in the presence of different cations and anions. Following the excitation wavelengths at 275 nm in EtOH/H{sub 2}O (1:9, v/v) and 310 nm in MeCN/H{sub 2}O (1:9, v/v), two distinct emissions at 305 and 356 nm were obtained, respectively. Fe{sup 3+} and CN{sup −} ions were successfully detected in EtOH/H{sub 2}O and MeCN/H{sub 2}O mixtures, respectively. While the fluorescence intensity of the sensor quenched considerably in the presence of Fe{sup 3+} cation at 305 nm, it enhanced in the presence of CN{sup −} anion at 356 nm. Selectivity of the sensor toward these ions was verified in the presence of a variety of common interfering ions. The detection limits of Fe{sup 3+} and CN{sup −} were calculated as 5.4 × 10{sup −9} mol L{sup −1} and 1.9 × 10{sup −8} mol L{sup −1}, respectively which shows the high sensitivity of the sensor toward the target ions. Finally, the interaction of the sensor and CN{sup −} anion was determined by computational studies.

Isothermal Bainite Processing of ASTM A723 Components

Science.gov (United States)

1993-09-01

4 List of Illustrations 1. Photograph of typical cylinders used in the present study ................................. 7 2. CCT diagram for... CCT ) diagram obtained by thermal and magnetic analyses for the high nickel (-3 percent) ASTM A723 steel. The bainite knee for the 2 percent nickel...block. Also shown is the slope giving the average cooling rate in the critical region of the CCT diagram . This average rate happens to approximately

A hierarchical nanostructure consisting of amorphous MnO{sub 2}, Mn{sub 3}O{sub 4} nanocrystallites, and single-crystalline MnOOH nanowires for supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Hu, Chi-Chang; Hung, Ching-Yun [Department of Chemical Engineering, National Tsing Hua University, Hsin-Chu 30013 (China); Chang, Kuo-Hsin [Department of Chemical Engineering, National Tsing Hua University, Hsin-Chu 30013 (China); Department of Chemical Engineering, National Chung Cheng University, Chia-Yi 621 (China); Yang, Yi-Lin [Department of Chemical Engineering, National Chung Cheng University, Chia-Yi 621 (China)

2011-01-15

In this communication, a porous hierarchical nanostructure consisting of amorphous MnO{sub 2} (a-MnO{sub 2}), Mn{sub 3}O{sub 4} nanocrystals, and single-crystalline MnOOH nanowires is designed for the supercapacitor application, which is prepared by a simple two-step electrochemical deposition process. Because of the gradual co-transformation of Mn{sub 3}O{sub 4} nanocrystals and a-MnO{sub 2} nanorods into an amorphous manganese oxide, the cycle stability of a-MnO{sub 2} is obviously enhanced by adding Mn{sub 3}O{sub 4}. This unique ternary oxide nanocomposite with 100-cycle CV activation exhibits excellent capacitive performances, i.e., excellent reversibility, high specific capacitances (470 F g{sup -1} in CaCl{sub 2}), high power property, and outstanding cycle stability. The highly porous microstructures of this composite before and after the 10,000-cycle CV test are examined by means of scanning electron microscopy (SEM) and transmission electron microscopy (TEM). (author)

Synthesis of Li-Mn-O mesocrystals with controlled crystal phases through topotactic transformation of MnCO3

Science.gov (United States)

Dang, Feng; Hoshino, Tatsuhiko; Oaki, Yuya; Hosono, Eiji; Zhou, Haoshen; Imai, Hiroaki

2013-02-01

Mesocrystals of Li-Mn-O compounds, such as LiMn2O4, Li2MnO3, and LiMnO2-Li2MnO3, consisting of oriented nanoscale units were selectively produced under hydrothermal conditions from biomimetically prepared MnCO3 mesocrystals. Topotactic transformation through the intermediate phase of Mn5O8 inheriting a hierarchical structure of the MnCO3 precursor was essential for the formation of the mesocrystal compounds. The crystal phases were successfully controlled by varying the conditions for the hydrothermal reactions. The Li-Mn-O mesocrystals have considerable potential as cathodes of Li-ion batteries.Mesocrystals of Li-Mn-O compounds, such as LiMn2O4, Li2MnO3, and LiMnO2-Li2MnO3, consisting of oriented nanoscale units were selectively produced under hydrothermal conditions from biomimetically prepared MnCO3 mesocrystals. Topotactic transformation through the intermediate phase of Mn5O8 inheriting a hierarchical structure of the MnCO3 precursor was essential for the formation of the mesocrystal compounds. The crystal phases were successfully controlled by varying the conditions for the hydrothermal reactions. The Li-Mn-O mesocrystals have considerable potential as cathodes of Li-ion batteries. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr33767g

Structural, magnetic and transport properties of Mn3.1Sn0.9 and Mn3.1Sn0.9N compounds

International Nuclear Information System (INIS)

Feng, W.J.; Li, D.; Ren, W.J.; Li, Y.B.; Li, W.F.; Li, J.; Zhang, Y.Q.; Zhang, Z.D.

2007-01-01

The cubic anti-perovskite Mn 3.1 Sn 0.9 N compound is prepared via nitrogenation of the hexagonal Mn 3.1 Sn 0.9 compound. A magnetic phase diagram of Mn 3.1 Sn 0.9 compound is constructed by analysis of data of its magnetic properties. For Mn 3.1 Sn 0.9 N compound, parasitic ferromagnetism exists in the temperature range of 5-370 K, besides a spin-reorientation at about 280 K. Mn 3.1 Sn 0.9 compound exhibits a metallic conducting behavior, while Mn 3.1 Sn 0.9 N displays a metal-nonmetal transition due to the electron localization caused by the static disorder. The differences of the physical properties between the both compounds, are discussed, in terms of the correlation of the hexagonal DO 19 and the cubic anti-perovskite structures, the reduction of the distances between Mn atoms, and the spin-pairing or charge transfer effect due to the electron donation by N 2p to Mn 3d states after introduction of N atoms into the interstitial sites of Mn 3.1 Sn 0.9 compound

Noncollinear antiferromagnetic Mn3Sn films

Science.gov (United States)

Markou, A.; Taylor, J. M.; Kalache, A.; Werner, P.; Parkin, S. S. P.; Felser, C.

2018-05-01

Noncollinear hexagonal antiferromagnets with almost zero net magnetization were recently shown to demonstrate giant anomalous Hall effect. Here, we present the structural and magnetic properties of noncollinear antiferromagnetic Mn3Sn thin films heteroepitaxially grown on Y:ZrO2 (111) substrates with a Ru underlayer. The Mn3Sn films were crystallized in the hexagonal D 019 structure with c -axis preferred (0001) crystal orientation. The Mn3Sn films are discontinuous, forming large islands of approximately 400 nm in width, but are chemical homogeneous and characterized by near perfect heteroepitaxy. Furthermore, the thin films show weak ferromagnetism with an in-plane uncompensated magnetization of M =34 kA/m and coercivity of μ0Hc=4.0 mT at room temperature. Additionally, the exchange bias effect was studied in Mn3Sn /Py bilayers. Exchange bias fields up to μ0HEB=12.6 mT can be achieved at 5 K. These results show Mn3Sn films to be an attractive material for applications in antiferromagnetic spintronics.

Synthesis and crystal structure of the cesium silver permanganate Cs{sub 3}Ag[MnO{sub 4}]{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Bauchert, Joerg M.; Henning, Harald; Schleid, Thomas [Institut fuer Anorganische Chemie, Universitaet Stuttgart (Germany)

2012-09-15

After successful syntheses and structural refinements of the already known permanganates of cesium (Cs[MnO{sub 4}]) and silver (Ag[MnO{sub 4}]) we started to blend aqueous solutions of both components in various molar ratios. From crystallization experiments of these mixtures only three species of crystals with different chemical compositions were obtained: tricesium monosilver tetrakispermanganate (Cs{sub 3}Ag[MnO{sub 4}]{sub 4}) and, depending upon the respective ratio, either additional silver permanganate or surplus cesium permanganate, namely. The new title compound crystallizes in the orthorhombic space group Pnnm (no. 58) with two formula units per unit cell and cell dimensions of a = 764.53(4), b = 1883.57(9) and c = 584.34(3) pm. The crystal structure of Cs{sub 3}Ag[MnO{sub 4}]{sub 4} consists of two crystallographically distinguishable cesium cations. (Cs1){sup +} is surrounded by fourteen oxygen atoms constructing a slightly distorted bicapped hexagonal prism. These polyhedra are connected through edge-sharing with two other polyhedra of this kind to form chains along [001]. The chains are linked to each other via sixfold coordinated Ag{sup +} cations (d(Ag-O) = 238-246 pm), arranged in such a manner that they link three oxygen atoms of two cesium polyhedra, leading to a two-dimensional layer spreading out parallel to the (001) plane. Together with the two crystallographically different tetrahedral oxomanganate(VII) anions [MnO{sub 4}]{sup -} (d(Mn-O) = 161-162 pm) the other kind of cesium cations ((Cs2){sup +} with CN = 13) finally connect these layers three-dimensionally. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

CN radical in diffuse interstellar clouds

International Nuclear Information System (INIS)

Federman, S.R.; Danks, A.C.; Lambert, D.L.

1984-01-01

A survey of 15 lines of sight for the CN B 2 Σ + --X 2 Σ + interstellar absorption lines shows that the CN column density in diffuse interstellar clouds follows the relation log N(CN)proportionalm log N(H 2 ), where mroughly-equal3. This result is reproduced by a reaction network in which CN is produced primarily from C 2 by the neutral-neutral reaction C 2 +N → CN+C, and photodissociation is the main destruction pathway for the neutral molecules CH, C 2 , and CN. The CN radical is the first molecular species observed in diffuse clouds that requires a neutral-neutral reaction for its formation in the gas phase. The network also reproduces the observed ratio N(CN)/N(H 2 )

Mn L2,3-edge X-ray absorption spectroscopic studies on charge-discharge mechanism of Li2MnO3

International Nuclear Information System (INIS)

Kubobuchi, Kei; Mogi, Masato; Imai, Hideto; Ikeno, Hidekazu; Tanaka, Isao; Mizoguchi, Teruyasu

2014-01-01

The redox reaction of Mn in Li 2 MnO 3 was studied by X-ray absorption spectroscopy and ab initio multiplet calculation. Associated with the de-intercalation of Li-ion, small but clear spectral changes were observed in Mn-L 2,3 X-ray absorption near edge structure (XANES). The systematic ab initio multiplet calculations of Mn-L 2,3 XANES revealed that the spectral changes in the experiment could not simply be ascribed to the change of the valency from Mn 4+ to Mn 5+ but can be explained well by the changes of local atomic structures around Mn 4+ due to the Li de-intercalation. Our results suggest that the electronic state of oxygen should change during charging in Li 2 MnO 3

Nano-sized Mn3O4 and β-MnOOH from the decomposition of β-cyclodextrin-Mn: 2. The water-oxidizing activities.

Science.gov (United States)

Najafpour, Mohammad Mahdi; Mostafalu, Ramin; Hołyńska, Małgorzata; Ebrahimi, Foad; Kaboudin, Babak

2015-11-01

Nano-sized Mn oxides contain Mn3O4, β-MnOOH and Mn2O3 have been prepared by a previously reported method using thermal decomposition of β-cyclodextrin-Mn complexes. In the next step, the water-oxidizing activities of these Mn oxides using cerium(IV) ammonium nitrate as a chemical oxidant are studied. The turnover frequencies for β-MnO(OH) and Mn3O4 are 0.24 and 0.01-0.17 (mmol O2/mol Mns), respectively. Subsequently, water-oxidizing activities of these compounds are compared to the other previously reported Mn oxides. Important factors affecting water oxidation by these Mn oxides are also discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

Thermophysical properties of the ionic liquids [EMIM][B(CN)4] and [HMIM][B(CN)4].

Science.gov (United States)

Koller, Thomas M; Rausch, Michael H; Ramos, Javier; Schulz, Peter S; Wasserscheid, Peter; Economou, Ioannis G; Fröba, Andreas P

2013-07-18

In the present study, the thermophysical properties of the tetracyanoborate-based ionic liquids (ILs) 1-ethyl-3-methylimidazolium tetracyanoborate ([EMIM][B(CN)4]) and 1-hexyl-3-methylimidazolium tetracyanoborate ([HMIM][B(CN)4]) obtained by both experimental methods and molecular dynamics (MD) simulations are presented. Conventional experimental techniques were applied for the determination of refractive index, density, interfacial tension, and self-diffusion coefficients for [HMIM][B(CN)4] at atmospheric pressure in the temperature range from 283.15 to 363.15 K. In addition, surface light scattering (SLS) experiments provided accurate viscosity and interfacial tension data. As no complete molecular parametrization was available for the MD simulations of [HMIM][B(CN)4], our recently developed united-atom force field for [EMIM][B(CN)4] was partially transferred to the homologous IL [HMIM][B(CN)4]. Deviations between our simulated and experimental data for the equilibrium properties are less than ±0.3% in the case of density and less than ±8% in the case of interfacial tension for both ILs. Furthermore, the calculated and measured data for the transport properties viscosity and self-diffusion coefficient are in good agreement, with deviations of less than ±30% over the whole temperature range. In addition to a comparison with the literature, the influence of varying cation chain length on thermophysical properties of [EMIM][B(CN)4] and [HMIM][B(CN)4] is discussed.

Effects of dopant ion and Mn valence state in the La1-xAxMnO3 (A=Sr,Ba) colossal magnetoresistance films

International Nuclear Information System (INIS)

Choi, Sun Gyu; Wang, Seok-Joo; Park, Hyung-Ho; Hong, MunPyo; Kwon, Kwang-Ho

2010-01-01

The structural and electrical properties of Mn-based colossal magnetoresistance (CMR) thin films with controlled tolerance factor and Mn ion valance ratio were studied using crystal structure and chemical bonding character analyses. La 0.7 Sr 0.3 MnO 3 , La 0.7 Ba 0.3 MnO 3 , and La 0.82 Ba 0.18 MnO 3 thin films with different contents of divalent cations and Mn 3+ /Mn 4+ ratios were deposited on amorphous SiO 2 /Si substrate by rf magnetron sputtering at a substrate temperature of 350 deg. C. The films showed the same crystalline structure as the pseudocubic structure. The change in the sheet resistance of films was analyzed according to strain state of the unit cell, chemical bonding character of Mn-O, and Mn 3+ /Mn 4+ ratio controlling the Mn 3+ -O 2- -Mn 4+ conducting path. Mn L-edge x-ray absorption spectra revealed that the Mn 3+ /Mn 4+ ratio changed according to different compositions of Sr or Ba and the Mn 2p core level x-ray photoelectron spectra showed that the Mn 2p binding energy was affected by the covalence of the Mn-O bond and Mn 3+ /Mn 4+ ratio. In addition, O K-edge x-ray absorption spectra showed covalently mixed Mn 3d and O 2p states and matched well with the resistivity changes of CMR films. Temperature coefficient of resistance values were obtained at approximately -2.16%/K to -2.46%/K of the CMR films and were correct for infrared sensor applications.

Monodispersed MnO nanoparticles with epitaxial Mn{sub 3}O{sub 4} shells

Energy Technology Data Exchange (ETDEWEB)

Berkowitz, A E; Rodriguez, G F [Department of Physics, University of California, San Diego La Jolla, CA 92093 (United States); Hong, J I; Fullerton, E E [Center for Magnetic Recording Research, University of California-San Diego La Jolla, CA 92093 (United States); An, K; Hyeon, T [National Creative Research Initiative Center for Oxide Nanocrystalline Materials, Seoul National University, Seoul 151-744 (Korea, Republic of); Agarwal, N; Smith, D J [School of Materials and Department of Physics, Arizona State University, Tempe, AZ 85287 (United States)

2008-07-07

We report the microstructural and magnetic properties of monodispersed nanoparticles (NPs) of antiferromagnetic MnO (T{sub N} = 118 K), with epitaxial ferrimagnetic Mn{sub 3}O{sub 4} (T{sub C} = 43 K) shells. Above T{sub C}, an unusually large magnetization is present, produced by the uncompensated spins (UCSs) on the surface of the MnO particles. These spins impart a net anisotropy to the MnO particles that is approximately three orders of magnitude larger than the bulk value. As a result, an anomalously high blocking temperature is exhibited by the MnO particles, and finite coercivity and exchange bias are present above T{sub C}. When field cooled below T{sub C}, a strong exchange bias was established in the Mn{sub 3}O{sub 4} shells as a result of high net anisotropy of the MnO particles. A large coercivity was also observed. Models of several aspects of the behaviour of this unusual system emphasized the essential role of the UCSs on the surfaces of the MnO NPs.

H12CN and H13CN excitation analysis in the circumstellar outflow of R Sculptoris

Science.gov (United States)

Saberi, M.; Maercker, M.; De Beck, E.; Vlemmings, W. H. T.; Olofsson, H.; Danilovich, T.

2017-03-01

Context. The 12CO/13CO isotopologue ratio in the circumstellar envelope (CSE) of asymptotic giant branch (AGB) stars has been extensively used as the tracer of the photospheric 12C/13C ratio. However, spatially-resolved ALMA observations of R Scl, a carbon rich AGB star, have shown that the 12CO/13CO ratio is not consistent over the entire CSE. Hence, it can not necessarily be used as a tracer of the 12C/13C ratio. The most likely hypothesis to explain the observed discrepancy between the 12CO/13CO and 12C/13C ratios is CO isotopologue selective photodissociation by UV radiation. Unlike the CO isotopologue ratio, the HCN isotopologue ratio is not affected by UV radiation. Therefore, HCN isotopologue ratios can be used as the tracer of the atomic C ratio in UV irradiated regions. Aims: We aim to present ALMA observations of H13CN(4-3) and APEX observations of H12CN(2-1), H13CN(2-1, 3-2) towards R Scl. These new data, combined with previously published observations, are used to determine abundances, ratio, and the sizes of line-emitting regions of the aforementioned HCN isotopologues. Methods: We have performed a detailed non-LTE excitation analysis of circumstellar H12CN(J = 1-0, 2-1, 3-2, 4-3) and H13CN(J = 2-1, 3-2, 4-3) line emission around R Scl using a radiative transfer code based on the accelerated lambda iteration (ALI) method. The spatial extent of the molecular distribution for both isotopologues is constrained based on the spatially resolved H13CN(4-3) ALMA observations. Results: We find fractional abundances of H12CN/H2 = (5.0 ± 2.0) × 10-5 and H13CN/H2 = (1.9 ± 0.4) × 10-6 in the inner wind (r ≤ (2.0 ± 0.25) ×1015 cm) of R Scl. The derived circumstellar isotopologue ratio of H12CN/H13CN = 26.3 ± 11.9 is consistent with the photospheric ratio of 12C/13C 19 ± 6. Conclusions: We show that the circumstellar H12CN/H13CN ratio traces the photospheric 12C/13C ratio. Hence, contrary to the 12CO/13CO ratio, the H12CN/H13CN ratio is not affected by UV

19 CFR 351.415 - Conversion of currency.

Science.gov (United States)

2010-04-01

... 19 Customs Duties 3 2010-04-01 2010-04-01 false Conversion of currency. 351.415 Section 351.415... Conversion of currency. (a) In general. In an antidumping proceeding, the Secretary will convert foreign currencies into United States dollars using the rate of exchange on the date of sale of the subject...

Impurity model for mixed-valent Mn3+/Mn4+ ions

International Nuclear Information System (INIS)

Schlottmann, P.; Lee, K.

1997-01-01

Intermediate valent tri- and tetravalent manganese ions play an important role in LaMnO 3 -based systems. We consider a Mn impurity with five orbitals in cubic symmetry which hybridize with conduction electrons. The exchange interaction in the d shell maximizes the impurity spin. We study the valence of the Mn impurity as a function of the splitting of the e g to t 2g orbitals in zero magnetic field and for the totally spin-polarized state. The lifting of the degeneracy of the e g levels due to a small quadrupolar field, related to the Mn-O bond length or a Jahn-Teller effect, is also investigated. Possible implications on the magnetoresistance are discussed. copyright 1997 The American Physical Society

Green synthesis of in situ electrodeposited rGO/MnO2 nanocomposite for high energy density supercapacitors

Science.gov (United States)

Rusi; Majid, S. R.

2015-11-01

This paper presents the preparation of in situ electrodeposited rGO/MnO2 nanocomposite as a binder-free electrode for supercapacitor application. The work describes and evaluates the performance of prepared electrode via green and facile electrodeposition technique of in situ rGO/MnO2-glucose carbon nanocomposites. The carbon content in the composite electrode increased after GO and D (+) glucose solution has been added in the deposition electrolyte. This study found that a suitable concentration of D (+) glucose in the deposition electrolyte can slow down the nucleation process of MnO2 particles and lead to uniform and ultrathin nanoflakes structure. The optimize electrode exhibited low transfer resistance and resulted on excellent electrochemical performance in three electrolyte systems viz. Na2SO4, KOH and KOH/K3Fe(CN)6 redox electrolytes. The optimum energy density and power density were 1851 Whkg-1 and 68 kWkg-1 at current density of 20 Ag-1 in mixed KOH/K3Fe(CN)6 electrolyte.

Frequency-domain terahertz transmission spectra of Mn3 and Mn12 single-molecule magnets

Science.gov (United States)

Liu, RuiYuan; Zuo, JunWei; Li, YanRong; Zhou, YuRong; Wang, YunPing

2012-07-01

Frequency-domain terahertz transmission spectra of Mn3 and Mn12 single molecule magnets (SMMs) have been measured at different temperatures, and hence the anisotropic parameters D 2 and D 4 of the spin Hamiltonian hat H = D_2 hat S_z^2 + D_4 hat S_z^4 have been calculated. For Mn12 SMM, D 2=-10.9 GHz and D 4=-2.59×10-2 GHz, while for Mn3 SMM, D 2=-22.0 GHz and D 4 can be considered negligible. This suggests Mn3 SMM can be considered as a simpler and more suitable candidate for magnetic quantum tunneling research.

Ant-cave structured MnCO3/Mn3O4 microcubes by biopolymer-assisted facile synthesis for high-performance pseudocapacitors

Science.gov (United States)

Chandra Sekhar, S.; Nagaraju, Goli; Yu, Jae Su

2018-03-01

Porous and ant-cave structured MnCO3/Mn3O4 microcubes (MCs) were facilely synthesized via a biopolymer-assisted hydrothermal approach. Herein, chitosan was used as a natural biopolymer, which greatly controls the surface morphology and size of the prepared composite. The amino and hydroxyl group-functionalized chitosan engraves the outer surface of MCs during the hydrothermal process, which designs the interesting morphology of nanopath ways on the surface of MCs. When used as an electrode material for pseudocapacitors, the ant-cave structured MnCO3/Mn3O4 MCs showed superior energy storage values compared to the material prepared without chitosan in aqueous electrolyte solution. Precisely, the prepared ant-cave structured MnCO3/Mn3O4 MCs exhibited a maximum specific capacitance of 116.2 F/g at a current density of 0.7 A/g with an excellent cycling stability of 73.86% after 2000 cycles. Such facile and low-cost synthesis of pseudocapacitive materials with porous nanopaths is favorable for the fabrication of high-performance energy storage devices.

Synthesis and Electrochemistry of Li3MnO4: Mn in the +5 OxidationState

Energy Technology Data Exchange (ETDEWEB)

Saint, Juliette.A.; Doeff, Marca M.; Reed, John

2007-06-19

Computational and experimental work directed at exploringthe electrochemical properties of tetrahedrally coordinated Mn in the +5oxidation state is presented. Specific capacities of nearly 700 mAh/g arepredicted for the redox processes of LixMnO4 complexes based on twotwo-phase reactions. One is topotactic extractionof Li from Li3MnO4 toform LiMnO4 and the second is topotactic insertion of Li into Li3MnO4 toform Li5MnO4. In experiments, it is found that the redox behavior ofLi3MnO4 is complicated by disproportionation of Mn5+ in solution to formMn4+ and Mn7+ and byother irreversible processes; although an initialcapacity of about 275 mAh/g in lithiumcells was achieved. Strategiesbased on structural considerations to improve the electrochemicalproperties of MnO4n- complexes are given.

Cor ASTM: um método simples e rápido para determinar a qualidade do biodiesel produzido a partir de óleos residuais de fritura ASTM color: a simple and fast method for determining quality of biodiesel produced from used cooking oils

Directory of Open Access Journals (Sweden)

Verônica Santos de Morais

2013-01-01

Full Text Available In this study, 23 biodiesel samples were produced, 20 from used cooking oil and the remaining 3 from refined soybean oil. The following properties were determined in all of the samples (oil and its respective biodiesel: density; viscosity; total acid number and ASTM color. The results indicated high correlation (R > 0.6 between ASTM color of used cooking oil and total acid number of its resultant biodiesel. This high correlation allows prediction of the quality of the biodiesel produced using a simple and fast procedure such as ASTM color.

Interfacial magnetic coupling in ultrathin all-manganite La0.7Sr0.3MnO3-TbMnO3 superlattices

KAUST Repository

Tian, Y. F.

2014-04-14

We report the growth and magnetic properties of all-manganite superlattices composed of ultrathin double-exchange ferromagnetic La0.7Sr0.3MnO3 and noncollinear multiferroic TbMnO3 layers. Spontaneous magnetization and hysteresis loops are observed in such superlattices with individual La0.7Sr0.3MnO3 layers as thin as two unit cells, which are accompanied by pronounced exchange bias and enhanced coercivity. Our results indicate substantial interfacial magnetic coupling between spin sublattices in such superlattices, providing a powerful approach towards tailoring the properties of artificial magnetic heterostructures.

Interfacial magnetic coupling in ultrathin all-manganite La0.7Sr0.3MnO3-TbMnO3 superlattices

KAUST Repository

Tian, Y. F.; Lebedev, O. I.; Roddatis, V. V.; Lin, W. N.; Ding, J. F.; Hu, S. J.; Yan, S. S.; Wu, Tao

2014-01-01

We report the growth and magnetic properties of all-manganite superlattices composed of ultrathin double-exchange ferromagnetic La0.7Sr0.3MnO3 and noncollinear multiferroic TbMnO3 layers. Spontaneous magnetization and hysteresis loops are observed in such superlattices with individual La0.7Sr0.3MnO3 layers as thin as two unit cells, which are accompanied by pronounced exchange bias and enhanced coercivity. Our results indicate substantial interfacial magnetic coupling between spin sublattices in such superlattices, providing a powerful approach towards tailoring the properties of artificial magnetic heterostructures.

In situ measurements of HCN and CH3CN over the Pacific Ocean: Sources, sinks, and budgets

Science.gov (United States)

Singh, H. B.; Salas, L.; Herlth, D.; Kolyer, R.; Czech, E.; Viezee, W.; Li, Q.; Jacob, D. J.; Blake, D.; Sachse, G.; Harward, C. N.; Fuelberg, H.; Kiley, C. M.; Zhao, Y.; Kondo, Y.

2003-10-01

We report the first in situ measurements of hydrogen cyanide (HCN) and methyl cyanide (CH3CN, acetonitrile) from the Pacific troposphere (0-12 km) obtained during the NASA Transport and Chemical Evolution over the Pacific (TRACE-P) airborne mission (February-April 2001). Mean HCN and CH3CN mixing ratios of 243 ± 118 (median 218) ppt and 149 ± 56 (median 138) ppt, respectively, were measured. These in situ observations correspond to a mean tropospheric HCN column of 4.2 × 1015 molecules cm-2 and a CH3CN column of 2.5 × 1015 molecules cm-2. This is in good agreement with the 0-12 km HCN column of 4.4 (±0.6) × 1015 molecules cm-2 derived from infrared solar spectroscopic observations over Japan. Mixing ratios of HCN and CH3CN were greatly enhanced in pollution outflow from Asia and were well correlated with each other as well as with known tracers of biomass combustion (e.g., CH3Cl, CO). Volumetric enhancement (or emission) ratios (ERs) relative to CO in free tropospheric plumes, likely originating from fires, were 0.34% for HCN and 0.17% for CH3CN. ERs with respect to CH3Cl and CO in selected biomass burning (BB) plumes in the free troposphere and in boundary layer pollution episodes are used to estimate a global BB source of 0.8 ± 0.4 Tg (N) yr-1 for HCN and 0.4 ± 0.1 Tg (N) yr-1 for CH3CN. In comparison, emissions from industry and fossil fuel combustion are quite small (atmospheric residence time of 5.0 months for HCN and 6.6 months for CH3CN is calculated. A global budget analysis shows that the sources and sinks of HCN and CH3CN are roughly in balance but large uncertainties remain in part due to a lack of observational data from the atmosphere and the oceans. Pathways leading to the oceanic (and soil) degradation of these cyanides are poorly known but are expected to be biological in nature.

Characterization of ASTM round-robin tungsten-powder samples

International Nuclear Information System (INIS)

Slettevold, C.A.; Biermann, A.H.

1975-01-01

The Lawrence Livermore Laboratory Particle Characterization Laboratory Group has participated in an industry-wide round-robin investigation on characterization of tungsten powder. sponsored by the ASTM Subcommittee on Refractory-Metal Powders (B-09.3). The analyses performed at the suggestion of the ASTM subcommittee included measurements of tap density, apparent density, true density, average particle size, and surface area. Determinations of particle-weight and size distributions were also performed and particle inspection conducted by microscopy. This report describes the equipment and procedures used and summarizes the results of these analyses. (9 tables, 17 fig) (U.S.)

Laboratory Study on Prevention of CaO-Containing ASTM "D-Type" Inclusions in Al-Deoxidized Low-Oxygen Steel Melts During Basic Slag Refining

Science.gov (United States)

Jiang, Min; Wang, Xin-Hua; Yang, Die; Lei, Shao-Long; Wang, Kun-Peng

2015-12-01

Present work was attempted to explore the possibility of preventing CaO-containing inclusions in Al-deoxidized low-oxygen special steel during basic slag refining, which were known as ASTM D-type inclusions. Based on the analysis on formation thermodynamics of CaO-containing inclusions, a series of laboratory experiments were designed and carried out in a vacuum induction furnace. During the experiments, slag/steel reaction equilibrium was intentionally suppressed with the aim to decrease the CaO contents in inclusions, which is different from ordinary concept that slag/steel reaction should be promoted for better control of inclusions. The obtained results showed that high cleanliness of steel was obtained in all the steel melts, with total oxygen contents varied between 0.0003 and 0.0010 pct. Simultaneously, formation of CaO-containing inclusions was successfully prohibited, and all the formed oxide inclusions were MgO-Al2O3 or/and Al2O3 in very small sizes of about 1 to 3 μm. And 90 pct to nearly 98 pct of them were wrapped by relative thicker MnS outer surface layers to produce dual-phased "(MgO-Al2O3) + MnS" or "Al2O3 + MnS" complex inclusions. Because of much better ductility of MnS, certain deformability of these complex inclusions can be expected which is helpful to improve fatigue resistance property of steel. Only very limited number of singular MnS inclusions were with sizes larger than 13 μm, which were formed during solidification because of. In the end, formation of oxide inclusions in steel was qualitatively evaluated and discussed.

Enhancement of Magnetocaloric Effect in ({ {La}}_{0.67}{ {Ca}}_{0.33}{ {MnO}}_{3})/({ {La}}_{0.7}{ {Ba}}_{0.3}{ {MnO}}_{3}) ( La 0.67 Ca 0.33 MnO 3 ) / ( La 0.7 Ba 0.3 MnO 3 ) Composite

Science.gov (United States)

Khelifi, J.; Dhahri, E.; Hlil, E. K.

2018-03-01

The composite (La_{0.67}Ca_{0.33}MnO3)/La_{0.7}Ba_{0.3}MnO3) sample was prepared using the conventional solid-state reaction method, and their crystallographic structure was achieved by X-ray diffraction pattern analysis. The magnetic and magnetocaloric effect has been studied by magnetization measurements. Based on the relation: χ ^{-1}(T)∝ (T-T_C^Rand )^{1-λ }, the inverse of susceptibility shows a downturn before T_C indicating the existence of Griffiths phase for the temperature range T_C^Randphase has been obtained from detailed magnetization studies. Furthermore, a large magnetic entropy change is observed in (La_{0.67}Ca_{0.33}MnO3)/(La_{0.7}Ba_{0.3}MnO3) composite which possesses a large MCE characterized by two Δ S_M(T) peaks. It has revealed that the combination of manganite materials with different Curie temperatures is a possible method for enhancement of magnetocaloric effect. To determine the field dependence of the experimental Δ S_M(T), a local exponent n( T, H) can be calculated from the logarithmic derivative of the magnetic entropy change versus field; it is shown that for a multiphase system n evolves with field both at the Curie temperature of the system and at the Curie temperatures of the constituent phases.

9 CFR 351.10 - Facilities.

Science.gov (United States)

2010-01-01

... 9 Animals and Animal Products 2 2010-01-01 2010-01-01 false Facilities. 351.10 Section 351.10... CERTIFICATION CERTIFICATION OF TECHNICAL ANIMAL FATS FOR EXPORT Facilities and Operations § 351.10 Facilities. (a) Facilities for the preparation, identification, and storage of the technical animal fat to be...

Thermal expansion in 3d-metal Prussian Blue Analogs-A survey study

International Nuclear Information System (INIS)

Adak, Sourav; Daemen, Luke L.; Hartl, Monika; Williams, Darrick; Summerhill, Jennifer; Nakotte, Heinz

2011-01-01

We present a comprehensive study of the structural properties and the thermal expansion behavior of 17 different Prussian Blue Analogs (PBAs) with compositions M II 3 [(M') III (CN) 6 ] 2 .nH 2 O and M II 2 [Fe II (CN) 6 ].nH 2 O, where M II =Mn, Fe, Co, Ni, Cu and Zn, (M') III =Co, Fe and n is the number of water molecules, which range from 5 to 18 for these compounds. The PBAs were synthesized via standard chemical precipitation methods, and temperature-dependent X-ray diffraction studies were performed in the temperature range between -150 deg. C (123 K) and room-temperature. The vast majority of the studied PBAs were found to crystallize in cubic structures of space groups Fm3-bar m, F4-bar 3m and Pm3-bar m. The temperature dependence of the lattice parameters was taken to compute an average coefficient of linear thermal expansion in the studied temperature range. Of the 17 compounds, 9 display negative values for the average coefficient of linear thermal expansion, which can be as large as 39.7x 1 0 -6 K -1 for Co 3 [Co(CN) 6 ] 2 .12H 2 O. All of the M II 3 [Co III (CN) 6 ] 2 .nH 2 O compounds show negative thermal expansion behavior, which correlates with the Irving-Williams series for metal complex stability. The thermal expansion behavior for the PBAs of the M II 3 [Fe III (CN) 6 ] 2 .nH 2 O family are found to switch between positive (for M=Mn, Co, Ni) and negative (M=Cu, Zn) behavior, depending on the choice of the metal cation (M). On the other hand, all of the M II 2 [Fe II (CN) 6 ].nH 2 O compounds show positive thermal expansion behavior. - Graphical Abstract: The structure of Prussian Blue analogs (PBAs) consists of two types of metal centered octahedral units connected by cyanide ligand. Lattice and interstitial water molecules are present in these framework structures. All the PBAs of the M 3 [Co(CN) 6 ] 2 .nH 2 O family show negative thermal expansion (NTE) behavior. The lattice parameters and magnitude of NTE correlates inversely with the Irving

Dissociative adsorption of environment-friendly insulating medium C3F7CN on Cu(111) and Al(111) surface: A theoretical evaluation

Science.gov (United States)

Zhang, Xiaoxing; Li, Yi; Chen, Dachang; Xiao, Song; Tian, Shuangshuang; Tang, Ju; Wang, Dibo

2018-03-01

SF6 is extensively used in electrical applications because of its excellent insulation and arc extinguishing performance, but its strong greenhouse effect has negative impact on the atmosphere. The excellent performance of C3F7CN in greenhouse effect, insulation ability, safety, and thermal stability has been demonstrated, indicating that this compound can replace SF6 in electrical applications. However, little information is available on the compatibility of C3F7CN with metals, such as copper and aluminum, in devices. Material compatibility between new gas mixtures and materials used in Gas Insulated Switchgear (GIS) should be investigated to determine the long-term behavior of materials. In this paper, dissociative adsorption of C3F7CN on Cu (1 1 1) and Al (1 1 1) surfaces were analyzed based on density functional theory. Adsorption energy, charge transfer, density of states, and electron density difference of interaction between C3F7CN and two metals were analyzed. It was found that the adsorption energy of C3F7CN adsorbed on Cu (1 1 1) and Al (1 1 1) is both below 0.8 eV. This value indicates that the interaction between them is not very strong. In addition, the dissociation reaction path of gas molecules after adsorption requires certain activation energy. Therefore, C3F7CN and copper or aluminum have certain compatibility and the compatibility of C3F7CN with aluminum is better than that of copper. Related results provide a reference for predicting the aging mechanism of equipment and the selection or modification of major materials for equipment.

Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.

Science.gov (United States)

Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally

2016-03-21

We report the exceptional observation of two different magnetic ground states (MGS), spin glass (SG, T(B) = 7 K) and ferrimagnet (FI, T(C) = 18 K), for one crystal structure of [{Mn(II)(D/L-NH2ala)}3{Mn(III)(CN)6}]·3H2O obtained from [Mn(CN)6](3-) and D/L-aminoalanine, in contrast to one MGS for [{Mn(II)(L-NH2ala)}3{Cr(III)(CN)6}]·3H2O. They consist of three Mn(NH2ala) helical chains bridged by M(III)(CN)6 to give the framework with disordered water molecules in channels and between the M(III)(CN)6. Both MGS are characterized by a negative Weiss constant, bifurcation in ZFC-FC magnetizations, blocking of the moments, both components of the ac susceptibilities, and hysteresis. They differ in the critical temperatures, absolute magnetization for 5 Oe FC (lack of spontaneous magnetization for the SG), and the shapes of the hysteresis and coercive fields. While isotropic pressure increases both T(crit) and the magnetizations linearly and reversibly in each case, dehydration progressively transforms the FI into the SG as followed by concerted in situ magnetic measurements and single-crystal diffraction. The relative strengths of the two moderate Mn(III)-CN-Mn(II) antiferromagnetic (J1 and J2), the weak Mn(II)-OCO-Mn(II) (J3), and Dzyaloshinkii-Moriya antisymmetric (DM) interactions generate the two sets of characters. Examination of the bond lengths and angles for several crystals and their corresponding magnetic properties reveals a correlation between the distortion of Mn(III)(CN)6 and the MGS. SG is favored by higher magnetic anisotropy by less distorted Mn(III)(CN)6 in good accordance with the Mn-Cr system. This conclusion is also born out of the magnetization measurements on orientated single crystals with fields parallel and perpendicular to the unique c axis of the hexagonal space group.

Structure and magnetic properties of La{sub 2/3}Sr{sub 1/3}MnO{sub 3}/CaMnO{sub 3} multilayers

Energy Technology Data Exchange (ETDEWEB)

Granada, Mara [Centro Atomico Bariloche and Instituto Balseiro, CNEA-UNC, Av. Bustillo 9500, 8400 San Carlos de Bariloche (Argentina)]. E-mail: granadam@cab.cnea.gov.ar; Sirena, Martin [Centro Atomico Bariloche and Instituto Balseiro, CNEA-UNC, Av. Bustillo 9500, 8400 San Carlos de Bariloche (Argentina); Steren, Laura B. [Centro Atomico Bariloche and Instituto Balseiro, CNEA-UNC, Av. Bustillo 9500, 8400 San Carlos de Bariloche (Argentina); Leyva, Gabriela [Depto. de Fisica, Centro Atomico Constituyentes, CNEA, Av. Gral. Paz y Constituyentes, 1650 San Martin (Argentina)

2004-12-31

Structural and magnetic properties of manganite-based multilayers, La{sub 2/3}Sr{sub 1/3}MnO{sub 3}/CaMnO{sub 3}, composed of ferromagnetic metals and antiferromagnetic insulator barriers are investigated in this work. Compounds of similar lattice parameters were used to build the samples, so we expect an excellent stacking of the different layers along the structure. To get a first insight of this system, the crystalline structure of a series of samples, grown on (1 0 0) SrTiO{sub 3} and (1 0 0) MgO single-crystalline substrates, has been studied. X-ray diffraction patterns show that the structure is strongly textured in the (1 0 0) direction when grown on SrTiO{sub 3}, regardless the composition of the bottom layer. A different result is found on the same system grown on MgO: when the buffer layer is CaMnO{sub 3}, the structure grows in the (1 1 0) orientation while it grows in the (1 0 0) direction when the bottom layer is La{sub 2/3}Sr{sub 1/3}MnO{sub 3}. Magnetic coupling of the ferromagnetic layers across the antiferromagnetic spacer has been studied with magnetization measurements.

Quasar 3C351: VLA maps and a deep search for optical emission in the outer lobes

International Nuclear Information System (INIS)

Kronberg, P.P.; Clarke, J.N.; van den Bergh, S.

1980-01-01

VLA radio maps of the quasar 3C351 (z=0.371) at approx.2'' and 0.''4 resolution (a) show interaction with a relatively dense intergalactic medium, (b) show that there is electron acceleration within at least one of the radio lobes, and (c) imply that the intergalactic gas density is different on one side of the source than on the other. Striking similarities are found between the northern radio lobe of 3C351 and one of the outer hotspots of Cygnus A, and possibly other similar systems, in that the outer, on-axis hotspot is resolved and cusp-shaped, and the ''secondary'' off-axis hotspot is more compact. A search for optical emission in the outer lobes shows no emission stronger than 22/sup m/ in the J band and approx.21/sup m/ in the F band. There is also no evidence at these limits for a cluster of galaxies near the radio source, as is suggested by our conclusion that it is interacting with a medium of typical intracluster density

Clues to NaCN formation

Science.gov (United States)

Quintana-Lacaci, G.; Cernicharo, J.; Velilla Prieto, L.; Agúndez, M.; Castro-Carrizo, A.; Fonfría, J. P.; Massalkhi, S.; Pardo, J. R.

2017-11-01

Context. ALMA is providing us essential information on where certain molecules form. Observing where these molecules emission arises from, the physical conditions of the gas, and how this relates with the presence of other species allows us to understand the formation of many species, and to significantly improve our knowledge of the chemistry that occurs in the space. Aims: We studied the molecular distribution of NaCN around IRC +10216, a molecule detected previously, but whose origin is not clear. High angular resolution maps allow us to model the abundance distribution of this molecule and check suggested formation paths. Methods: We modeled the emission of NaCN assuming local thermal equilibrium (LTE) conditions. These profiles were fitted to azimuthal averaged intensity profiles to obtain an abundance distribution of NaCN. Results: We found that the presence of NaCN seems compatible with the presence of CN, probably as a result of the photodissociation of HCN, in the inner layers of the ejecta of IRC +10216. However, similar as for CH3CN, current photochemical models fail to reproduce this CN reservoir. We also found that the abundance peak of NaCN appears at a radius of 3 × 1015 cm, approximately where the abundance of NaCl, suggested to be the parent species, starts to decay. However, the abundance ratio shows that the NaCl abundance is lower than that obtained for NaCN. We expect that the LTE assumption might result in NaCN abundances higher than the real ones. Updated photochemical models, collisional rates, and reaction rates are essential to determine the possible paths of the NaCN formation. Based on observations carried out with ALMA and the IRAM 30 m Telescope. ALMA is a partnership of ESO (representing its member states), NSF (USA) and NINS (Japan), together with NRC (Canada) and NSC and ASIAA (Taiwan), in cooperation with the Republic of Chile. The Joint ALMA Observatory is operated by ESO, AUI/NRAO and NAOJ. IRAM is supported by INSU/CNRS (France

Effects of dopant ion and Mn valence state in the La{sub 1-x}A{sub x}MnO{sub 3} (A=Sr,Ba) colossal magnetoresistance films

Energy Technology Data Exchange (ETDEWEB)

Choi, Sun Gyu; Wang, Seok-Joo; Park, Hyung-Ho; Hong, MunPyo; Kwon, Kwang-Ho [Department of Materials Science and Engineering, Yonsei University, 134 Sinchon-dong, Seodaemun-ku, Seoul 120-749 (Korea, Republic of); Department of Display and Semiconductor Physics, Korea University, Jochiwon, Chungnam 339-700 (Korea, Republic of); Department of Control and Instrumentation Engineering, Korea University, Jochiwon, Chungnam 339-700 (Korea, Republic of)

2010-01-15

The structural and electrical properties of Mn-based colossal magnetoresistance (CMR) thin films with controlled tolerance factor and Mn ion valance ratio were studied using crystal structure and chemical bonding character analyses. La{sub 0.7}Sr{sub 0.3}MnO{sub 3}, La{sub 0.7}Ba{sub 0.3}MnO{sub 3}, and La{sub 0.82}Ba{sub 0.18}MnO{sub 3} thin films with different contents of divalent cations and Mn{sup 3+}/Mn{sup 4+} ratios were deposited on amorphous SiO{sub 2}/Si substrate by rf magnetron sputtering at a substrate temperature of 350 deg. C. The films showed the same crystalline structure as the pseudocubic structure. The change in the sheet resistance of films was analyzed according to strain state of the unit cell, chemical bonding character of Mn-O, and Mn{sup 3+}/Mn{sup 4+} ratio controlling the Mn{sup 3+}-O{sup 2-}-Mn{sup 4+} conducting path. Mn L-edge x-ray absorption spectra revealed that the Mn{sup 3+}/Mn{sup 4+} ratio changed according to different compositions of Sr or Ba and the Mn 2p core level x-ray photoelectron spectra showed that the Mn 2p binding energy was affected by the covalence of the Mn-O bond and Mn{sup 3+}/Mn{sup 4+} ratio. In addition, O K-edge x-ray absorption spectra showed covalently mixed Mn 3d and O 2p states and matched well with the resistivity changes of CMR films. Temperature coefficient of resistance values were obtained at approximately -2.16%/K to -2.46%/K of the CMR films and were correct for infrared sensor applications.

Secondary Structure Preferences of Mn2+ Binding Sites in Bacterial Proteins

Directory of Open Access Journals (Sweden)

Tatyana Aleksandrovna Khrustaleva

2014-01-01

Full Text Available 3D structures of proteins with coordinated Mn2+ ions from bacteria with low, average, and high genomic GC-content have been analyzed (149 PDB files were used. Major Mn2+ binders are aspartic acid (6.82% of Asp residues, histidine (14.76% of His residues, and glutamic acid (3.51% of Glu residues. We found out that the motif of secondary structure “beta strand-major binder-random coil” is overrepresented around all the three major Mn2+ binders. That motif may be followed by either alpha helix or beta strand. Beta strands near Mn2+ binding residues should be stable because they are enriched by such beta formers as valine and isoleucine, as well as by specific combinations of hydrophobic and hydrophilic amino acid residues characteristic to beta sheet. In the group of proteins from GC-rich bacteria glutamic acid residues situated in alpha helices frequently coordinate Mn2+ ions, probably, because of the decrease of Lys usage under the influence of mutational GC-pressure. On the other hand, the percentage of Mn2+ sites with at least one amino acid in the “beta strand-major binder-random coil” motif of secondary structure (77.88% does not depend on genomic GC-content.

Synthesis, spectroscopic, thermal and structural properties of [M(3-aminopyridine)2Ni(μ-CN)2(CN)2]n (M(II) = Co and Cu) heteropolynuclear cyano-bridged complexes

Science.gov (United States)

Kartal, Zeki

2016-01-01

Two novel cyano-bridged heteropolynuclear complexes, [Co(3-aminopyridine)2Ni(μ-CN)2(CN)2]n and [Cu(3-aminopyridine)2Ni(μ-CN)2(CN)2]n have been synthesized and characterized by elemental, thermal, FT-IR and FT-Raman spectroscopies. The structures of complexes have been determined by X-ray powder diffraction. The FT-IR and FT-Raman spectra of complexes have been recorded in the region of 3500-400 cm-1 and 3500-100 cm-1, respectively. General information was acquired about structural properties of these complexes from FT-IR and FT-Raman spectra by considering changes at characteristic peaks of the cyano group and 3AP. The splitting of the ν(Ctbnd N) stretching bands in the FT-IR spectra for complexes indicates the presence of terminal and bridging cyanides. The thermal behaviors of these complexes have been also investigated in the range of 25-950 °C using TG and DTG methods. Magnetic susceptibility measurements were made at room temperature using Gouy-balance.

One-pot synthesis of a Ni–Mn{sub 3}O{sub 4} nanocomposite for supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Xu, Guo-rong, E-mail: grxu@hnust.edu.cn; Shi, Jin-jin; Dong, Wen-hao; Wen, Ya; Min, Xiang-ping; Tang, An-ping

2015-05-05

Highlights: • Ni–Mn{sub 3}O{sub 4} nanocomposites have been synthesized simply. • Mn{sub 3}O{sub 4} particles were deposited on surface of Ni particles with OH functional groups. • Ni–Mn{sub 3}O{sub 4} composites could be quickly conditioned to birnessite-type MnO{sub 2}. • A specific capacitance of 230 F g{sup −1} was obtained for Ni (17.3%)–Mn{sub 3}O{sub 4} nanocomposite. - Abstract: Ni–Mn{sub 3}O{sub 4} nanocomposite has been prepared successfully by chemical oxidation in an alkaline solution of Mn{sup 2+} on the surface of Ni nanoparticles with OH functional groups using one-pot method. The obtained Ni–Mn{sub 3}O{sub 4} nanocomposite was characterized using a scanning electron microscope (SEM), a transmission electron microscope (TEM), X-ray diffraction (XRD) analysis and various electrochemical techniques, such as cyclic voltammetry (CV), galvanostatic charge/discharge (GC/D) and electrochemical impedance spectroscopy (EIS). The average crystal sizes of Mn{sub 3}O{sub 4} were found to decrease linearly with increasing Ni content in the Ni–Mn{sub 3}O{sub 4} composite. The Ni–Mn{sub 3}O{sub 4} nanocomposite could be easily conditioned and inverted to birnessite-type MnO{sub 2}. A specific capacitance of 230 F g{sup −1} (based on pure Mn{sub 3}O{sub 4}) was obtained for the Ni (17.3%)–Mn{sub 3}O{sub 4} nanocomposite at a current rate of 0.25 A g{sup −1}, and 94% of the initial capacitance was retained after 1000 GC/D cycles at a current rate of 1 A g{sup −1}. It is concluded that the Ni–Mn{sub 3}O{sub 4} nanocomposite is a promising electrode materials for supercapacitors.

Combating Wear of ASTM A36 Steel by Surface Modification Using Thermally Sprayed Cermet Coatings

OpenAIRE

Shibe, Vineet; Chawla, Vikas

2016-01-01

Thermal spray coatings can be applied economically on machine parts to enhance their requisite surface properties like wear, corrosion, erosion resistance, and so forth. Detonation gun (D-Gun) thermal spray coatings can be applied on the surface of carbon steels to improve their wear resistance. In the present study, alloy powder cermet coatings WC-12% Co and Cr3C2-25% NiCr have been deposited on ASTM A36 steel with D-Gun thermal spray technique. Sliding wear behavior of uncoated ASTM A36 ste...

Fracture toughness of welded joints of ASTM A543 steel plate

International Nuclear Information System (INIS)

Susukida, H.; Uebayashi, T.; Yoshida, K.; Ando, Y.

1977-01-01

Fracture toughness and weldability tests have been performed on a high strength steel which is a modification of ASTM A543 Grade B Class 1 steel, with a view to using it for nuclear reactor containment vessels. The results showed that fracture toughness of welded joints of ASTM A543 modified high strength steel is superior and the steel is suitable for manufacturing the containment vessels

Atomic and magnetic structure of MnF3

International Nuclear Information System (INIS)

Hunter, B.A.; Kennedy, B.J.; Vogt, T.

2003-01-01

Full text: The magnetic and atomic structure of MnF 3 has been determined from 4K to 300K using neutron powder diffraction. The MnF 3 compound is the archetypical Mn-based colossal magnetoresistive compound. A Neel temperature of approximately 40K was observed from the temperature variation of the magnetic moment. Below the Neel temperature a large negative thermal expansion was observed, in striking similarity to other Mn-based colossal magnetoresistive compounds. The variation in structure is discussed in relation to other Mn-based compounds, particularly as this compound cannot support charge ordering

Direct Demonstration of the Emergent Magnetism Resulting from the Multivalence Mn in a LaMnO3 Epitaxial Thin Film System

DEFF Research Database (Denmark)

Niu, Wei; Liu, Wenqing; Gu, Min

2018-01-01

that play a decisive role in the emergence of ferromagnetism in the otherwise antiferromagnetic LaMnO3 thin films are found. Combining spatially resolved electron energy‐loss spectroscopy, X‐ray absorption spectroscopy, and X‐ray magnetic circular dichroism techniques, it is determined unambiguously...... provide a hitherto‐unexplored multivalence state of Mn on the emergent magnetism in undoped manganite epitaxial thin films, such as LaMnO3 and BiMnO3, and shed new light on all‐oxide spintronic devices....

Formation of Mn3O4(001) on MnO(001): Surface and interface structural stability

International Nuclear Information System (INIS)

Bayer, Veronika; Podloucky, Raimund; Franchini, Cesare; Allegretti, Francesco; Xu, Bo; Parteder, Georg; Ramsey, Michael G.; Surnev, Svetlozar; Netzer, Falko P.

2007-01-01

X-ray absorption and photoemission spectroscopies, high-resolution electron energy loss spectroscopy, spot profile analysis low energy electron diffraction, and density functional theory calculations are employed to study the growth of (001) oriented Mn 3 O 4 surfaces on a Pd(100)-supported MnO(001) substrate, with the Hausmannite planar lattice constants aligned along the [110] direction of the underlying MnO(001) support. We show that despite the rather large lattice mismatch, abrupt interfaces may exist between rocksalt MnO and Hausmannite. We argue that this process is facilitated by the relatively low computed strain energy and we propose realistic models for the interface. An atop site registry between the Mn(O) atoms of the oxygen rich Mn 3 O 4 termination and the MnO(001) O(Mn) atoms underneath is found to be the energetically most favorable configuration. The significant planar expansion is accompanied by a large compression of the Mn 3 O 4 vertical lattice constant, yielding structural distortion of the O-Mn-O octahedral axis. Spot profile analysis low energy electron diffraction experiments show that the conversion reaction proceeds easily in both directions, thus indicating the reversible redox character of the transition

Synthesis of 0.3Li2MnO3·0.7LiNi1/3Co1/3Mn1/3O2 cathode materials using 3-D urchin-like MnO2 as precursor for high performance lithium ion battery

International Nuclear Information System (INIS)

Zhao, Chenhao; Hu, Zhibiao; Zhou, Yunlong; Fang, Shuzhen; Cai, Shaohan

2015-01-01

In the paper, we report synthesis of lithium rich layered oxide 0.3Li 2 MnO 3 ·0.7LiNi 1/3 Co 1/3 Mn 1/3 O 2 by using an urchin-like MnO 2 as precursor. The influences of calcination temperatures on the structures and electrochemical performances of as-prepared materials are systematically studied. The results show that the obtained sample can partially retain the morphology of urchin-like precursor especially at low temperature, and a higher calcination temperature helps to improve the layered structure and particle size. As lithium ion battery cathodes, the 750 °C sample with the size of 100–200 nm reveals an optimal electrochemical performance. The initial discharge capacity of 234.6 mAh g −1 with high Coulombic efficiency of 84.6 % can be reached at 0.1C within 2.0–4.7 V. After 50 cycles, the capacity retention can reach 90.2 % at 0.5C. Even at high current density of 5C, the sample also shows a stable discharge capacity of 120.5 mAh g −1 . Anyways, the urchin-like MnO 2 directed route is suitable to prepare 0.3Li 2 MnO 3 ·0.7LiNi 1/3 Co 1/3 Mn 1/3 O 2 as lithium ion battery cathode

Detailed studies of a high-capacity electrode material for rechargeable batteries, Li2MnO3-LiCo(1/3)Ni(1/3)Mn(1/3)O2.

Science.gov (United States)

Yabuuchi, Naoaki; Yoshii, Kazuhiro; Myung, Seung-Taek; Nakai, Izumi; Komaba, Shinichi

2011-03-30

Lithium-excess manganese layered oxides, which are commonly described by the chemical formula zLi(2)MnO(3)-(1-z)LiMeO(2) (Me = Co, Ni, Mn, etc.), are of great importance as positive electrode materials for rechargeable lithium batteries. In this Article, Li(x)Co(0.13)Ni(0.13)Mn(0.54)O(2-δ) samples are prepared from Li(1.2)Ni(0.13)Co(0.13)Mn(0.54)O(2) (or 0.5Li(2)MnO(3)-0.5LiCo(1/3)Ni(1/3)Mn(1/3)O(2)) by an electrochemical oxidation/reduction process in an electrochemical cell to study a reaction mechanism in detail before and after charging across a voltage plateau at 4.5 V vs Li/Li(+). Changes of the bulk and surface structures are examined by synchrotron X-ray diffraction (SXRD), X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), and time-of-flight secondary ion mass spectroscopy (SIMS). SXRD data show that simultaneous oxygen and lithium removal at the voltage plateau upon initial charge causes the structural rearrangement, including a cation migration process from metal to lithium layers, which is also supported by XAS. This is consistent with the mechanism proposed in the literature related to the Li-excess manganese layered oxides. Oxygen removal associated with the initial charge on the high voltage plateau causes oxygen molecule generation in the electrochemical cells. The oxygen molecules in the cell are electrochemically reduced in the subsequent discharge below 3.0 V, leading to the extra capacity. Surface analysis confirms the formation of the oxygen containing species, such as lithium carbonate, which accumulates on the electrode surface. The oxygen containing species are electrochemically decomposed upon second charge above 4.0 V. The results suggest that, in addition to the conventional transition metal redox reactions, at least some of the reversible capacity for the Li-excess manganese layered oxides originates from the electrochemical redox reaction of the oxygen molecules at the electrode surface.

13 CFR 120.351 - Definitions.

Science.gov (United States)

2010-01-01

... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false Definitions. 120.351 Section 120.351 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION BUSINESS LOANS Special Purpose Loans Qualified Employee Trusts (esop) § 120.351 Definitions. All terms specific to ESOPs have the same definition...

Quantum tunneling of magnetization in a new [Mn18]2+ single-molecule magnet with s = 13.

Science.gov (United States)

Brechin, Euan K; Boskovic, Colette; Wernsdorfer, Wolfgang; Yoo, Jae; Yamaguchi, Akira; Sañudo, E Carolina; Concolino, Thomas R; Rheingold, Arnold L; Ishimoto, Hidehiko; Hendrickson, David N; Christou, George

2002-08-21

The reaction between 2-(hydroxyethyl)pyridine (hepH) and a 2:1 molar mixture of [Mn3O(O2CMe)6(py)3](ClO4) and [Mn3O(O2CMe)6(py)3](py) in MeCN leads to isolation of [Mn18O14(O2CMe)18(hep)4(hepH)2(H2O)2](ClO4)2 (1) in 10% yield. The complex is 2MnII,16MnIII and consists of a Mn4O6 central unit to either side of which is attached a Mn7O9 unit. Magnetization data collected in the 2.0-4.0 K and 20-50 kG ranges were fit to yield S = 13, g = 1.86, and D = -0.13 cm-1 = -0.19 K, where D is the axial zero-field splitting parameter. AC susceptibility studies in the 0.04-4.0 K range at frequencies up to 996 Hz display out-of-phase (chiM' ') signals, indicative of a single-molecule magnet (SMM). Magnetization vs applied DC field scans exhibit hysteresis at SMM. DC magnetization decay data were collected on both a microcrystalline sample and a single crystal, and the combined data were used to construct an Arrhenius plot. Between 3.50 and 0.50 K, the relaxation rate is temperature-dependent with an effective barrier to relaxation (Ueff) of 14.8 cm-1 = 21.3 K. Below ca. 0.25 K, the relaxation rate is temperature-independent at 1.3 x 10-8 s-1, indicative of quantum tunneling of magnetization (QTM) between the lowest energy Ms = +/-13 levels of the S = 13 state. Complex 1 is both the largest spin and highest nuclearity SMM to exhibit QTM.

Multiferroic BiFeO3-BiMnO3 Nanocheckerboard From First Principles

OpenAIRE

Palova, L.; Chandra, P.; Rabe, K. M.

2010-01-01

We present a first principles study of an unusual heterostructure, an atomic-scale checkerboard of BiFeO3-BiMnO3, and compare its properties to the two bulk constituent materials, BiFeO3 and BiMnO3. The "nanocheckerboard" is found to have a multiferroic ground state with the desired properties of each constituent: polar and ferrimagnetic due to BiFeO3 and BiMnO3, respectively. The effect of B-site cation ordering on magnetic ordering in the BiFeO3-BiMnO3 system is studied. The checkerboard ge...

7 CFR 35.1 - Act.

Science.gov (United States)

2010-01-01

... 7 Agriculture 2 2010-01-01 2010-01-01 false Act. 35.1 Section 35.1 Agriculture Regulations of the Department of Agriculture AGRICULTURAL MARKETING SERVICE (Standards, Inspections, Marketing Practices... Definitions § 35.1 Act. Act or Export Grape and Plum Act means “An Act to promote the foreign trade of the...

Reaction of cyanide with cytochrome ba3 from Thermus thermophilus: spectroscopic characterization of the Fe(II)a3-CN.Cu(II)B-CN complex suggests four 14N atoms are coordinated to CuB.

Science.gov (United States)

Surerus, K K; Oertling, W A; Fan, C; Gurbiel, R J; Einarsdóttir, O; Antholine, W E; Dyer, R B; Hoffman, B M; Woodruff, W H; Fee, J A

1992-01-01

Cytochrome ba3 from Thermus thermophilus reacts slowly with excess HCN at pH 7.4 to create a form of the enzyme in which CuA, cytochrome b, and CuB remain oxidized, while cytochrome a3 is reduced by one electron, presumably with the formation of cyanogen. We have examined this form of the enzyme by UV-visible, resonance Raman, EPR, and electron nuclear double resonance spectroscopies in conjunction with permutations of 13C- and 15N-labeled cyanide. The results support a model in which one CN- binds through the carbon atom to ferrous a3, supporting a low-spin (S = 0) configuration on the Fe; bridging by this cyanide to the CuB is weak or absent. Four 14N atoms, presumably donated by histidine residues of the protein, provide a strong equatorial ligand field about CuB; a second CN- is coordinated through the carbon atom to CuB in an axial position. PMID:1314380

5 CFR 351.403 - Competitive level.

Science.gov (United States)

2010-01-01

... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Competitive level. 351.403 Section 351... FORCE Scope of Competition § 351.403 Competitive level. (a)(1) Each agency shall establish competitive levels consisting of all positions in a competitive area which are in the same grade (or occupational...

Mn L{sub 2,3}-edge X-ray absorption spectroscopic studies on charge-discharge mechanism of Li{sub 2}MnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Kubobuchi, Kei, E-mail: kubobuchi@nissan-arc.co.jp [NISSAN ARC Ltd., 1 Natsushima, Yokosuka 237-0061 (Japan); Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505, Japan. (Japan); Mogi, Masato; Imai, Hideto [NISSAN ARC Ltd., 1 Natsushima, Yokosuka 237-0061 (Japan); Ikeno, Hidekazu [Osaka Prefecture University, 1-2 Gakuen-cho, Naka-ku, Sakai, Osaka 599-8570 (Japan); Tanaka, Isao [Department of Materials Science and Engineering, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501 (Japan); Mizoguchi, Teruyasu, E-mail: teru@iis.u-tokyo.ac.jp [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505, Japan. (Japan)

2014-02-03

The redox reaction of Mn in Li{sub 2}MnO{sub 3} was studied by X-ray absorption spectroscopy and ab initio multiplet calculation. Associated with the de-intercalation of Li-ion, small but clear spectral changes were observed in Mn-L{sub 2,3} X-ray absorption near edge structure (XANES). The systematic ab initio multiplet calculations of Mn-L{sub 2,3} XANES revealed that the spectral changes in the experiment could not simply be ascribed to the change of the valency from Mn{sup 4+} to Mn{sup 5+} but can be explained well by the changes of local atomic structures around Mn{sup 4+} due to the Li de-intercalation. Our results suggest that the electronic state of oxygen should change during charging in Li{sub 2}MnO{sub 3}.

7 CFR 3565.351 - Project management.

Science.gov (United States)

2010-01-01

... 7 Agriculture 15 2010-01-01 2010-01-01 false Project management. 3565.351 Section 3565.351... AGRICULTURE GUARANTEED RURAL RENTAL HOUSING PROGRAM Project Management § 3565.351 Project management. As a... Agency and complies with an approved management plan for the project. (b) Management plan. The lender...

5 CFR 351.402 - Competitive area.

Science.gov (United States)

2010-01-01

... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Competitive area. 351.402 Section 351.402... Competition § 351.402 Competitive area. (a) Each agency shall establish competitive areas in which employees compete for retention under this part. (b) A competitive area must be defined solely in terms of the...

Oxidative and antibacterial activity of Mn3O4

International Nuclear Information System (INIS)

Chowdhury, Al-Nakib; Azam, Md. Shafiul; Aktaruzzaman, Md.; Rahim, Abdur

2009-01-01

Mn 3 O 4 nanoparticles with diameter ca. 10 nm were synthesized by the forced hydrolysis of Mn(II) acetate at 80 deg. C. The X-ray diffraction (XRD), Fourier transform infra red (FT-IR) spectroscopy, scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) techniques were employed to study structural features and chemical composition of the nanoparticles. The unique oxidative activity of the Mn 3 O 4 nanoparticles was demonstrated in the polymerization and dye degradation reactions. On adding Mn 3 O 4 suspension to an acidic solution of aniline, yielded immediately green sediment of polyaniline (PANI). The organic dyes, viz., methylene blue (MB) and procion red (PR) were found to be completely decolorized from their aqueous solution on treating the dyes with Mn 3 O 4 suspension in acidic media. The Mn 3 O 4 nanoparticles also showed a clear antibacterial activity against the Vibrio cholerae, Shigella sp., Salmonella sp., and Escherichi coli bacteria that cause cholera, dysentery, typhoid, and diarrhea diseases, respectively.

Ca-site substitution induced a metal-insulator transition in manganite CaMnO3

International Nuclear Information System (INIS)

Sousa, D.; Nunes, M.R.; Silveira, C.; Matos, I.; Lopes, A.B.; Melo Jorge, M.E.

2008-01-01

A systematic study of the A-site doping in Mn(IV)-rich perovskite manganites Ca 1-x Ho x MnO 3 , over a large homogeneity range (0.1 ≤ x ≤ 0.4), has been performed. A significant increase in the lattice parameters indicated the presence of mixed valence state of Mn: Mn 3+ and Mn 4+ . The substitution of calcium by holmium also induces strong changes in the electrical properties. We found that small Ho concentration produces an important decrease in the electrical resistivity and induces an electrical transition, the temperature corresponding to the metal-insulator transition (T MI ) shifts with the holmium content. This electrical behavior is attributed to the Mn 3+ ions content and a charge order effect

Metal-semiconductor transition at a comparable resistivity level and positive magnetoresistance in Mn3Mn1-x Pd x N thin films

Science.gov (United States)

Xu, T.; Ji, G. P.; Cao, Z. X.; Ji, A. L.

2018-02-01

Thin films of antiperovskite Mn3Mn1-x Pd x N with x up to 0.36 were grown by reactive magnetron co-sputtering method. All the deposits exhibit a [1 0 0] preferential orientation, with the lattice constant slightly enlarged in samples with ever more Pd atoms partially substituting the MnI atoms in Mn3MnN matrix. The replacement of MnI atoms in antiperovskite structure by Pd atoms, besides reducing the saturation magnetization, also invokes a metal-semiconductor transition which occurs remarkably at a comparable resistivity level. Moreover, a positive magnetoresistance was observed in samples of a high Pd content. These tunable electrical and magnetic properties of ternary antiperovskite compounds might promise some ingenious applications in electronic industry.

Facile Synthesis of Porous ZnMnO3 Spherulites with a High Lithium Storage Capability

International Nuclear Information System (INIS)

Liu, Xinru; Zhao, Chenhao; Zhang, He; Shen, Qiang

2015-01-01

Graphical abstract: Porous ZnMnO 3 spherulites show an enhanced high lithium storage capability when potentially applied as a lithium-ion battery anode for the first time. - Highlights: • Composite Zn 0.5 Mn 0.5 CO 3 microspheres are facilely co-precipitated. • Porous ZnMnO 3 spherulites can be used as a lithium-ion battery anode. • Porous ZnMnO 3 spherulites show superior electrochemical properties. • A synergistic effect of Zn-O and Mn-O components in cubic ZnMnO 3 is proposed. - Abstract: In this paper, pure-phase ZnMnO 3 porous spherulites are uniquely synthesized through the thermal decomposition of Zn-Mn binary carbonate precursors facilely co-precipitated at room temperature, possessing an average diameter of 1.2 ± 0.3 μm and acquiring porosity with a specific surface area of 24.3 m 2 g −1 . When tentatively applied as lithium-ion battery anodes for the first time, these porous spherulites deliver an initial discharge capacity of 1294 mAh g −1 at 500 mA g −1 and retain an reversible value of 879 mAh g −1 over 150 cycles. By comparison, the equimolar powder mixture of nano-sized ZnO and MnO 2 synergistically shows a higher lithium storage capability than the two unary transition metal oxides, but lower than anode material ZnMnO 3 . Aside from its nanostructured characteristics, an inner atomic synergistic effect within the cubic lattices may account for the superior electrochemical performance of well-crystallized ZnMnO 3

Anomalous absorption in H2CN and CH2CN molecules

Indian Academy of Sciences (India)

Abstract. Structures of H2CN and CH2CN molecules are similar to that of H2CO mole- cule. The H2CO has shown anomalous absorption for its transition 111 − 110 at 4.8 GHz in a number of cool molecular clouds. Though the molecules H2CN and CH2CN have been identified in TMC-1 and Sgr B2 through some ...

XPS and EELS characterization of Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Grosvenor, A.P., E-mail: andrew.grosvenor@usask.ca [Department of Chemistry, University of Saskatchewan, Saskatoon, SK S7N 5C9 (Canada); Bellhouse, E.M., E-mail: erika.bellhouse@arcelormittal.com [Global R & D—Hamilton, ArcelorMittal Dofasco, 1330 Burlington St. E, Hamilton, ON L8N 3J5 (Canada); Korinek, A., E-mail: korinek@mcmaster.ca [Canadian Centre for Electron Microscopy, Brockhouse Institute for Materials Research, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada); Bugnet, M., E-mail: bugnetm@mcmaster.ca [Canadian Centre for Electron Microscopy, Brockhouse Institute for Materials Research, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada); McDermid, J.R., E-mail: mcdermid@mcmaster.ca [Steel Research Centre, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada)

2016-08-30

Graphical abstract: XPS and EELS spectra were acquired from Mn2Al2O4, MnSiO3 and Mn2SiO4 standards and unique features identified that will allow unambiguous identification of these compounds when studying the selective oxidation of advanced steels. - Highlights: • Mn2Al2O4, MnSiO3 and Mn2SiO4 standards were synthesized and characterized using both XPS and EELS. • Unique features in both the XPS high resolution and EELS spectra were identified for all compounds. • The spectra can be used to identify these compounds when studying the selective oxidation of steels. - Abstract: X-ray Photoelectron Spectroscopy (XPS) and Electron Energy Loss Spectroscopy (EELS) are strong candidate techniques for characterizing steel surfaces and substrate-coating interfaces when investigating the selective oxidation and reactive wetting of advanced high strength steels (AHSS) during the continuous galvanizing process. However, unambiguous identification of ternary oxides such as Mn{sub 2}SiO{sub 4}, MnSiO{sub 3}, and MnAl{sub 2}O{sub 4} by XPS or EELS, which can play a significant role in substrate reactive wetting, is difficult due to the lack of fully characterized standards in the literature. To resolve this issue, samples of Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4} were synthesized and characterized by XPS and EELS. The unique features of the XPS and EELS spectra for the Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4} standards were successfully derived, thereby allowing investigators to fully differentiate and identify these oxides at the surface and subsurface of Mn, Si and Al alloyed AHSS using these techniques.

47 CFR 95.1509 - ASTM E2213-03 DSRC Standard.

Science.gov (United States)

2010-10-01

... 47 Telecommunication 5 2010-10-01 2010-10-01 false ASTM E2213-03 DSRC Standard. 95.1509 Section 95... ASTM E2213-03 DSRC Standard. On-Board Units operating in the 5850-5925 MHz band shall comply with the... Materials (ASTM) E2213-03, Standard Specification for Telecommunications and Information Exchange Between...

Enhanced magnetoresistance in La0.7Ca0.3Mn03/Nd0.7Ca0.3Mn03 epitaxial multilayers

International Nuclear Information System (INIS)

Sharma, Himanshu; Khan, Md. S.; Tomy, C.V.; Jain, Sourabh; Tulapurkar, Ashwin

2014-01-01

Magnanite multilayers of La 0.7 Ca 0.3 MnO 3 /Nd 0.7 Ca 0.5 MnO 3 have been fabricated on SrTiO 3 (100) substrate using Nd 0.7 Ca 0.5 MnO 3 as the spacer layers. An enhanced magnetoresistance (MR) of more than 80% is observed in the multilayers compared with LCMO thin film (∼50%). Result suggests that the interface strains between LCMO and NCMO layers may have influences on the transport properties and a suitable film structure could be used to increase the large low field magnetoresistance. (author)

Synthesis and properties of a new quadruple perovskite: A-site ordered PbMn{sub 3}Mn{sub 4}O{sub 12}

Energy Technology Data Exchange (ETDEWEB)

Locherer, T.; Dinnebier, R.; Kremer, R.K. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, D-70569 Stuttgart (Germany); Greenblatt, M., E-mail: martha@rutchem.rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, NJ 08854 (United States); Jansen, M. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, D-70569 Stuttgart (Germany)

2012-06-15

PbMn{sub 3}Mn{sub 4}O{sub 12} a quadruple perovskite was prepared by high pressure and high temperature synthesis. Powder X-ray diffraction (PXD) and differential scanning calorimetry reveal a structural phase transition at {approx}380 K. Rietveld refinement of the synchrotron room temperature data indicate rhombohedral symmetry (R-3) with a=6.43675(4) A and {alpha}=109.556(2) Degree-Sign . Similar 423 K PXD data refined in a body centered cubic cell (Im-3) with a=7.4283(9) A. The temperature variation of magnetization, shows a magnetic field dependent antiferromagnetic-like transition at 68 K, and dynamic fluctuations indicative of magnetic frustration. The semiconducting electrical behavior indicates a large decrease in the conductivity near 68 K. The temperature dependence of the real part of the dielectric constant, {epsilon}{sub real} increases dramatically at {approx}68 K, and shows relaxor-type ferroelectric behavior as a function of frequency. The intimate coupling of magnetic, electrical and dielectric properties at 68 K in PbMn{sub 3}Mn{sub 4}O{sub 12} suggests possible multiferroic behavior. - Graphical abstract: Resistance vs. temperature plot showing drastically increasing resistances at temperatures below 68 K (a). Formation of a frequency dependency of the dielectric constant between 68 K and ambient temperature (b). Sharp cusp in the magnetic susceptibility observed at 68 K which is suppressed with increasing magnetic field (c) indicates coupling of magnetic, electric and dielectric effects. Highlights: Black-Right-Pointing-Pointer PbMn{sub 3}Mn{sub 4}O{sub 12} a quadruple perovskite was prepared at high pressure. Black-Right-Pointing-Pointer A structural transition is seen at 380 K from space group R-3-to-Im-3. Black-Right-Pointing-Pointer An antiferromagnetic transition is observed at 68 K. Black-Right-Pointing-Pointer It is semiconducting with a large decrease in the conductivity near 68 K. Black-Right-Pointing-Pointer The temperature dependence

Polymerization of Acetonitrile via a Hydrogen Transfer Reaction from CH3 to CN under Extreme Conditions.

Science.gov (United States)

Zheng, Haiyan; Li, Kuo; Cody, George D; Tulk, Christopher A; Dong, Xiao; Gao, Guoying; Molaison, Jamie J; Liu, Zhenxian; Feygenson, Mikhail; Yang, Wenge; Ivanov, Ilia N; Basile, Leonardo; Idrobo, Juan-Carlos; Guthrie, Malcolm; Mao, Ho-Kwang

2016-09-19

Acetonitrile (CH3 CN) is the simplest and one of the most stable nitriles. Reactions usually occur on the C≡N triple bond, while the C-H bond is very inert and can only be activated by a very strong base or a metal catalyst. It is demonstrated that C-H bonds can be activated by the cyano group under high pressure, but at room temperature. The hydrogen atom transfers from the CH3 to CN along the CH⋅⋅⋅N hydrogen bond, which produces an amino group and initiates polymerization to form a dimer, 1D chain, and 2D nanoribbon with mixed sp(2) and sp(3) bonded carbon. Finally, it transforms into a graphitic polymer by eliminating ammonia. This study shows that applying pressure can induce a distinctive reaction which is guided by the structure of the molecular crystal. It highlights the fact that very inert C-H can be activated by high pressure, even at room temperature and without a catalyst. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Magnetic properties of (Mn1-xRux)3Ga alloys

International Nuclear Information System (INIS)

Hori, T.; Akimitsu, M.; Miki, H.; Ohoyoama, K.; Yamaguchi, Y.

2002-01-01

We found that the pseudo binary alloys Mn 1-x Ru x 3 Ga, with 0.33≤x≤0.67, have an ordered b.c.c. structure. The lattice constant a is almost constant with respect to x: a=6.000 A for x=0.33 and a=5.992 A for x=0.67. For the alloy with x=0.33, i.e. Mn 2 RuGa, the magnetization is almost saturated in a field of 20 kOe. The saturation magnetization at 4.2 K is 23 emu/g, and the Curie temperature, T C , is 460 K. The T C of (Mn 1-x Ru x ) 3 Ga decreases almost linearly with increasing x, and it vanishes around x=0.67 (MnRu 2 Ga). We also determined atomic and magnetic structures from neutron diffraction experiments. The alloy Mn 2 RuGa (x=0.33) has an ordered structure of CuHg 2 Ti type; the magnetic Mn atoms mainly occupy the 4a (0,0,0) and 4d (3/4,3/4,3/4) sites. We also observed that the magnetic moments of Mn atoms on the 4a and 4d sites are antiparallel to each other; values of the magnetic moment are μ a =4.6 and μ d =3.3 μ B per Mn atom. (orig.)

Synthesis of highly efficient Mn2O3 catalysts for CO oxidation derived from Mn-MIL-100

Science.gov (United States)

Zhang, Xiaodong; Li, Hongxin; Hou, Fulin; Yang, Yang; Dong, Han; Liu, Ning; Wang, Yuxin; Cui, Lifeng

2017-07-01

In this work, metal-organic frameworks (MOFs) Mn-MIL-100 were first prepared, which were next used as templates to obtain the irregular porous Mn2O3 cubes through calcination with air at different temperature. The catalysts were characterized by N2 adsorption-desorption, X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscopy (TEM), H2-temperature program reduction (H2-TPR) and X-ray photoelectron spectroscopic (XPS). The catalytic activity for CO oxidation over Mn2O3 catalysts was investigated. It was found that calcination temperature had a strong effect on the structure and catalytic activity of Mn2O3 catalyst. Mn2O3 catalyst obtained by calcined at 700 °C (Mn2O3-700) showed a smaller specific surface area, but displayed a high catalytic activity and excellent stability with a complete CO conversion temperature (T98) of 240 °C, which was attributed to the unique structure, a high quantity of surface active oxygen species, smaller particle size, oxygen vacancies and good low temperature reduction behavior. The effect of water vapor on catalytic activity was also examined. The introduction of water vapor to the feedstock induced a positive effect on CO oxidation over Mn2O3-700 catalyst. Furthermore, no obvious drop is observed in activity over catalysts even in the presence of water vapor during 48 h.

77 FR 10358 - Acceptance of ASTM F963-11 as a Mandatory Consumer Product Safety Standard

Science.gov (United States)

2012-02-22

... CONSUMER PRODUCT SAFETY COMMISSION 16 CFR Chapter II Acceptance of ASTM F963-11 as a Mandatory... have accepted the revised ASTM F963-11 standard titled, Standard Consumer Safety Specifications for Toy Safety. Pursuant to section 106 of the Consumer Product Safety Improvement Act of 2008, ASTM F963-11 will...

Possible origin of photoconductivity in La0.7Ca0.3MnO3

Science.gov (United States)

Sagdeo, P. R.; Choudhary, R. J.; Phase, D. M.

2010-01-01

The effect of photon energy on the density of states near Fermi level of pulsed laser deposited La0.7Ca0.3MnO3 thin film has been studied to investigate the possible origin of change in the conductivity of these manganites upon photon exposure. For this purpose the photoelectron spectroscopy measurements were carried out using CSR beamline (BL-2) on Indus-1 synchrotron radiation source. The valance band spectra were measured at room temperature with photon energy ranging from 40 to 60 eV. We could see huge change in the density of states near Fermi level and this change is observed to be highest at 56 eV which is due to the resonance between Mn 3p to Mn 3d level. Our results suggest that the probability of electron transfer from deep Mn 3p level to Mn 3d-eg level is higher than that of Mn 3d-t2g level. It appears that this transfer of electron from deep Mn level to Mn 3d-eg level not only modifies the density of state near Fermi level but also changes the mobility of electrons by modifying the electron lattice coupling due to presence of Mn+3 Jahn-Teller ion.

Magnetocaloric effect in In doped YbMnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Sattibabu, Bhumireddi, E-mail: bsb.satti@gmail.com [School of Engineering Sciences and Technology, University of Hyderabad, Hyderabad 500046 (India); Department of Electronics and Physics, Institute of Science, GITAM University, Visakhapatnam 530045 (India); Bhatnagar, A.K., E-mail: anilb42@gmail.com [School of Physics, University of Hyderabad, Hyderabad 500046 (India); Vinod, K.; Mani, Awadhesh [Condensed Matter Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India)

2017-06-01

Magnetic and magnetocaloric (MCE) properties of Yb{sub 0.9}In{sub 0.1}MnO{sub 3} and Yb{sub 0.8}In{sub 0.2}MnO{sub 3} polycrystalline samples are presented in this paper. Isothermal magnetization measurements reveal a field induced magnetic transition. Magnetic entropy change of 2.34±0.35 J/mole-K for Yb{sub 0.9}In{sub 0.1}MnO{sub 3} and 2.64±0.38 J/mole-K for Yb{sub 0.8}In{sub 0.2}MnO{sub 3} field change ΔH =10 KOe is observed around the ferromagnetic ordering temperature of Yb{sup 3+}. Values of relative cooling power for the same field change are found to be 38.03±9 J /mol, and 40.90±10 J/mol for Yb{sub 0.9}In{sub 0.1}MnO{sub 3} and Yb{sub 0.8}In{sub 0.2}MnO{sub 3}, respectively. These values suggest In doped YbMnO{sub 3} may be a potential candidate for magnetic refrigerant at low temperatures.

X-ray spectroscopy at the Mn K edge in LaMnO3 : An ab initio study

NARCIS (Netherlands)

Hozoi, L.; Vries, A.H. de; Broer, R.

2001-01-01

We present ab initio quantum chemical embedded cluster calculations of Mn core-valence and d-d transitions in LaMnO3. The results are also important for the analysis of recent x-ray absorption and x-ray scattering experiments at the Mn K edge in LaMnO3. We find that the first two peaks of the

K3[Fe(CN)6].3H2O supported on silica gel: An efficient and selective ...

Indian Academy of Sciences (India)

Department of Chemistry, Payame Noor University, 19395-4697 Tehran, I. R. of IRAN e-mail: ... K3[Fe(CN)6].3H2O, Silica gel; oxime; aldehyde; ketone. 1. Introduction .... ysis, hydrogenation, etc., using organic and inorganic reagents. Besides ...

Cubic mesoporous Ag@CN: a high performance humidity sensor.

Science.gov (United States)

Tomer, Vijay K; Thangaraj, Nishanthi; Gahlot, Sweta; Kailasam, Kamalakannan

2016-12-01

The fabrication of highly responsive, rapid response/recovery and durable relative humidity (%RH) sensors that can precisely monitor humidity levels still remains a considerable challenge for realizing the next generation humidity sensing applications. Herein, we report a remarkably sensitive and rapid %RH sensor having a reversible response using a nanocasting route for synthesizing mesoporous g-CN (commonly known as g-C 3 N 4 ). The 3D replicated cubic mesostructure provides a high surface area thereby increasing the adsorption, transmission of charge carriers and desorption of water molecules across the sensor surfaces. Owing to its unique structure, the mesoporous g-CN functionalized with well dispersed catalytic Ag nanoparticles exhibits excellent sensitivity in the 11-98% RH range while retaining high stability, negligible hysteresis and superior real time %RH detection performances. Compared to conventional resistive sensors based on metal oxides, a rapid response time (3 s) and recovery time (1.4 s) were observed in the 11-98% RH range. Such impressive features originate from the planar morphology of g-CN as well as unique physical affinity and favourable electronic band positions of this material that facilitate water adsorption and charge transportation. Mesoporous g-CN with Ag nanoparticles is demonstrated to provide an effective strategy in designing high performance %RH sensors and show great promise for utilization of mesoporous 2D layered materials in the Internet of Things and next generation humidity sensing applications.

Synthesis, characterization and electrochemical performance of Al-substituted Li_2MnO_3

International Nuclear Information System (INIS)

Torres-Castro, Loraine; Shojan, Jifi; Julien, Christian M.; Huq, Ashfia; Dhital, Chetan; Paranthaman, Mariappan Parans; Katiyar, Ram S.; Manivannan, Ayyakkannu

2015-01-01

Graphical abstract: Comparison of the cycling performances for pure Li_2MnO_3 and Al-substituted Li_2MnO_3 compounds at a current density of 10 mAh g"−"1 for 100 cycles. Al-substitution increases the spinel phase and hence improves the cycling behavior. - Highlights: • Pure and Al-doped Li_2MnO_3 compounds were synthesized by a Pechini method. • Presence of monoclinic and spinel phases confirmed by Raman and Neutron diffraction. • Al substitution occurs at both Mn and Li sites in Li_2MnO_3 structure. • Al substitution reduces Mn valence state and promotes spinel phase formation. • Stable cycling capacity of 70 mAh g"−"1 was observed for nominal Li_0_._5Al_0_._5MnO_3. - Abstract: Li_2MnO_3 is known to be electrochemically inactive due to Mn in tetravalent oxidation state. Several compositions such as Li_2MnO_3, Li_1_._5Al_0_._1_7MnO_3, Li_1_._0Al_0_._3_3MnO_3 and Li_0_._5Al_0_._5MnO_3 were synthesized by a sol–gel Pechini method. All the samples were characterized with XRD, Raman, XPS, SEM, Tap density and BET analyzer. XRD patterns indicated the presence of monoclinic phase for pristine Li_2MnO_3 and mixed monoclinic/spinel phases (Li_2_−_xMn_1_−_yAl_x_+_yO_3_+_z) for Al-substituted Li_2MnO_3 compounds. The Al substitution seems to occur both at Li and Mn sites, which could explain the presence of spinel phase. XPS analysis for Mn 2p orbital reveals a significant decrease in binding energy for Li_1_._0Al_0_._3_3MnO_3 and Li_0_._5Al_0_._5MnO_3 compounds. Cyclic voltammetry, charge/discharge cycles and electrochemical impedance spectroscopy were also performed. A discharge capacity of 24 mAh g"−"1 for Li_2MnO_3, 68 mAh g"−"1 for Li_1_._5Al_0_._1_7MnO_3, 58 mAh g"−"1 for Li_1_._0Al_0_._3_3MnO_3 and 74 mAh g"−"1 for Li_0_._5Al_0_._5MnO_3 were obtained. Aluminum substitutions increased the formation of spinel phase which is responsible for cycling.

Branching fractions of the CN + C3H6 reaction using synchrotron photoionization mass spectrometry: evidence for the 3-cyanopropene product.

Science.gov (United States)

Trevitt, Adam J; Soorkia, Satchin; Savee, John D; Selby, Talitha S; Osborn, David L; Taatjes, Craig A; Leone, Stephen R

2011-11-24

The gas-phase CN + propene reaction is investigated using synchrotron photoionization mass spectrometry (SPIMS) over the 9.8-11.5 eV photon energy range. Experiments are conducted at room temperature in 4 Torr of He buffer gas. The CN + propene addition reaction produces two distinct product mass channels, C(3)H(3)N and C(4)H(5)N, corresponding to CH(3) and H elimination, respectively. The CH(3) and H elimination channels are measured to have branching fractions of 0.59 ± 0.15 and 0.41 ± 0.10, respectively. The absolute photoionization cross sections between 9.8 and 11.5 eV are measured for the three considered H-elimination coproducts: 1-, 2-, and 3-cyanopropene. Based on fits using the experimentally measured photoionization spectra for the C(4)H(5)N mass channel and contrary to the previous study (Int. J. Mass. Spectrom.2009, 280, 113-118), where it was concluded that 3-cyanopropene was not a significant product, the new data suggests 3-cyanopropene is produced in significant quantity along with 1-cyanopropene, with isomer branching fractions from this mass channel of 0.50 ± 0.12 and 0.50 ± 0.24, respectively. However, similarities between the 1-, 2-, and 3-cyanopropene photoionization spectra make an unequivocal assignment difficult based solely on photoionization spectra. The CN + CH(2)CHCD(3) reaction is studied and shows, in addition to the H-elimination product signal, a D-elimination product channel (m/z 69, consistent with CH(2)CHCD(2)CN), providing further evidence for the formation of the 3-cyanopropene reaction product.

Neutron spectroscopy of the crystalline-electric-field in Nd{sub 1-x}Sr{sub x}MnO{sub 3} (x=0, 0.3) and PrMnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Podelsnyak, A.; Mirmelstein, A. [Inst. for Metal Physics, Ekaterinburg (Russian Federation); Zolliker, M.; Furrer, A. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1997-09-01

Ln{sub 1-x}A{sub {sub x}}MnO{sub 3} manganese perovskite are of interest because of their magnetic and transport properties. Inelastic neutron scattering has been employed to search for crystalline-electric-field (CEF) transitions in Nd{sub 1-x}Sr{sub x}MnO{sub 3} (x=0, 0.3) and PrMnO{sub 3} compounds. (author) 1 fig., 3 refs.

La2/3Sr1/3MnO3-La0.1Bi0.9MnO3 heterostructures for spin filtering

Science.gov (United States)

Gajek, M.; Bibes, M.; Varela, M.; Fontcuberta, J.; Herranz, G.; Fusil, S.; Bouzehouane, K.; Barthélémy, A.; Fert, A.

2006-04-01

We have grown heterostructures associating half-metallic La2/3Sr1/3MnO3 (LSMO) bottom electrodes and ferromagnetic La0.1Bi0.9MnO3 (LBMO) tunnel barriers. The layers in the heterostructures have good structural properties and top LBMO films (4 nm thick) have a very low roughness when deposited onto LSMO/SrTiO3(1.6 nm) templates. The LBMO films show an insulating behavior and a ferromagnetic character that are both preserved down to very low thicknesses. They are thus suitable for being used as tunnel barriers. Spin-dependent transport measurements performed on tunnel junctions defined from LSMO/SrTiO3/LBMO/Au samples show a magnetoresistance of up to ~90% at low temperature and bias. This evidences a spin-filtering effect by the LBMO layer, with a spin-filtering efficiency of ~35%.

Magnetostriction of Hexagonal HoMnO3 and YMnO3 Single Crystals

Science.gov (United States)

Pavlovskii, N. S.; Dubrovskii, A. A.; Nikitin, S. E.; Semenov, S. V.; Terent'ev, K. Yu.; Shaikhutdinov, K. A.

2018-03-01

We report on the magnetostriction of hexagonal HoMnO3 and YMnO3 single crystals in a wide range of applied magnetic fields (up to H = 14 T) at all possible combinations of the mutual orientations of magnetic field H and magnetostriction Δ L/L. The measured Δ L/L( H, T) data agree well with the magnetic phase diagram of the HoMnO3 single crystal reported previously by other authors. It is shown that the nonmonotonic behavior of magnetostriction of the HoMnO3 crystal is caused by the Ho3+ ion; the magnetic moment of the Mn3+ ion parallel to the hexagonal crystal axis. The anomalies established from the magnetostriction measurements of HoMnO3 are consistent with the phase diagram of these compounds. For the isostructural YMnO3 single crystal with a nonmagnetic rare-earth ion, the Δ L/L( H, T) dependences are described well by a conventional quadratic law in a wide temperature range (4-100 K). In addition, the magnetostriction effect is qualitatively estimated with regard to the effect of the crystal electric field on the holmium ion.

Is interstellar detection of higher members of the linear radicals CnCH and CnN feasible?

Science.gov (United States)

Pauzat, F.; Ellinger, Y.; Mclean, A. D.

1991-01-01

Rotational constants and dipole moments for linear-chain radicals CnCH and CnN are estimated using a combinatiaon of ab initio molecular orbital calculations and observed data on the starting members of the series. CnCH with n = 0-5 have been observed by radioastronomy in carbon-rich interstellar clouds; higher members of the series have 2Pi ground states with large dipole moments and are strong candidates for observation. CN and C3N have also been observed by radioastronomy; higher members of the series, with the possible exception of C5N, have 2Pi ground states with near-zero dipole moments making their interstellar detection hopeless under present observational conditions. C5N can be a strong candidate only if it has a 2Sigma ground state, and best computations so far indicate that this is not the case.

The analysis of strain of giant magnetoresistive Pr0.7Sr0.3MnO3/La0.5Ca0.5MnO3/Pr0.7Sr0.3MnO-3 trilayers

International Nuclear Information System (INIS)

Wang Haiou; Liu Hao; Dai Ping; Tan Weishi; Wu Xiaoshan; Jia Quanjie; Li Xiaolong

2012-01-01

Pr 0.7 Sr 0.3 MnO 3 /La 0.5 Ca 0.5 MnO 3 /Pr 0.7 Sr 0.3 MnO 3 (PSMO/LCMO/PSMO) trilayers were deposited on (001)-oriented single crystal MgO by pulsed laser deposition. The thickness of both PSMO layers was 36 nm while the thickness of LCMO layer was 6, 12, 18, 24, 30 and 36 nm, respectively. Out-of-plane and in-plane lattice parameters of trilayers were obtained by using symmetric scanning and asymmetric scanning mode of high resolution X-ray diffraction. Strain states of trilayers have been studied. The results showed that strain relaxation states of trilayers were decided by bulk strain and Jahn-Teller (JT) strain together: The mechanism for strain relaxation in trilayers is different from that for tetragonal distortion. The competition between bulk strain and Jahn-Teller (JT) strain played an important role in the magnetotransport and magnetic properties of trilayers. (authors)

Synthesis of highly efficient Mn{sub 2}O{sub 3} catalysts for CO oxidation derived from Mn-MIL-100

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiaodong, E-mail: fatzhxd@126.com [Environment and Low-Carbon Research Center, School of Environment and Architecture, University of Shanghai for Science and Technology, Shanghai 200093 (China); Li, Hongxin; Hou, Fulin; Yang, Yang; Dong, Han; Liu, Ning [Environment and Low-Carbon Research Center, School of Environment and Architecture, University of Shanghai for Science and Technology, Shanghai 200093 (China); Wang, Yuxin [Institute of Applied Biotechnology, Taizhou Vocation & Technical College, Taizhou, Zhejiang 318000 (China); Cui, Lifeng, E-mail: lifeng.cui@gmail.com [Environment and Low-Carbon Research Center, School of Environment and Architecture, University of Shanghai for Science and Technology, Shanghai 200093 (China)

2017-07-31

Highlights: • The morphology of porous Mn{sub 2}O{sub 3} cubes was inherited from Mn-MIL-100 template. • Mn{sub 2}O{sub 3} obtained at calcined temperature of 700 °C displayed high activity. • Enhanced activity is attributed to surface active oxygen, and reduction behavior. - Abstract: In this work, metal-organic frameworks (MOFs) Mn-MIL-100 were first prepared, which were next used as templates to obtain the irregular porous Mn{sub 2}O{sub 3} cubes through calcination with air at different temperature. The catalysts were characterized by N{sub 2} adsorption-desorption, X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscopy (TEM), H{sub 2}-temperature program reduction (H{sub 2}-TPR) and X-ray photoelectron spectroscopic (XPS). The catalytic activity for CO oxidation over Mn{sub 2}O{sub 3} catalysts was investigated. It was found that calcination temperature had a strong effect on the structure and catalytic activity of Mn{sub 2}O{sub 3} catalyst. Mn{sub 2}O{sub 3} catalyst obtained by calcined at 700 °C (Mn{sub 2}O{sub 3}-700) showed a smaller specific surface area, but displayed a high catalytic activity and excellent stability with a complete CO conversion temperature (T{sub 98}) of 240 °C, which was attributed to the unique structure, a high quantity of surface active oxygen species, smaller particle size, oxygen vacancies and good low temperature reduction behavior. The effect of water vapor on catalytic activity was also examined. The introduction of water vapor to the feedstock induced a positive effect on CO oxidation over Mn{sub 2}O{sub 3}-700 catalyst. Furthermore, no obvious drop is observed in activity over catalysts even in the presence of water vapor during 48 h.

Synthesis, microstructure and EPR of CaMnO3 and EuxCa1-xMnO3 manganite, obtained by coprecipitation

International Nuclear Information System (INIS)

Santiago T, M.; Hernandez C, L.; Legorreta G, F.; Montiel S, H.; Alvarez L, G.; Flores G, M. A.

2011-01-01

The synthesis of CaMnO 3 and Eu x Ca 1-x MnO 3 obtained by coprecipitation method is showed. The synthesized samples were characterized by X-ray diffraction and scanning electronic microscopy, the powders showed orthorhombic structure and pnma space group. When it was doped with Europium, their morphology tendency was spherical. Measurements were carried out on electron paramagnetic resonance (EPR) with constant frequency = 9.4 GHz (band X) and dc magnetic field (H dc) 0-0.8 T, measurements were at 300 K and 77 K. EPR spectra showed significant differences between both samples, indicating that the substitution of divalent alkaline earth cations by trivalent rare earth ions, allowing the formation of a mixed valence state of manganese, Mn 3+ and Mn 4+ . A 77 K, the manganite of concentration x = 0.30 had a magnetic ordering, noted by the presence of hysteresis. (Author)

Negative magnetization induced by Mn doping in YCrO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Li, C.L. [School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); Huang, S. [Institute of Materials Physics, Hangzhou Dianzi University, Hangzhou 310018 (China); Li, X.X.; Zhu, C.M.; Zerihun, G.; Yin, C.Y. [School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); Lu, C.L., E-mail: cllu@hust.edu.cn [School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); Yuan, S.L., E-mail: yuansl@hust.edu.cn [School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China)

2017-06-15

Highlights: • Negative magnetization is firstly observed in Mn doped YCrO{sub 3} ceramics. • The phenomenon is originated from the antiferromagnetic coupling of three different interactions. • The increase of magnetization for samples is attributed to the ferromagnetic exchange interaction between Cr{sup 3+} and Mn{sup 3+}. - Abstract: A series of ceramic samples YCr{sub 1−x}Mn{sub x}O{sub 3} (0.15 ⩽ x ⩽ 0.4) with orthorhombic phase were prepared by a modified Pechini method, the structure and magnetic properties were studied in details. Our experiments revealed remarkable negative magnetization induced by the competition among multiple exchange interactions. The negative magnetization is result from the antiferromagnetic coupling of weak ferromagnetic moments of Mn{sup 3+}–Mn{sup 3+} and Cr{sup 3+}–Cr{sup 3+} with that of Cr{sup 3+}–Mn{sup 3+} interactions. And the strength of the magnetization is closely related to the temperature, magnetic field and the value of x. Below the compensation temperature, the absolute of negative magnetization firstly increases and then decreases with the increase of x, which is correlated with the weakening of Cr{sup 3+}–Cr{sup 3+} interaction and the enhancement of Mn{sup 3+}–Mn{sup 3+} interaction. The increase of magnetization obtained from the hysteresis loops is attributed to the ferromagnetic exchange interaction between Cr{sup 3+} and Mn{sup 3+}. Moreover, the magnetic switching by only changing the magnetic field strength and both normal and inverse magnetocaloric effects were demonstrated.

Influência da refusão por plasma na microestrutura de um revestimento Fe-Mn-Cr-Si depositado por aspersão térmica arco elétrico sobre aço inoxidável ASTM A743-CA6NM Influence of plasma remelting on the microstructure of Fe-Mn-Cr-Si arc thermal spray coating deposited on ASTM A743-CA6NM stainless steel

Directory of Open Access Journals (Sweden)

Anderson Geraldo Marenda Pukasiewicz

2012-03-01

Full Text Available ASTM A743-CA6NM é um aço inoxidável martensítico muito utilizado na fabricação de turbinas hidráulicas devido a sua elevada tenacidade, entretanto apresenta restrições com relação à regiões recuperadas por soldagem. Diferentes técnicas de deposição tem sido aplicadas com o intuito de reduzir ou eliminar a tensão residual. A deposição de revestimentos resistentes a cavitação é outra forma importante de aumentar a vida útil destes componentes. O objetivo deste trabalho é avaliar a influência do tipo e intensidade de corrente de refusão por plasma na microestrutura, composição química e microdureza de um revestimento Fe-Mn-Cr-Si resistente a cavitação depositado por aspersão térmica arco elétrico sobre aço ASTMA743-CA6NM. Observou-se que a adoção de menores valores de corrente média, assim como a utilização de corrente pulsada reduziram a formação de ferrita δ e a espessura final da ZTA, possibilitando a formação do revestimento com menores alterações na microestrutura do metal base. Verificou-se que a microestrutura e microdureza dos revestimentos refundidos não se mostraram muito sensível a variações na diluição do metal base. A utilização de corrente contínua promoveu um alinhamento da estrutura dendrítica no sentido da movimentação da tocha, entretanto este comportamento não foi observado em revestimentos refundidos com corrente pulsada.ASTM A743-CA6NM martensitic stainless steel have been used in hydraulic turbines manufacturing, but show some restrictions in welded recovered areas. Different techniques have been applied in order to reduce or eliminate residual stress, with life increase. The deposition of cavitation resistant coatings is another important way to increase the service life of these components. The objective of this study is evaluate the influence of type and intensity of plasma remelting current on the microstructure, chemical composition and microhardness of the Fe-Cr-Mn

AuRu/meso-Mn2O3: A Highly Active and Stable Catalyst for Methane Combustion

Science.gov (United States)

Han, Z.; Fang, J. Y.; Xie, S. H.; Deng, J. G.; Liu, Y. X.; Dai, H. X.

2018-05-01

Three-dimensionally ordered mesoporous Mn2O3 (meso-Mn2O3) and its supported Au, Ru, and AuRu alloy (0.49 wt% Au/meso-Mn2O3, 0.48 wt% Ru/meso-Mn2O3, and 0.97 wt% AuRu/meso-Mn2O3 (Au/Ru molar ratio = 0.98)) nanocatalysts were prepared using the KIT-6-templating and polyvinyl alcohol-protected reduction methods, respectively. Physicochemical properties of the samples were characterized by means of numerous techniques, and their catalytic activities were evaluated for the combustion of methane. It is found that among all of the samples, 0.48 wt% Ru/meso-Mn 2O3 and 0.97 wt% AuRu/meso-Mn2O3 performed the best (the reaction temperature (T90% ) at 90% methane conversion was 530-540°C), but the latter showed a better thermal stability than the former. The partial deactivation of 0.97 wt% AuRu/meso-Mn2O3 due to H2O or CO2 introduction was reversible. It is concluded that the good catalytic activity and thermal stability of 0.97 wt% AuRu/meso-Mn2O3 was associated with the high dispersion of AuRu alloy NPs (2-5 nm) on the surface of meso-Mn2O3 and good low-temperature reducibility.

Synthesis of polypyrrole within the cell wall of yeast by redox-cycling of [Fe(CN)6](3-)/[Fe(CN)6](4-).

Science.gov (United States)

Ramanavicius, Arunas; Andriukonis, Eivydas; Stirke, Arunas; Mikoliunaite, Lina; Balevicius, Zigmas; Ramanaviciene, Almira

2016-02-01

Yeast cells are often used as a model system in various experiments. Moreover, due to their high metabolic activity, yeast cells have a potential to be applied as elements in the design of biofuel cells and biosensors. However a wider application of yeast cells in electrochemical systems is limited due to high electric resistance of their cell wall. In order to reduce this problem we have polymerized conducting polymer polypyrrole (Ppy) directly in the cell wall and/or within periplasmic membrane. In this research the formation of Ppy was induced by [Fe(CN)6](3-)ions, which were generated from K4[Fe(CN)6], which was initially added to polymerization solution. The redox process was catalyzed by oxido-reductases, which are present in the plasma membrane of yeast cells. The formation of Ppy was confirmed by spectrophotometry and atomic force microscopy. It was confirmed that the conducting polymer polypyrrole was formed within periplasmic space and/or within the cell wall of yeast cells, which were incubated in solution containing pyrrole, glucose and [Fe(CN)6](4-). After 24h drying at room temperature we have observed that Ppy-modified yeast cell walls retained their initial spherical form. In contrast to Ppy-modified cells, the walls of unmodified yeast have wrinkled after 24h drying. The viability of yeast cells in the presence of different pyrrole concentrations has been evaluated. Copyright © 2015 Elsevier Inc. All rights reserved.

Is interstellar detection of higher members of the linear radicals CnCH and CnN feasible?

International Nuclear Information System (INIS)

Pauzat, F.; Ellinger, Y.; Mclean, A.D.

1991-01-01

Rotational constants and dipole moments for linear-chain radicals CnCH and CnN are estimated using a combinatiaon of ab initio molecular orbital calculations and observed data on the starting members of the series. CnCH with n = 0-5 have been observed by radioastronomy in carbon-rich interstellar clouds; higher members of the series have 2Pi ground states with large dipole moments and are strong candidates for observation. CN and C3N have also been observed by radioastronomy; higher members of the series, with the possible exception of C5N, have 2Pi ground states with near-zero dipole moments making their interstellar detection hopeless under present observational conditions. C5N can be a strong candidate only if it has a 2Sigma ground state, and best computations so far indicate that this is not the case. 20 refs

Tilt engineering of exchange coupling at G-type SrMnO3/(La,Sr)MnO3 interfaces

Science.gov (United States)

Li, F.; Song, C.; Wang, Y. Y.; Cui, B.; Mao, H. J.; Peng, J. J.; Li, S. N.; Wang, G. Y.; Pan, F.

2015-11-01

With the recent realization of hybrid improper ferroelectricity and room-temperature multiferroic by tilt engineering, “functional” octahedral tilting has become a novel concept in multifunctional perovskite oxides, showing great potential for property manipulation and device design. However, the control of magnetism by octahedral tilting has remained a challenging issue. Here a qualitative and quantitative tilt engineering of exchange coupling, one of the magnetic properties, is demonstrated at compensated G-type antiferromagnetic/ferromagnetic (SrMnO3/La2/3Sr1/3MnO3) interfaces. According to interfacial Hamiltonian, exchange bias (EB) in this system originates from an in-plane antiphase rotation (a-) in G-type antiferromagnetic layer. Based on first-principles calculation, tilt patterns in SrMnO3 are artificially designed in experiment with different epitaxial strain and a much stronger EB is attained in the tensile heterostructure than the compressive counterpart. By controlling the magnitude of octahedral tilting, the manipulation of exchange coupling is even performed in a quantitative manner, as expected in the theoretical estimation. This work realized the combination of tilt engineering and exchange coupling, which might be significant for the development of multifunctional materials and antiferromagnetic spintronics.

Mid - infrared transmission of polycrystalline (LaSr) (MnNi)O3

International Nuclear Information System (INIS)

Laksanawati, W. D.; Kurniawan, B.; Saptari, S. A.

2016-01-01

Polycrystalline (LaSr)(MnNi)O 3 was shintesized using sol gel methods with nitrat precursors La(NO 3 ) 3 , Sr(NO 3 ) 2 , Mn(NO 3 ) 2 .4H 2 O, and Ni(NO3)2.6H2O and the different heating process. Sample (LaSr)(MnNi)O 3 with chemical formulation La 0,67 Sr 0,33 Mn 1-x Ni x O 3 with × = 0,05 and 0,10. We report the crystallite structure of La 0,67 Sr 0,33 Mn 1-x Ni x O 3 with x= 0,00 and 0,10 are single phase with characterization by X-ray diffraction. Refinement has result that crystallite size of La 0,67 Sr 0,33 Mn 0,95 Ni 0,05 O 3 is 24,67 and La 0,67 Sr 0,33 Mn 0,9 Ni 0,1 O 3 is 21,84 with crystallite system rombohedral, it show us that increasing at Ni composition influence of decreased crystallite size. Sampel (LaSr)(MnNi)O3 has been characterization with Fourier Transform Infrared with range of wave number from 450 to 4000 cm -1 were chategories at mid infrared wave. The FTIR pattern show to us that the Mn-O-Mn bounded has absorp infrared at wave number 605 cm -1 and the dominant peak at wave number 3750 cm -1 caused the hidroxy compound in sampel La 0,67 Sr 0,33 Mn 0,95 Ni 0,05 O 3 . (paper)

Evidence of amino acid precursors: C-N bond coupling in simulated interstellar CO2/NH3 ices

Science.gov (United States)

Esmaili, Sasan

2015-08-01

Low energy secondary electrons are abundantly produced in astrophysical or planetary ices by the numerous ionizing radiation fields typically encountered in space environments and may thus play a role in the radiation processing of such ices [1]. One approach to determine their chemical effect is to irradiate nanometer thick molecular solids of simple molecular constituents, with energy selected electron beams and to monitor changes in film chemistry with the surface analytical techniques [2].Of particular interest is the formation of HCN, which is a signature of dense gases in interstellar clouds, and is ubiquitous in the ISM. Moreover, the chemistry of HCN radiolysis products such as CN- may be essential to understand of the formation of amino acids [3] and purine DNA bases. Here we present new results on the irradiation of multilayer films of CO2 and NH3 with 70 eV electrons, leading to CN bond formations. The electron stimulated desorption (ESD) yields of cations and anions are recorded as a function of electron fluence. The prompt desorption of cationic reaction/scattering products [4], is observed at low fluence (~4x1013 electrons/cm2). Detected ions include C2+, C2O2+, C2O+, CO3+, C2O3+ or CO4+ from pure CO2, and N+, NH+, NH2+, NH3+, NH4+, N2+, N2H+ from pure NH3, and NO+, NOH+ from CO2/NH3 mixtures. Most saliently, increasing signals of negative ion products desorbing during prolonged irradiation of CO2/NH3 films included C2-, C2H-, C2H2-, as well as CN-, HCN- and H2CN-. The identification of particular product ions was accomplished by using 13CO2 and 15NH3 isotopes. The chemistry induced by electrons in pure films of CO2 and NH3 and mixtures with composition ratios (3:1), (1:1), and (1:3), was also studied by X-ray photoelectron spectroscopy (XPS). Irradiation of CO2/NH3 mixed films at 22 K produces species containing the following bonds/functional groups identified by XPS: C=O, O-H, C-C, C-O, C=N and N=O. (This work has been funded by NSERC).

Energy transfer of the quantum-cutter couple Pr{sup 3+}–Mn{sup 2+} in CaF{sub 2}:Pr{sup 3+}, Mn{sup 2+} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Kuzmanoski, Ana [Karlsruhe Institute of Technology (KIT), Institute of Inorganic Chemistry, Engesserstraße 15, D-76131 Karlsruhe (Germany); Pankratov, Vladimir, E-mail: vpank@latnet.lv [Research Center of Molecular Materials, University of Oulu, PO Box 3000, 90014 Oulu (Finland); Feldmann, Claus, E-mail: claus.feldmann@kit.edu [Karlsruhe Institute of Technology (KIT), Institute of Inorganic Chemistry, Engesserstraße 15, D-76131 Karlsruhe (Germany)

2016-11-15

CaF{sub 2}:Pr (1 mol%), CaF{sub 2}:Mn (5 mol%) and CaF{sub 2}:Pr,Mn (1 mol%, 5 mol%) nanoparticles are prepared via a microwave-mediated synthesis in ionic liquids. The nanoparticles are highly crystalline and exhibit particle diameters <50 nm.In contrast to bulk-CaF{sub 2}:Pr,Mn,energy transfer between Pr{sup 3+}and Mn{sup 2+}under {sup 1}S{sub 0}→{sup 1}I{sub 6} relaxation on Pr{sup 3+} and {sup 4}G({sup 4}T{sub 1g})→{sup 6}S(A{sub 1g}) emission of Mn{sup 2+} is observed for the first time. Such energy transfer represents the essential first step of the quantum-cutting cascade via the Pr{sup 3+}–Mn{sup 2+} couple, which is most interesting as both expected photons – {sup 3}P{sub 0}→{sup 3}H{sub 4} emission of Pr{sup 3+}and {sup 4}G({sup 4}T{sub 1g})→{sup 6}S(A{sub 1g}) emission of Mn{sup 2+} – are emitted in the green spectral range. While bulk crystals were said not to show energy transfer due to prohibiting selection rules, vacuum ultraviolet (VUV) spectroscopy of CaF{sub 2}:Pr, Mn nanoparticles firstly proves efficient Pr{sup 3+}→Mn{sup 2+} energy transfer, which can be ascribed to the reduced site symmetry and considerable spin–orbit interaction in the nanocrystals.

A novel reduction synthesis of the graphene/Mn{sub 3}O{sub 4} nanocomposite for supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Zhang, Na; Qi, Peng; Ding, Yan-Hua; Huang, Cheng-Jie; Zhang, Jian-Yong; Fang, Yong-Zheng

2016-05-15

Graphene/Mn{sub 3}O{sub 4} nanocomposite is successfully synthesized from graphene oxide (GO)/MnO{sub 2} precursor using dilute hydrazine hydrate assisted hydrothermal reaction (DAH method). X-ray photoelectron spectroscopy (XPS) and Raman characterizations confirm the decrease of oxygen-containing functional groups of GO. The results indicate that GO have been reduced to graphene to a large degree to increase the electronic conductive channels. The morphology and the phase transformation of MnO{sub 2} can be ascribed to the “dissolution-recrystallization” mechanism. Such nanocomposite, as electrode material for supercapacitor, exhibits a high specific capacitance of 326.9 F g{sup −1}, almost 4 times that of GO/MnO{sub 2} precursor (81.3 F g{sup −1}). The good cycle stability of 94.6% capacitance retention after 1000 cycles, can be explained by the firm interfacial cohesion between graphene and Mn{sub 3}O{sub 4} nanoparticle. This soft chemical DAH process could be readily extended to the preparation of other classes of hybrids. - Graphical abstract: The phase transition can be explained by the “dissolution-recrystallization” model. The GO/MnO{sub 2} precursor is reduced into graphene/Mn{sub 3}O{sub 4} by the DAH process, and the electrochemical property is dramatically enhanced. - Highlights: • Graphene/Mn{sub 3}O{sub 4} nanocomposite is firstly synthesized successfully from GO/MnO{sub 2} precursor. • The phase transformation from MnO{sub 2} to Mn{sub 3}O{sub 4} has occurred. • The specific capacitance of the graphene/Mn{sub 3}O{sub 4} (326.9 F/g) is 4 times that of GO/MnO{sub 2} precursor.

G331.512–0.103: An Interstellar Laboratory for Molecular Synthesis. I. The Ortho-to-para Ratios for CH3OH and CH3CN

Science.gov (United States)

Mendoza, Edgar; Bronfman, Leonardo; Duronea, Nicolas U.; Lépine, Jacques R. D.; Finger, Ricardo; Merello, Manuel; Hervías-Caimapo, Carlos; Gama, Diana R. G.; Reyes, Nicolas; Åke-Nyman, Lars

2018-02-01

Spectral line surveys reveal rich molecular reservoirs in G331.512–0.103, a compact radio source in the center of an energetic molecular outflow. In this first work, we analyze the physical conditions of the source by means of CH3OH and CH3CN. The observations were performed with the APEX Telescope. Six different system configurations were defined to cover most of the band within (292–356) GHz as a consequence, we detected a forest of lines toward the central core. A total of 70 lines of A/E–CH3OH and A/E–CH3CN were analyzed, including torsionally excited transitions of CH3OH ({ν }t=1). In a search for all the isotopologues, we identified transitions of 13CH3OH. The physical conditions were derived considering collisional and radiative processes. We found common temperatures for each A and E symmetry of CH3OH and CH3CN; the derived column densities indicate an A/E equilibrated ratio for both tracers. The results reveal that CH3CN and CH3OH trace a hot and cold component with {T}k∼ 141 K and {T}k∼ 74 K, respectively. In agreement with previous ALMA observations, the models show that the emission region is compact (≲ 5\\buildrel{\\prime\\prime}\\over{.} 5) with gas density n(H2) = (0.7–1)×107 cm‑3. The CH3OH/CH3CN abundance ratio and the evidences for prebiotic and complex organic molecules suggest a rich and active chemistry toward G331.512–0.103.

Oxygen evolution from BF3/MnO4-.

Science.gov (United States)

Yiu, Shek-Man; Man, Wai-Lun; Wang, Xin; Lam, William W Y; Ng, Siu-Mui; Kwong, Hoi-Ki; Lau, Kai-Chung; Lau, Tai-Chu

2011-04-14

MnO(4)(-) is activated by BF(3) to undergo intramolecular coupling of two oxo ligands to generate O(2). DFT calculations suggest that there should be a spin intercrossing between the singlet and triplet potential energy surfaces on going from the active intermediate [MnO(2)(OBF(3))(2)](-) to the O···O coupling transition state.

High Curie temperature Bi(1.85)Mn(0.15)Te3 nanoplates.

Science.gov (United States)

Cheng, Lina; Chen, Zhi-Gang; Ma, Song; Zhang, Zhi-dong; Wang, Yong; Xu, Hong-Yi; Yang, Lei; Han, Guang; Jack, Kevin; Lu, Gaoqing Max; Zou, Jin

2012-11-21

Bi(1.85)Mn(0.15)Te(3) hexagonal nanoplates with a width of ~200 nm and a thickness of ~20 nm were synthesized using a solvothermal method. According to the structural characterization and compositional analysis, the Mn(2+) and Mn(3+) ions were found to substitute Bi(3+) ions in the lattice. High-level Mn doping induces significant lattice distortion and decreases the crystal lattice by 1.07% in the a axis and 3.18% in the c axis. A high ferromagnetic state with a Curie temperature of ~45 K is observed in these nanoplates due to Mn(2+) and Mn(3+) ion doping, which is a significant progress in the field of electronics and spintronics.

76 FR 78614 - Welded ASTM A-312 Stainless Steel Pipe From South Korea and Taiwan: Continuation of Antidumping...

Science.gov (United States)

2011-12-19

... DEPARTMENT OF COMMERCE International Trade Administration [A-580-810, A-583-815] Welded ASTM A-312... revocation of the antidumping duty orders on welded ASTM A-312 stainless steel pipe from South Korea (Korea... December 30, 1992, the Department published the antidumping duty orders on welded ASTM A-312 stainless...

Solid state synthesis of Mn{sub 5}Ge{sub 3} in Ge/Ag/Mn trilayers: Structural and magnetic studies

Energy Technology Data Exchange (ETDEWEB)

Myagkov, V.G.; Bykova, L.E.; Matsynin, A.A.; Volochaev, M.N.; Zhigalov, V.S.; Tambasov, I.A. [Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Mikhlin, Yu L. [Institute of Chemistry and Chemical Technology, SB RAS, Krasnoyarsk 660049 (Russian Federation); Velikanov, D.A. [Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Bondarenko, G.N. [Institute of Chemistry and Chemical Technology, SB RAS, Krasnoyarsk 660049 (Russian Federation)

2017-02-15

The thin-film solid-state reaction between elemental Ge and Mn across chemically inert Ag layers with thicknesses of (0, 0.3, 1 and 2.2 µm) in Ge/Ag/Mn trilayers was studied for the first time. The initial samples were annealed at temperatures between 50 and 500 °C at 50 °C intervals for 1 h. The initiation temperature of the reaction for Ge/Mn (without a Ag barrier layer) was ~ 120 °C and increased slightly up to ~ 250 °C when the Ag barrier layer thickness increased up to 2.2 µm. In spite of the Ag layer, only the ferromagnetic Mn{sub 5}Ge{sub 3} compound and the Nowotny phase were observed in the initial stage of the reaction after annealing at 500 °C. The cross-sectional studies show that during Mn{sub 5}Ge{sub 3} formation the Ge is the sole diffusing species. The magnetic and cross-sectional transmission electron microscopy (TEM) studies show an almost complete transfer of Ge atoms from the Ge film, via a 2.2 µm Ag barrier layer, into the Mn layer. We attribute the driving force of the long-range transfer to the long-range chemical interactions between reacting Mn and Ge atoms. - Graphical abstract: The direct visualization of the solid state reaction between Mn and Ge across a Ag buffer layer at 500 °C. - Highlights: • The migration of Ge, via an inert 2.2 µm Ag barrier, into a Mn layer. • The first Mn{sub 5}Ge{sub 3} phase was observed in reactions with different Ag layers. • The Ge is the sole diffusing species during Mn{sub 5}Ge{sub 3} formation • The long-range chemical interactions control the Ge atomic transfer.

Crystal-field and Nd-Mn exchange interaction in Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Beznosov, A; Fertman, E; Desnenko, V; Loginov, A [B Verkin Institute for Low Temperature Physics and Engineering, NASU, 47 Lenin Ave., 61103 Kharkov (Ukraine); Feher, A; Kajnakova, M, E-mail: fertman@ilt.kharkov.u [Centre of Low Temperature Physics of the Faculty of Science of P.J. Safarik University and IEP SAS, Park Angelinum 9, SK-04154 Kotice (Slovakia)

2010-01-01

A study of the low field magnetization and specific heat in magnetic fields up to 9 T of Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3} perovskite in the 2-30 K temperature range has been done. All the specific heat data show broadened Schottky-like anomaly below 20 K. We suppose that such a behavior originates from the Nd magnetic ordering caused by the splitting of the Nd{sup 3+} ions ground-state doublet (GSD) in the effective molecular field H{sub ex} of Mn spin system supplemented by an applied external magnetic field. The zero field GSD splitting is an evidence of a strong exchange coupling between Nd and Mn magnetic subsystems. The Nd-ions magnetic ordering introduces an additional contribution to the ferromagnetic moment producing anomalies of the field-cooled and zero-field-cooled magnetizations of the system below 28 K. The broadened Schottky-like anomalies found are fitted for every field by a set of three Schottky functions. Applied magnetic field extends the anomaly region and shifts it to the higher temperatures. Splitting of the higher crystal field Kramers doublets gives an additional contribution to the heat capacity under magnetic fields. The GSD g-factors g{sub ||} and g{sub p}erpendicular was estimated as 3.4 and 2.2, respectively, and H{sub ex} as 9 T.

Interstitial deletion of 5q33.3q35.1 in a boy with severe mental retardation

OpenAIRE

Lee, Jin Hwan; Kim, Hyo Jeong; Yoon, Jung Min; Cheon, Eun Jung; Lim, Jae Woo; Ko, Kyong Og; Lee, Gyung Min

2016-01-01

Constitutional interstitial deletions of the long arm of chromosome 5 (5q) are quite rare, and the corresponding phenotype is not yet clearly delineated. Severe mental retardation has been described in most patients who present 5q deletions. Specifically, the interstitial deletion of chromosome 5q33.3q35.1, an extremely rare chromosomal aberration, is characterized by mental retardation, developmental delay, and facial dysmorphism. Although the severity of mental retardation varies across cas...

Triosmium cluster compounds containing isocyanide and hydride ligands. Crystal and molecular structures of (μ-H)(H)Os3(CO)10(CN-t-C4H9) and (μ-H)2Os3(CO)9(CN-t-C4H9)

International Nuclear Information System (INIS)

Adams, R.D.; Golembski, N.M.

1979-01-01

The structures of the compounds (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ) and (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ) have been revealed by x-ray crystallographic techniques. For (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ): a = 9.064 (3), b = 12.225 (3), c = 20.364 (4) A; β = 98.73 (3) 0 ; space group P2 1 /c[C/sub 2h/ 5 ], No. 14; Z = 4; d/sub calcd/ = 2.79 g cm -3 . This compound contains a triangular cluster of three osmium atoms; Os(1)--Os(2) = 2.930 (1) A, Os(1)--Os(3) = 2.876 (1) A, and Os(2)--Os(3) = 3.000 (1) A. There are ten linear terminal carbonyl groups and one linear terminal isocyanide ligand which occupies an axial coordination site. The hydrogen atoms were not observed crystallographically, but their positions are strongly inferred from considerations of molecular geometry. For (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ): a = 15.220 (8), b = 12.093 (6), c = 23.454 (5) A; space group Pbcn [D/sub 2h/ 14 ], No. 60; Z = 8; d/sub calcd/ = 2.79 g cm -3 . The compound is analogous to the parent carbonyl (μ-H) 2 Os 3 (CO) 10 and has two normal and one short osmium--osmium bonds: Os(1)--Os(2) = 2.827 (1) A, Os(1)--Os(3) = 2.828 (1) A, Os(2)--Os(3) = 2.691 (1) A. The isocyanide ligand resides in an equatorial coordination site on osmium Os(2). The hydrogen atoms were not observed but are believed to occupy bridging positions as in the parent carbonyl complex. 2 figures, 7 tables

On the Adjacent Strong Equitable Edge Coloring of Pn ∨ Pn, Pn ∨ Cn and Cn ∨ Cn

OpenAIRE

Liu Jun; Zhao Chuan Cheng; Yao Shu Xia; Guo Ren Zhi; Yue Qiu Ju

2016-01-01

A proper edge coloring of graph G is called equitable adjacent strong edge coloring if colored sets from every two adjacent vertices incident edge are different,and the number of edges in any two color classes differ by at most one,which the required minimum number of colors is called the adjacent strong equitable edge chromatic number. In this paper, we discuss the adjacent strong equitable edge coloring of join-graphs about Pn ∨ Pn, Pn ∨ Cn and Cn ∨ Cn.

Synthesis of Li(x)Na(2-x)Mn2S3 and LiNaMnS2 through redox-induced ion exchange reactions

International Nuclear Information System (INIS)

Luthy, Joshua A.; Goodman, Phillip L.; Martin, Benjamin R.

2009-01-01

Na 2 Mn 2 S 3 was oxidatively deintercalated using iodine in acetonitrile to yield Na 1.3 Mn 2 S 3 , with lattice constants nearly identical to that of the reactant. Lithium was then reductively intercalated into the oxidized product to yield Li 0.7 Na 1.3 Mn 2 S 3 . When heated, this metastable compound decomposed to form a new crystalline compound, LiNaMnS 2 , along with MnS and residual Na 2 Mn 2 S 3 . Single crystal X-ray diffraction structural analysis of LiNaMnS 2 revealed that this compound crystallizes in P-3m1 with cell parameters a=4.0479(6) A, c=6.7759(14) A, V=96.15(3) A 3 (Z=1, wR2=0.0367) in the NaLiCdS 2 structure-type. - Graphical abstract: Structure of LiNaMnS 2 . Li and Mn are statistically distributed in edge-shared tetrahedral environments linked into infinite planes. Sodium ions occupy interlayer sites

Giant magnetostructural coupling in Gd{sub 2/3}Ca{sub 1/3}MnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Correa, V F; Nieva, G; Haberkorn, N [Comision Nacional de Energia Atomica, Centro Atomico Bariloche, 8400 S. C. de Bariloche (Argentina); Saenger, N [Fachbereich Physik, Universitaet Konstanz, D-78457 Konstanz (Germany); Jorge, G, E-mail: victor.correa@cab.cnea.gov.a [Departamento de Fisica, FCEyN, Universidad de Buenos Aires (Argentina)

2009-05-01

We report high magnetic field magnetostructural studies on Gd{sub 2/3}Ca{sub 1/3}MnO{sub 3} single crystals. A giant linear magnetostrictive effect is observed in a wide temperature range (T < 120 K). Above 25 K a large hysteresis is seen reflecting the Mn magnetic moments ordering. At lower temperature (T < 15 K), a rather complicated field dependence arising from the competition between the Mn and Gd magnetic sublattices is observed. The relevance of the Gd ions in the low temperature behavior is further corroborated by specific heat experiments.

High quality TbMnO3 films deposited on YAlO3

International Nuclear Information System (INIS)

Glavic, Artur; Voigt, Joerg; Persson, Joerg; Su, Yixi; Schubert, Juergen; Groot, Joost de; Zande, Willi; Brueckel, Thomas

2011-01-01

Research highlights: → We found a good substrate and suitable deposition parameters to create untwinned, epitaxial thin films of TbMnO 3 . → Laboratory experiments prove the crystalline quality of the films. → We were able to measure the micro magnetic structure in the films by polarized neutron diffraction (to our knowledge the first neutron investigations on TbMnO 3 thin films). - Abstract: High quality thin films of TbMnO 3 were grown by pulsed laser deposition on orthorhombicYAlO 3 (1 0 0). The interface and surface roughness of a 55 nm thick film were probed by X-ray reflectometry and atomic force microscopy, yielding a roughness of 1 nm. X-ray diffraction revealed untwinned films and a small mosaic spread of 0.04 o and 0.2 o for out-of-plane and in-plane reflections, respectively. This high degree of epitaxy was also confirmed by Rutherford backscattering spectrometry. Using polarized neutron diffraction we could identify a magnetic structure with the propagation vector (0 0.27 0), identical to the bulk magnetic structure of TbMnO 3 .

Electrical and magnetic behavior of La0.7Ca0.3MnO3/La0.7Sr0.2Ca0.1MnO3 composites

International Nuclear Information System (INIS)

Phong, P.T.; Dai, N.V.; Manh, D.H.; Thanh, T.D.; Khiem, N.V.; Hong, L.V.; Phuc, N.X.

2010-01-01

The electrical transport properties and the magnetoresistance of La 0.7 Ca 0.3 MnO 3 /La 0.7 Sr 0.2 Ca 0.1 MnO 3 composites are investigated as a function of sintering temperature. On the basis of an analysis by X-ray powder diffraction and scanning electron microscopy we suggest that raising the sintering temperature enhanced the interfacial reaction and creates interfacial phases at the boundaries of the La 0.7 Ca 0.3 MnO 3 and La 0.7 Sr 0.2 Ca 0.1 MnO 3 . Results also show that in 3 kOe, and at the Curie temperature, the magnetoresistance value of 14% was observed for the composite sintered at 1300 o C. Based on the phenomenological equation for conductivity under a percolation approach, which depends on the phase segregation of ferromagnetic metallic clusters and paramagnetic insulating regions, we fitted the experimental resistivity-temperature data from 50-300 K and find that the activation barrier decreases as temperature is increased.

Ductile fracture toughness of heavy section pressure vessel steel plate. A specimen-size study of ASTM A 533 steels

International Nuclear Information System (INIS)

Williams, J.A.

1979-09-01

The ductile fracture toughness, J/sub Ic/, of ASTM A 533, Grade B, Class 1 and ASTM A 533, heat treated to simulate irradiation, was determined for 10- to 100-mm thick compact specimens. The toughness at maximum specimen load was also measured to determine the conservatism of J/sub Ic/. The toughness of ASTM A 533, Grade B, Class 1 steel was 349 kJ/m 2 and at the equivalent upper shelf temperature, the heat treated material exhibited 87 kJ/m 2 . The maximum load fracture toughness was found to be linearly proportional to specimen size, and only specimens which failed to meet ASTM size criteria exhibited maximum load toughness less than J/sub Ic/

Crystalline behaviour and electrical properties of manganese perovskites substituted on A or B sites: ErMnO₃ modified by Ca and EuMnO₃ modified by Co

Directory of Open Access Journals (Sweden)

Tartaj, J.

2010-06-01

Full Text Available The structural and electrical features of the manganites solid solutions (Er,CaMnO₃ and Eu(Co,MnO₃, have been studied by X-ray diffraction and conductivity measurements. Powders were prepared by solid-state reaction between the component oxides and Calcium carbonate. Incorporation of Co²⁺ on the lattice in the B sites or the Ca²⁺ on the A sites leads to changes in the parameters and symmetry of the perovskite compound EuMnO₃ and hexagonal ErMnO₃ respectively. The phase transition depends on the amount of substituted Jahn-Teller Mn³⁺ cations. Solid solutions based on Eu(Mn,CoO₃ perovskite compound change from O’-type to O-type orthorhombic perovskite symmetry when the Mn³⁺ cation amount decreases, because of the progressive substitution by Co. This transition occurs for an amount of Co²⁺ as low as ~10 at% Co²⁺ cation. The (Er,CaMnO₃ based solid solutions showed a different behaviour. From x=0.25 there is a change in the symmetry of the solid solution from hexagonal to orthorhombic, O’-type perovskite. Steric influence seems to play a secondary role on the lattice distortion of manganites. Sintered samples of the perovskite solid solutions were measured for establishing their electrical properties. All the samples showed semiconducting behaviour.

Las características estructurales y eléctricas de las soluciones sólidas de manganitas (Er,CaMnO₃ y Eu(Co,MnO₃, han sido estudiadas por difracción de rayos X y medidas de la conductividad en continua. Los polvos fueron preparados por reacción en estado sólido entre los óxidos componentes y carbonato de calcio. La incorporación de Co²⁺ en la red en los sitios B o de Ca²⁺ en los sitios A conduce a cambios en los parámetros y la simetría de EuMnO₃ perovskita y ErMnO₃ hexagonal, respectivamente

Analysis of the tool plunge in friction stir welding - comparison of aluminium alloys 2024 T3 and 2024 T351

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Veljić Darko

2016-01-01

Full Text Available Temperature, plastic strain and heat generation during the plunge stage of the friction stir welding (FSW of high-strength aluminium alloys 2024 T3 and 2024 T351 are considered in this work. The plunging of the tool into the material is done at different rotating speeds. A three-dimensional finite element (FE model for thermomechanical simulation is developed. It is based on arbitrary Lagrangian-Eulerian formulation, and Johnson-Cook material law is used for modelling of material behaviour. From comparison of the numerical results for alloys 2024 T3 and 2024 T351, it can be seen that the former has more intensive heat generation from the plastic deformation, due to its higher strength. Friction heat generation is only slightly different for the two alloys. Therefore, temperatures in the working plate are higher in the alloy 2024 T3 for the same parameters of the plunge stage. Equivalent plastic strain is higher for 2024 T351 alloy, and the highest values are determined under the tool shoulder and around the tool pin. For the alloy 2024 T3, equivalent plastic strain is the highest in the influence zone of the tool pin. [Projekat Ministarstva nauke Republike Srbije, br. TR 34016 i br. TR 35006

Magnetic and electronic properties of SrMnO3 thin films

Science.gov (United States)

Mandal, Arup Kumar; Panchal, Gyanendra; Choudhary, R. J.; Phase, D. M.

2018-05-01

Single phase hexagonal bulk SrMnO3 (SMO) was prepared by solid state route and it was used for depositing thin films by pulsed laser deposition (PLD) technique on single crystalline (100) oriented SrTiO3 (STO) substrate. X-ray diffraction shows that the thin film is deposited in cubic SrMnO3 phase. From X-ray absorption at the Mn L edge we observed the mixed valency of Mn (Mn3+& Mn4+) due to strain induced by the lattice mismatching between SMO and STO. Due to this mixed valency of Mn ion in SMO film, the ferromagnetic nature is observed at lower temperature because of double exchange. After post annealing with very low oxygen partial pressure, magnetic and electronic property of SMO films are effectively modified.

7 CFR 1210.351 - Books and records.

Science.gov (United States)

2010-01-01

... 7 Agriculture 10 2010-01-01 2010-01-01 false Books and records. 1210.351 Section 1210.351... PROMOTION PLAN Watermelon Research and Promotion Plan Reports, Books, and Records § 1210.351 Books and... make available for inspection by employees of the Board or Secretary, such books and records as are...

9 CFR 351.1 - Meaning of words.

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2010-01-01

... 9 Animals and Animal Products 2 2010-01-01 2010-01-01 false Meaning of words. 351.1 Section 351.1 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE AGENCY... CERTIFICATION CERTIFICATION OF TECHNICAL ANIMAL FATS FOR EXPORT Definitions § 351.1 Meaning of words. Words used...

44 CFR 351.28 - The Department of Commerce.

Science.gov (United States)

2010-10-01

... 44 Emergency Management and Assistance 1 2010-10-01 2010-10-01 false The Department of Commerce. 351.28 Section 351.28 Emergency Management and Assistance FEDERAL EMERGENCY MANAGEMENT AGENCY... Assignments § 351.28 The Department of Commerce. (a) Assist State and local governments in determining their...

Conduction Mechanism by Using CBH Model in Fe3+ and Mn3+ Ion Modified Pb(Zr0.65−xAxTi0.35O3 (A = Mn3+/Fe3+ Ceramics

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Niranjan Sahu

2013-01-01

Full Text Available Polycrystalline samples of manganese and iron substituted lead zirconium titanate (PZT with general formula Pb(Zr0.65−xAxTi0.35O3 (A = Mn3+ and Fe3+ ceramics have been synthesized by high temperature solid state reaction technique. X-ray diffraction (XRD patterns were recorded at room temperature to study the crystal structure. All the patterns could be refined by employing the Rietveld method to R3c space group with rhombohedral symmetry. Microstructural properties of the materials were analyzed by scanning electron microscope (SEM, and compositional analysis was carried out by energy dispersive spectrum (EDS measurements. All the materials exhibit ferroelectric to paraelectric transition. The variation of dielectric constant and loss tangent with temperature and frequency is investigated. The decrease of activation energy and increases of AC conductivity with the Fe3+ or Mn3+ ion concentration have been observed. The AC conductivity has been analyzed by the power law. The frequency exponent with the function of temperature has been analyzed by assuming that the AC conduction mechanism is the correlated barrier hopping (CBH model. The conduction in the present sample is found to be of bipolaron type for Mn3+ ion-doped sample. However, the conduction mechanism could not be explained by CBH model for Fe3+ ion-doped sample.

Incorporation of μ3-CO3 into an MnIII/MnIV Mn12 cluster: {[(cyclam)MnIV(μ-O)2MnIII(H2O)(μ-OH)]6(μ3-CO3)2}Cl8·24H2O

Science.gov (United States)

Levaton, Ben B.; Olmstead, Marilyn M.

2010-01-01

The centrosymmetric title cluster, hexa­aquadi-μ3-carbonato-hexa­cyclamhexa-μ2-hydroxido-dodeca-μ2-oxido-hexa­mang­an­ese(IV)hexa­manganese(III) octa­chloride tetra­cosa­hydrate, [Mn12(CO3)2O12(OH)6(C10H24N4)6(H2O)6]Cl8·24H2O, has two μ3-CO3 groups that not only bridge octahedrally coordinated MnIII ions but also act as acceptors to two different kinds of hydrogen bonds. The carbonate anion is planar within experimental error and has an average C—O distance of 1.294 (4) Å. The crystal packing is stabilized by O—H⋯Cl, O—H⋯O, N—H⋯Cl and N—H⋯O hydrogen bonds. Two of the four independent chloride ions are disordered over five positions, and eight of the 12 independent water mol­ecules are disordered over 21 positions. PMID:21587382

Composites Li2MnO3·LiMn1/3Ni1/3Co1/3O2: Optimized synthesis and applications as advanced high-voltage cathode for batteries working at elevated temperatures

International Nuclear Information System (INIS)

Yu Chuang; Li Guangshe; Guan Xiangfeng; Zheng Jing; Li Liping; Chen Tianwen

2012-01-01

Highlights: ► Composites xLi 2 MnO 3 ·(1 − x)LiMn 1/3 Ni 1/3 Co 1/3 O 2 (x = 0.1–0.4) were prepared by a novel two-step molten-salt route. ► Structure and chemical compositions of the composites were optimized to show an optimum electrochemical property. ► Composite electrode 0.3Li 2 MnO 3 ·0.7LiMn 1/3 Ni 1/3 Co 1/3 O 2 exhibited an excellent electrochemical performance at elevated temperature of 45.4 °C. ► Electrode kinetics of composites was uncovered for the excellent electrochemical performance at elevated temperature. - Abstract: This work reports on the optimized preparation of a series of composites xLi 2 MnO 3 ·(1 − x)LiMn 1/3 Ni 1/3 Co 1/3 O 2 (x = 0.1–0.4) with an aim to find an advanced high-voltage cathode for lithium-ion batteries that can work at elevated temperatures. Developing a two-step molten-salt method leads to composites with a layered-type structure, showing a particle size distribution ranging from 350 to 450 nm. The composites are featured by oxidation states stabilized as Mn 4+ , Ni 2+ , and Co 3+ , and by lattice occupation of Li + in both transition-metal layers and lithium layer of LiMn 1/3 Ni 1/3 Co 1/3 O 2 . When acting as a cathode of lithium-ion batteries, the composite at x = 0.3 shows an optimum electrochemical performance as characterized by a discharge capacity of 120 mAh g −1 at a high current density of 500 mA g −1 and a capacity retention of 64% after 20 cycles. Surprisingly, this electrochemical performance is significantly improved at elevated temperatures. Namely, discharge capacity is increased to 140.4 mAh g −1 at a high current density of 500 mA g −1 , while average capacity decay rate becomes very small to 0.76%. These excellent performance is explained in terms of the dramatically improved lithium-ion diffusions in both electrode and surface films at elevated temperatures.

Structural Variation of LaMnO3+δ by Oxygen Nonstoichiometry

Science.gov (United States)

Niwa, Eiki; Maeda, Hiroki; Hashimoto, Takuya; Mizusaki, Junichiro

2013-07-01

The relationship between oxygen content and crystal structure of LaMnO3+δ, which is mother phase of cathode material for solid oxide fuel cells, has been investigated by X-ray diffraction, thermogravimetry and iodometric titration. It was confirmed that LaMnO3+δ with different oxygen content can be prepared by controlling sintering temperature in static air. Crystal system of LaMnO3.17±0.02 and LaMnO3.13±0.01 at room temperature was rhombohedral with space group of Rbar {3}c, whereas crystal structure of LaMnO3.08±0.01 was orthorhombic whose space group was proposed to be Pmna (No. 53). With increase of oxygen content in LaMnO3+δ, molar volume decreased and higher crystal symmetry was obtained.

Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model.

Science.gov (United States)

Glowacki, David R; Orr-Ewing, Andrew J; Harvey, Jeremy N

2015-07-28

We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD3CN → DF + CD2CN reaction in CD3CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD3CN solvent, equilibrium power spectra of DF in CD3CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol(-1) localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD3CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational relaxation of the nascent DF results in a spectral

Oxidation of substituted alkyl radicals by IrCl62-, Fe(CN)63-, and MnO4- in aqueous solution. Electron transfer versus chlorine transfer from IrCl62-

International Nuclear Information System (INIS)

Steenken, S.; Neta, P.

1982-01-01

Alkyl radicals substituted at C/sub α/ by alkyl, carboxyl, hydroxyl, alkoxyl, and chlorine react in aqueous solutions with Ir/sup IV/Cl 6 2- to yield Ir(III) species. In the case of substitution by hydroxyl and alkoxyl, the rate constants are in the diffusion-controlled range ((4-6) x 10 9 M -1 s -1 ) and the reaction proceeds by electron transfer. In the case of ethyl, methyl, carboxymethyl, and chloromethyl radicals the rate constants range from 3.1 x 10 9 for ethyl to 2.8 x 10 7 M -1 s -1 for trichloromethyl and the reaction proceeds by chlorine transfer from IrCl 6 2- to the alkyl radical. With isopropyl and tert-butyll radicals the reaction proceeds by both electron and chlorine transfer. Alkyl radicals also react with Fe(CN) 6 3- . The rate constants increase strongly with increasing alkylation at C/sub α/ from 5 x 10 6 for methyl to 3.6 x 10 9 M -1 s -1 for tert-butyl, indicating that the transition state for the reaction is highly polar. Rate constants for reaction of MnO 4 - with alkyl radicals are of the order 10 9 M -1 s -1 . 4 figures, 1 table

Mn(ii) mediated degradation of artemisinin based on Fe3O4@MnSiO3-FA nanospheres for cancer therapy in vivo

Science.gov (United States)

Chen, Jian; Zhang, Weijie; Zhang, Min; Guo, Zhen; Wang, Haibao; He, Mengni; Xu, Pengping; Zhou, Jiajia; Liu, Zhenbang; Chen, Qianwang

2015-07-01

Artemisinin (ART) is a natural drug with potent anticancer activities related with Fe2+ mediated cleavage of the endoperoxide bridge in ART. Herein, we reported that Mn2+ could substitute for Fe2+ to react with ART and generate toxic products, inducing a much higher anticancer efficiency. On this basis, we prepared pH-responsive Fe3O4@MnSiO3-FA nanospheres which can efficiently deliver hydrophobic ART into tumors in mice models. Mn2+ was released in acidic tumor environments and intracellular lysosomes, interacting with ART to kill cancer cells. The ART-loaded nanocarriers could suppress tumor growth more efficiently than free ART, which could be further illustrated by magnetic resonance imaging (MRI). Histological analysis revealed that the drug delivery system had no obvious effect on the major organs of mice. ART has been reported to have lower toxicity than chemotherapeutics. The ART-loaded nanocarriers are promising to be used in improving the survival of chemotherapy patients, providing a novel method for clinical tumor therapy.Artemisinin (ART) is a natural drug with potent anticancer activities related with Fe2+ mediated cleavage of the endoperoxide bridge in ART. Herein, we reported that Mn2+ could substitute for Fe2+ to react with ART and generate toxic products, inducing a much higher anticancer efficiency. On this basis, we prepared pH-responsive Fe3O4@MnSiO3-FA nanospheres which can efficiently deliver hydrophobic ART into tumors in mice models. Mn2+ was released in acidic tumor environments and intracellular lysosomes, interacting with ART to kill cancer cells. The ART-loaded nanocarriers could suppress tumor growth more efficiently than free ART, which could be further illustrated by magnetic resonance imaging (MRI). Histological analysis revealed that the drug delivery system had no obvious effect on the major organs of mice. ART has been reported to have lower toxicity than chemotherapeutics. The ART-loaded nanocarriers are promising to be used in

7 CFR 1207.351 - Books and records.

Science.gov (United States)

2010-01-01

... 7 Agriculture 10 2010-01-01 2010-01-01 false Books and records. 1207.351 Section 1207.351... PLAN Potato Research and Promotion Plan Reports, Books, and Records § 1207.351 Books and records. Each... employees of the Board and the Secretary such books and records as are appropriate and necessary to carry...

Magnetic field effects on electric behavior of [Fe(CN6]3− at bare and membrane-coated electrodes

Directory of Open Access Journals (Sweden)

Govindachetty Saravanan, Katsuhiko Fujio and Sumio Ozeki

2008-01-01

Full Text Available The cyclic voltammetric behavior of [Fe(CN6]3− was investigated under homogeneous magnetic fields perpendicular to the electrode surface in order to determine the effects of magnetic fields on the distribution of an Fe2+/Fe3+ redox couple. The cathodic current was enhanced much more than the anodic current by a homogeneous magnetic field, suggesting that the concentration gradient of paramagnetic [Fe(CN6]3− and diamagnetic [Fe(CN6]4− formed at an electrode surface may also contribute to the asymmetric current. The apparent diffusion coefficient of the redox couple increased by over 30% in both cathodic and anodic processes upon applying a magnetic field. For a gold electrode coated with dioctadecyldimethylammonium, the application of a magnetic field perpendicular to the surface increased the peak-to-peak separation, and enhanced the asymmetric current. It is inferred that the application of a magnetic field promotes the electron-tunneling process by tilting chain molecules in the barrier membrane.

44 CFR 351.25 - The Department of Transportation.

Science.gov (United States)

2010-10-01

... Transportation. 351.25 Section 351.25 Emergency Management and Assistance FEDERAL EMERGENCY MANAGEMENT AGENCY... Assignments § 351.25 The Department of Transportation. (a) Assist FEMA, along with NRC, in the preparation and promulgation of guidance to State and local governments for their use in developing the transportation portions...

Effect of Ce addition on microstructure of Al20Cu2Mn3 twin phase in an Al–Cu–Mn casting alloy

International Nuclear Information System (INIS)

Chen Zhongwei; Chen Pei; Li Shishun

2012-01-01

Highlights: ► Rare earth element Ce can retard the formation of the Al 20 Cu 2 Mn 3 twin phase in an Al–Cu–Mn casting alloy. ► Patterns of the particles of the Al 20 Cu 2 Mn 3 phase in Al–Cu–Mn free Ce alloy are more diverse. ► The symmetry of neighboring components of twins is characterized by glide reflection and reflection. ► The twins of Al 20 Cu 2 Mn 3 phase can enhance the mechanical properties of the Al–Cu–Mn casting alloys. - Abstract: Effects of Ce addition on microstructure of Al 20 Cu 2 Mn 3 twin phase and mechanical properties of an Al–Cu–Mn casting alloy were investigated by transmission electron microscopy, selected area electron diffraction, high resolution transmission electron microscopy and tensile test. The results show that rare earth element Ce can retard the formation of the Al 20 Cu 2 Mn 3 phase in the Al–Cu–Mn alloy. Compared with the Ce containing alloy, patterns of particles of the Al 20 Cu 2 Mn 3 phase in the Al–Cu–Mn free Ce alloy are more diverse. The symmetry of neighboring components of twins is characterized by glide reflection and reflection. In addition, twins of the Al 20 Cu 2 Mn 3 phase can enhance the mechanical properties of the Al–Cu–Mn alloy.

La{sub 0,7}Sr{sub 0,3}MnO{sub 3} thin layers on SrTiO{sub 3}(001) substrate. Structure and Mn valence; La{sub 0,7}Sr{sub 0,3}MnO{sub 3}-Duennschichten auf SrTiO{sub 3}(001)-Substrat. Struktur und Mn-Wertigkeit

Energy Technology Data Exchange (ETDEWEB)

Riedl, Thomas

2007-07-01

This thesis presents a highly spatially resolved characterization of crystal structure and Mn valence by pictures drawn in the TEM and electron-energy-loss ionization edges. The Mn valence determined for the internal od the studied LSMO layers agrees with the nomial value of 3.3, while on some LSMO/STO interfaces between substrate and layers as well as between multilayers a reduction by 0.1..0.2 is to be observed. Furthermore the influence of the interface manifests in the occurence of a shoulder on the side of lower energy loss of the Mn L3 edge. The geometrical phase analysis of HRTEM pictures and TEM bright-field pictures prove a tetragonal strain of th LSMO layer crystals, which consist of needle-shaped twin domains. From highly resolved scanning TEM pictures by electrons scattered under large angle results that the LSMO/STO interface exhibit a coherent lattice structure accidentally provided with elementary-cell stages. Especially the stages (single- or multi-stages) mediate the wavy structure of the LSMO/STO interlayers. Finally it is shown that at low thicknes of the TEM lamella the expected crystal-plane inclination exceeds the expected crystal-plane inclination of the twins. [German] Diese Arbeit stellt eine hoch ortsaufgeloeste Charakterisierung von Kristallstruktur und Mn-Wertigkeit mit im TEM aufgezeichneten Abbildungen und Elektronen-Energieverlust-Ionisationskanten vor. Die fuer das Innere der untersuchten LSMO-Schichten ermittelte Mn-Wertigkeit stimmt mit dem nominalen Wert von 3,3 ueberein, wohingegen an manchen LSMO/STO-Grenzflaechen zwischen Substrat und Schicht sowie zwischen den Schichten von Multilagen eine Reduktion um 0,1...0,2 zu beobachten ist. Weiterhin aeussert sich der Einfluss der Grenzflaeche in dem Auftreten einer Schulter an der Flanke geringeren Energieverlusts der Mn-L3-Kante. Die geometrische Phasenanalyse von HRTEM-Aufnahmen und TEM-Hellfeldaufnahmen belegen eine tetragonale Verzerrung des LSMO-Schichtkristalls, der aus

Functional Carbon Nanotube/Mesoporous Carbon/MnO2 Hybrid Network for High-Performance Supercapacitors

Directory of Open Access Journals (Sweden)

Tao Tao

2014-01-01

Full Text Available A functional carbon nanotube/mesoporous carbon/MnO2 hybrid network has been developed successfully through a facile route. The resulting composites exhibited a high specific capacitance of 351 F/g at 1 A g−1, with intriguing charge/discharge rate performance and cycling stability due to a synergistic combination of large surface area and excellent electron-transport capabilities of MnO2 with the good conductivity of the carbon nanotube/mesoporous carbon networks. Such composite shows great potential to be used as electrodes for supercapacitors.

SCS-CN parameter determination using rainfall-runoff data in heterogeneous watersheds. The two-CN system approach

Science.gov (United States)

Soulis, K. X.; Valiantzas, J. D.

2011-10-01

The Soil Conservation Service Curve Number (SCS-CN) approach is widely used as a simple method for predicting direct runoff volume for a given rainfall event. The CN values can be estimated by being selected from tables. However, it is more accurate to estimate the CN value from measured rainfall-runoff data (assumed available) in a watershed. Previous researchers indicated that the CN values calculated from measured rainfall-runoff data vary systematically with the rainfall depth. They suggested the determination of a single asymptotic CN value observed for very high rainfall depths to characterize the watersheds' runoff response. In this paper, the novel hypothesis that the observed correlation between the calculated CN value and the rainfall depth in a watershed reflects the effect of the inevitable presence of soil-cover complex spatial variability along watersheds is being tested. Based on this hypothesis, the simplified concept of a two-CN heterogeneous system is introduced to model the observed CN-rainfall variation by reducing the CN spatial variability into two classes. The behavior of the CN-rainfall function produced by the proposed two-CN system concept is approached theoretically, it is analyzed systematically, and it is found to be similar to the variation observed in natural watersheds. Synthetic data tests, natural watersheds examples, and detailed study of two natural experimental watersheds with known spatial heterogeneity characteristics were used to evaluate the method. The results indicate that the determination of CN values from rainfall runoff data using the proposed two-CN system approach provides reasonable accuracy and it over performs the previous original method based on the determination of a single asymptotic CN value. Although the suggested method increases the number of unknown parameters to three (instead of one), a clear physical reasoning for them is presented.

Superconductivity at 2.8 K and 1.5 kbar in κ-(BEDT-TTF)2Cu2(CN)3: The first organic superconductor containing a polymeric copper cyanide anion

International Nuclear Information System (INIS)

Geiser, Urs; Wang Hau, H.; Carlson, K.D.; Williams, J.M.; Charlier, H.A. Jr.; Heindl, J.E.; Yaconi, G.A.; Love, B.J.; Lathrop, M.W.; Schirber, J.E.; Overmyer, D.L.; Ren, Jingquing; Whangbo, Myung-Hwan

1991-01-01

Attempts to synthesize new k-phase superconductors have concentrated on ET salts with complex anions composed of Cu(I) or Ag(I) metal ions and pseudohalide anions. The 'targeted anion approach', by use of a preformed anion found in KCu 2 (CN) 3 .H 2 O and the presence of trace amounts of water, led to the discovery of the first copper-cyanide containing superconductor, K-(ET) 2 Cu 2 (CN) 3 . The crystal structure, superconducting properties, and band electronic structure are described in this article. The complex k-(ET) 2 Cu 2 (CN) 3 is in many ways similar to the superconductor K-(ET) 2 Cu[N(CN) 2 ]Cl, the superconductor with the highest T c reported to date. 28 refs., 3 figs

SCS-CN parameter determination using rainfall-runoff data in heterogeneous watersheds - the two-CN system approach

Science.gov (United States)

Soulis, K. X.; Valiantzas, J. D.

2012-03-01

The Soil Conservation Service Curve Number (SCS-CN) approach is widely used as a simple method for predicting direct runoff volume for a given rainfall event. The CN parameter values corresponding to various soil, land cover, and land management conditions can be selected from tables, but it is preferable to estimate the CN value from measured rainfall-runoff data if available. However, previous researchers indicated that the CN values calculated from measured rainfall-runoff data vary systematically with the rainfall depth. Hence, they suggested the determination of a single asymptotic CN value observed for very high rainfall depths to characterize the watersheds' runoff response. In this paper, the hypothesis that the observed correlation between the calculated CN value and the rainfall depth in a watershed reflects the effect of soils and land cover spatial variability on its hydrologic response is being tested. Based on this hypothesis, the simplified concept of a two-CN heterogeneous system is introduced to model the observed CN-rainfall variation by reducing the CN spatial variability into two classes. The behaviour of the CN-rainfall function produced by the simplified two-CN system is approached theoretically, it is analysed systematically, and it is found to be similar to the variation observed in natural watersheds. Synthetic data tests, natural watersheds examples, and detailed study of two natural experimental watersheds with known spatial heterogeneity characteristics were used to evaluate the method. The results indicate that the determination of CN values from rainfall runoff data using the proposed two-CN system approach provides reasonable accuracy and it over performs the previous methods based on the determination of a single asymptotic CN value. Although the suggested method increases the number of unknown parameters to three (instead of one), a clear physical reasoning for them is presented.

Magnetotransport of CaCu3Mn4O12 complex perovskite derivatives

International Nuclear Information System (INIS)

Sanchez-Benitez, J.; Andres, A. de; Garcia-Hernandez, M.; Alonso, J.A.; Martinez-Lope, M.J.

2006-01-01

Neutron powder diffraction, magnetic and magnetotransport studies were carried out on new derivatives of the CaCu 3 Mn 4 O 12 (A'A 3 B 4 O 12 ) complex perovskite. The samples were prepared in polycrystalline form under moderate pressure conditions. Substitutions at A and A' sites of CaCu 3 Mn 4 O 12 , with only Mn 4+ and insulating behavior, imply electron doping that affects the magnetic and transport properties. X-ray Absorption Spectroscopy showed that Mn 3+ /Mn 4+ valence mixing occurs only at B site, progressively filling the e g band and providing the metallic character in these compounds, as we observe in most of these samples. A semiconducting behavior is observed in samples with 50% Mn 3+ at B site. This can be understood by the opening of a gap in the conduction band corresponding to the half filling of the e g states. This is the case of the tetravalent rare earth doped samples (Ce and Th at A' site) and of the appropriate A site doped Ca(CuMn 2 )Mn 4 O 12 sample. At the strongly distorted A positions, Mn 3+ , with localized e g electrons, act as magnetic impurities at very low temperatures (<40 K) giving rise to the observed upturn in the resistivity. The magnetic origin of this scattering is evidenced by its drastic reduction under a magnetic field

Spin glass properties of Y0.7Ca0.3MnO3 and Th0.35Ba0.37Ca0.28MnO3

Science.gov (United States)

Sedmidubský, D.; Hejtmánek, J.; Maryško, M.; Jirák, Z.; Hardy, V.; Martin, C.

2002-05-01

Two perovskite manganites with the same nominal concentration of Mn4+ have been studied by the magnetic susceptibility and specific heat measurements: the Y0.7Ca0.3MnO3 single crystal (YCa) with low tolerance factor and negligible ionic radii variance and the Th0.35Ba0.37Ca0.28MnO3 (ThBaCa) ceramics with favorable tolerance factor but huge substitution induced disorder. Both systems were found to possess an insulating ground state with activated conductivity. The ac susceptibility data exhibit a frequency dependent peak at Tsg=32 K for YCa and Tsg=43 K for ThBaCa. The Cole-Cole analysis revealed a sharper than exponential increase of the relaxation time for the former sample while almost linear slowly growing characteristics below Tsg were observed for the latter one. Using the heat capacity curves, the magnetic contribution was separated and magnetic peaks with typical linear on-set tails were obtained. This observation and the abovementioned characteristics are all indicative of spin or cluster glass character. The necessary magnetic frustration is here induced by a considerable tilting of MnO6 octahedra and deformation of Mn-O bonds which occur in a cooperative manner for YCa and locally for ThBaCa.

29 CFR 1926.351 - Arc welding and cutting.

Science.gov (United States)

2010-07-01

... 29 Labor 8 2010-07-01 2010-07-01 false Arc welding and cutting. 1926.351 Section 1926.351 Labor... (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Welding and Cutting § 1926.351 Arc welding and cutting. (a) Manual electrode holders. (1) Only manual electrode holders which are specifically designed...

Investigation of the magnetic structure of KFeCl3, KFeBr3, Rb2MnCl4, and Rb3Mn2Cl7 compounds with magnetic correlations in one and two dimensions

International Nuclear Information System (INIS)

Gurewitz, E.

1976-12-01

The crystallographic structure of KFeCl 3 and KFeBr 3 consists of (FeCl) - octahedra packed in isolated zigzagging chains. These compounds order antiferromagnetically at Tsub(N) approximately 16 deg K and Tsub(N) approximately 9.5 deg K, respectively. Below Tsub(N) the Fe 2+ magnetic moments within a chain are ferromagnetically coupled, parallel to the chain axis, while the chains are coupled antiferromagnetically. In the temperatures Tsub(N) 3 has magnetic correlations within the chains only, whereas the correlations between the chains are negligible. Moessbauer effect measurements at these temperatures show a distinct hyperfine magnetic splitting, characteristic of relaxation phenomena. Cs 2 MnCl 4 , Rb 2 MnCl 4 and Rb 3 Mn 2 Cl 7 belong to the Asub(n+1)Bsub(n)Xsub(3n+1) family of compounds, with the Dsub(4h)sup(17) space group. These compounds order antiferromagnetically at Tsub(N) approximately 55 deg K for Cs 2 MnCl 4 and Rb 2 MnCl 4 , and Tsub(N) approximately 64.5 deg K for Rb 3 Mn 2 Cl 7 . Below Tsub(N) each Mn 2+ moment is along the c-axis and is coupled antiferromagnetically to the moments of its nearest neighbours (nn). These compounds behave like a two-dimensional antiferromagnet at T >= Tsub(N). Neutron scans of the reciprocal space exhibit rods of reflections along c vectorsup(*). The negligible interactions between next nn sets of MnCl 2 layers, a distance c vector apart, yield both in Rb 2 MnCl 4 and in Rb 3 Mn 2 Cl 7 , two distinctive magnetic structures (polytypes) below Tsub(N). (author)

40 CFR 721.10010 - Barium manganese oxide (BaMnO3).

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Barium manganese oxide (BaMnO3). 721... Substances § 721.10010 Barium manganese oxide (BaMnO3). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as barium manganese oxide (BaMnO3) (PMN P-00...

ASTM Standards for Reactor Dosimetry and Pressure Vessel Surveillance

International Nuclear Information System (INIS)

GRIFFIN, PATRICK J.

1999-01-01

The ASTM standards provide guidance and instruction on how to field and interpret reactor dosimetry. They provide a roadmap towards understanding the current ''state-of-the-art'' in reactor dosimetry, as reflected by the technical community. The consensus basis to the ASTM standards assures the user of an unbiased presentation of technical procedures and interpretations of the measurements. Some insight into the types of standards and the way in which they are organized can assist one in using them in an expeditious manner. Two example are presented to help orient new users to the breadth and interrelationship between the ASTM nuclear metrology standards. One example involves the testing of a new ''widget'' to verify the radiation hardness. The second example involves quantifying the radiation damage at a pressure vessel critical weld location through surveillance dosimetry and calculation

Impact of heat treatment on HSS cutting tool (ASTM A600) and its behaviour during machining of mild steel (ASTM A36)

Science.gov (United States)

Afolalu, S. A.; Abioye, O. P.; Salawu, E. Y.; Okokpujie, I. P.; Abioye, A. A.; Omotosho, O. A.; Ajayi., O. O.

2018-04-01

Carburization is one the best heat treatment that responded well to hardening with Palm Kernel Shell giving the best hardness value. This work studied the influence of carburization on HSStool(ASTM A600) and its behaviour during machining of mild steel (ASTM A36). Composition of the samples (12 pieces of 180 × 12 × 12 mm) HSS tools were checked using UV-VIS spectrometer and the tools were carburized with PKS at holding temperatures and time of 800, 850, 900, 950 °C and 60,90 120 minutes using muffle furnance. The micro structural analysis, surface and core hardnessof the treated samples gave better results than the untreated samples when checked withsoft driven and optical microscope. It wasalso observed that increase in the feed rate and depth for length of cut of 50 mm significantly reduces the wear progression and thereby gave best machining time at maximum carburizing temperature and time(950 °C / 120 minutes) when it was used to cut mild steelon the lathe machine.

76 FR 67673 - Welded ASTM A-312 Stainless Steel Pipe From South Korea and Taiwan: Final Results of Expedited...

Science.gov (United States)

2011-11-02

... DEPARTMENT OF COMMERCE International Trade Administration [A-580-810, A-583-815] Welded ASTM A-312... the antidumping duty orders on welded ASTM A-312 stainless steel pipe from South Korea and Taiwan... duty orders on welded ASTM A-312 stainless steel pipe from South Korea and Taiwan pursuant to section...

Induced Ti magnetization at La0.7Sr0.3MnO3 and BaTiO3 interfaces

Directory of Open Access Journals (Sweden)

Yaohua Liu

2016-04-01

Full Text Available In artificial multiferroics hybrids consisting of ferromagnetic La0.7Sr0.3MnO3 (LSMO and ferroelectric BaTiO3 epitaxial layers, net Ti moments are found from polarized resonant soft x-ray reflectivity and absorption. The Ti dichroic reflectivity follows the Mn signal during the magnetization reversal, indicating exchange coupling between the Ti and Mn ions. However, the Ti dichroic reflectivity shows stronger temperature dependence than the Mn dichroic signal. Besides a reduced ferromagnetic exchange coupling in the interfacial LSMO layer, this may also be attributed to a weak Ti-Mn exchange coupling that is insufficient to overcome the thermal energy at elevated temperatures.

76 FR 12370 - Notice Pursuant to the National Cooperative Research and Production Act of 1993-ASTM...

Science.gov (United States)

2011-03-07

... Production Act of 1993--ASTM International Standards Notice is hereby given that, on February 4, 2011... seq. (``the Act''), ASTM International Standards (``ASTM'') has filed written notifications.... Specifically, ASTM has provided an updated list of current, ongoing ASTM standards activities originating...

Electron paramagnetic resonance of K3Rh(CN)6 irradiated with electrons in KCl

International Nuclear Information System (INIS)

Vugman, N.V.

1970-07-01

Using a simple theory, it was estimated the electronic density of the diamagnetic complex Rh (CN) 3- 6 in a KCl lattice. The g// and g1 values were determined by EPR, and the experimental results fit the theoretical calculations. (M.W.O.) [pt

42 CFR 35.1 - Hospital and station rules.

Science.gov (United States)

2010-10-01

... EXAMINATIONS HOSPITAL AND STATION MANAGEMENT General § 35.1 Hospital and station rules. The officer in charge of a station or hospital of the Service is authorized to adopt such rules and issue such instructions... 42 Public Health 1 2010-10-01 2010-10-01 false Hospital and station rules. 35.1 Section 35.1...

78 FR 1884 - Notice Pursuant to the National Cooperative Research and Production Act of 1993-ASTM...

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2013-01-09

... Production Act of 1993--ASTM International Standards Notice is hereby given that, on December 12, 2012... seq. (``the Act''), ASTM International (``ASTM'') has filed written notifications simultaneously with..., ASTM has provided an updated list of current, ongoing ASTM standards activities originating between...

78 FR 35646 - Notice Pursuant to the National Cooperative Research and Production Act of 1993-ASTM...

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2013-06-13

... Production Act of 1993--ASTM International Standards Notice is hereby given that, on May 10, 2013, pursuant... seq. (``the Act''), ASTM International (``ASTM'') has filed written notifications simultaneously with..., ASTM has provided an updated list of current, ongoing ASTM standards activities originating between...

77 FR 34069 - Notice Pursuant to the National Cooperative Research and Production Act of 1993-ASTM...

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2012-06-08

... Production Act of 1993--ASTM International Standards Notice is hereby given that, on May 11, 2012, pursuant... seq. (``the Act''), ASTM International (``ASTM'') has filed written notifications simultaneously with..., ASTM has provided an updated list of current, ongoing ASTM standards activities originating between...

77 FR 61786 - Notice Pursuant to the National Cooperative Research and Production Act of 1993-ASTM...

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2012-10-11

... Production Act of 1993--ASTM International Standards Notice is hereby given that, on September 10, 2012... seq. (``the Act''), ASTM International (``ASTM'') has filed written notifications simultaneously with..., ASTM has provided an updated list of current, ongoing ASTM standards activities originating between May...

78 FR 64248 - Notice Pursuant to the National Cooperative Research and Production Act of 1993-ASTM...

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2013-10-28

... Production Act of 1993--ASTM International Standards Notice is hereby given that, on September 16, 2013... seq. (``the Act''), ASTM International (``ASTM'') has filed written notifications simultaneously with..., ASTM has provided an updated list of current, ongoing ASTM standards activities originating between May...

76 FR 34252 - Notice Pursuant to the National Cooperative Research and Production Act of 1993; ASTM...

Science.gov (United States)

2011-06-13

... Production Act of 1993; ASTM International Standards Notice is hereby given that, on May 11, 2011, pursuant... seq. (``the Act''), ASTM International Standards (``ASTM'') has filed written notifications.... Specifically, ASTM has provided an updated list of current, ongoing ASTM standards activities originating...

78 FR 14836 - Notice Pursuant to the National Cooperative Research and Production Act of 1993-ASTM...

Science.gov (United States)

2013-03-07

... Production Act of 1993--ASTM International Standards Notice is hereby given that, on February 11, 2013... seq. (``the Act''), ASTM International (``ASTM'') has filed written notifications simultaneously with..., ASTM has provided an updated list of current, ongoing ASTM standards activities originating between...

X-ray structural study of Nd[N(CN)2]3x2OP(NMe2)3

International Nuclear Information System (INIS)

Kapshuk, A.A.; Skopenko, V.V.

1985-01-01

The results of X-ray structure study of Nd(N(CN) 2 ) 3 x2OP(NMe) 2 ) 3 are presented. The crystals are monoclinic: a=12,787(6), b=17.731(9), c=15.302(5) A, γ=114.84(3) deg, Z=4, sp.gr. p2 1 /n. The structure is formed of infinite corrugated netting consisting of neodymium atoms, coordinating two OP(NMe 2 ) 3 molecules, and three bidentate-bridge dicyanamide groups. Neodymium coordination number is 8, coordination polyhedron is a distorted twocapped trigonal prism. Certain aspects of crystal chemistry of dicyanamide complexes are discussed

1D and 3D Polymeric Manganese(II) Thiolato Complexes: Synthesis, Structure, and Properties of    ∞3[Mn4(SPh)8] and ∞1[Mn(SMes)2].

Science.gov (United States)

Eichhöfer, Andreas; Lebedkin, Sergei

2018-01-16

Reactions of [Mn{N(SiMe 3 ) 2 } 2 ] 2 with 2.1 equiv of RSH, R = Ph or Mes = C 6 H 2 -2,4,6-(CH 3 ) 3 , yield compounds of the formal composition "Mn(SR) 2 ". Single-crystal X-ray diffraction reveals that ∞ 1 [Mn(SMes) 2 ] forms one-dimensional chains in the crystal via μ 2 -SMes bridges, whereas ∞ 3 [Mn 4 (SPh) 8 ] comprises a three-dimensional network in which adamantanoid cages composed of four Mn atoms and six μ 2 -bridging SPh ligands are connected in three dimensions by doubly bridging SPh ligands. Thermogravimetric analysis and powder diffractometry indicate an reversible uptake of solvent molecules (tetrahydrofuran) into the channels of ∞ 1 [Mn(SMes) 2 ]. Magnetic measurements reveal antiferromagnetic coupling for both compounds with J = -8.2 cm -1 ( ∞ 1 [Mn(SMes) 2 ]) and -10.0 cm -1 ( ∞ 3 [Mn 4 (SPh) 8 ]), respectively. Their optical absorption and photoluminescence (PL) excitation spectra display characteristic d-d bands of Mn 2+ ions in the visible spectral region. Both compounds emit bright phosphorescence at ∼800 nm at low temperatures (SMes) 2 ] retains a moderately intense emission at ambient temperature (with a quantum yield of 1.2%). Similar PL properties are also found for the related selenolate complexes ∞ 1 [Mn(SeR) 2 ] (R = Ph, Mes).

Thermodynamic properties of multiferroic Mg doped YbMnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Sattibabu, Bhumireddi, E-mail: bsb.satti@gmail.com [School of Engineering Sciences and Technology, University of Hyderabad, Hyderabad 500046 (India); Bhatnagar, A.K., E-mail: anilb42@gmail.com [School of Engineering Sciences and Technology, University of Hyderabad, Hyderabad 500046 (India); School of Physics, University of Hyderabad, Hyderabad 500046 (India); Samatham, S. Shanmukharao; Singh, D. [Low Temperature Laboratory, UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452001, M.P. (India); Rayaprol, S. [UGC-DAE Consortium for Scientific Research, Mumbai Centre, BARC Campus, Mumbai 400085 (India); Das, D. [School of Engineering Sciences and Technology, University of Hyderabad, Hyderabad 500046 (India); Siruguri, V. [UGC-DAE Consortium for Scientific Research, Mumbai Centre, BARC Campus, Mumbai 400085 (India); Ganesan, V. [Low Temperature Laboratory, UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452001, M.P. (India)

2015-09-25

Highlights: • Specific heat data shows that T{sub N} increases for Mg doped YbMnO{sub 3} from 83 K to 86 K. • Yb{sub 1−x}Mg{sub x}MnO{sub 3} (x = 0.0 and 0.05) shows multiple magnetic transitions. • RCP are found to be 26.1 J/mol and 27.2 J/mol for YbMnO{sub 3} and Yb{sub 0.95}Mg{sub 0.05}MnO{sub 3}. - Abstract: Calorimetric studies of polycrystalline samples Yb{sub 1−x}Mg{sub x}MnO{sub 3} with x = 0.0 and 0.05 are reported. It is revealed that the Mg doping raises the antiferromagnetic ordering temperature, T{sub N,} from 83 K for x = 0.0 to 86 K for x = 0.05. A ferromagnetic ordering is also observed around 3 K. The broad feature in the specific heat data just above ferromagnetic ordering, is attributed to the Schottky anomaly. The estimated effective molecular fields from the Schottky analysis are H{sub mf} = 3.0 and 3.5 T for YbMnO{sub 3} and Yb{sub 0.95}Mg{sub 0.05}MnO{sub 3}, respectively. High temperature shift of Schottky anomaly with Mg doping indicates increase in effective molecular field of Mn at the Yb 4b site. The data supports that the idea that although molecular field is mainly responsible for the Schottky anomaly in Yb{sub 1−x}Mg{sub x}MnO{sub 3} and Mn{sup 3+} spin ordering also affects it. Magnetic part of the specific heat is obtained by subtracting the lattice contribution estimated using two Debye temperatures. The magnetic entropy change (ΔS{sub mag}) for pure and doped samples are 2.0 J mol{sup −1} K{sup −1} and 2.1 J mol{sup −1} K{sup −1} respectively, while the relative cooling power (RCP) calculate 26.1 J/mol, 27.2 J/mol for a field change of 10 T.

Porous nanocubic Mn3O4-Co3O4 composites and their application as electrochemical supercapacitors.

Science.gov (United States)

Pang, Huan; Deng, Jiawei; Du, Jimin; Li, Sujuan; Li, Juan; Ma, Yahui; Zhang, Jiangshan; Chen, Jing

2012-09-14

A simple approach has been developed to fabricate ideal supercapacitors based on porous Mn(3)O(4)-Co(3)O(4) nanocubic composite electrodes. We can easily obtain porous corner-truncated nanocubic Mn(3)O(4)-Co(3)O(4) composite nanomaterials without any subsequent complicated workup procedure for the removal of a hard template, seed or by using a soft template. In such a composite, the porous Mn(3)O(4)-Co(3)O(4) enables a fast and reversible redox reaction to improve the specific capacitance. The porous nanocubic Mn(3)O(4)-Co(3)O(4) composite electrode can effectively transport electrolytes and shorten the ion diffusion path, which offers excellent electrochemical performance. These results suggest that such porous Mn(3)O(4)-Co(3)O(4) composite nanocubes are very promising for next generation high-performance supercapacitors.

Photoelectrochemical Performance Observed in Mn-Doped BiFeO3 Heterostructured Thin Films

Directory of Open Access Journals (Sweden)

Hao-Min Xu

2016-11-01

Full Text Available Pure BiFeO3 and heterostructured BiFeO3/BiFe0.95Mn0.05O3 (5% Mn-doped BiFeO3 thin films have been prepared by a chemical deposition method. The band structures and photosensitive properties of these films have been investigated elaborately. Pure BiFeO3 films showed stable and strong response to photo illumination (open circuit potential kept −0.18 V, short circuit photocurrent density was −0.023 mA·cm−2. By Mn doping, the energy band positions shifted, resulting in a smaller band gap of BiFe0.95Mn0.05O3 layer and an internal field being built in the BiFeO3/BiFe0.95Mn0.05O3 interface. BiFeO3/BiFe0.95Mn0.05O3 and BiFe0.95Mn0.05O3 thin films demonstrated poor photo activity compared with pure BiFeO3 films, which can be explained by the fact that Mn doping brought in a large amount of defects in the BiFe0.95Mn0.05O3 layers, causing higher carrier combination and correspondingly suppressing the photo response, and this negative influence was more considerable than the positive effects provided by the band modulation.

Structure and bonding of ScCN and ScNC: Ground and low-lying states

International Nuclear Information System (INIS)

Kalemos, Apostolos; Metropoulos, Aristophanes; Mavridis, Aristides

2012-01-01

Graphical abstract: The experimentally unknown systems ScCN and ScNC have been studied through single reference CISD and CCSD(T) methods. A total of 20 = 10 (ScCN) + 10 (ScNC) states were examined. All states are quite ionic whereas ScNC(X ∼3 Δ) is stabler than ScCN(X ∼3 Δ) by ∼5 kcal/mol. Display Omitted Highlights: ► We have studied through ab initio methods the polytopic system Sc[CN]. ► A series of low lying states for both isomeric forms have been examined. ► Around equilibrium the system displays a pronounced Sc + [CN] − ionic character. - Abstract: We have studied the experimentally unknown Sc[CN] molecular system in both its isomeric forms, scandium cyanide (ScCN) and isocyanide (ScNC), through ab initio computations. We report energetics, geometries, harmonic frequencies, and dipole moments for the first 20 Sc[CN] states correlating diabatically to Sc + ( 3 D, 1 D, 3 F) + CN − (X 1 Σ + ). Both isomers have a pronounced ionic character around equilibrium due to the high electron affinity of the CN group and the low ionization energy of the Sc atom. According to our calculations the ScNC isomer (X ∼3 Δ) is stabler than the ScCN(X ∼3 Δ) by ∼5 kcal/mol.

La0,7Sr0,3MnO3 thin layers on SrTiO3(001) substrate. Structure and Mn valence

International Nuclear Information System (INIS)

Riedl, Thomas

2007-01-01

This thesis presents a highly spatially resolved characterization of crystal structure and Mn valence by pictures drawn in the TEM and electron-energy-loss ionization edges. The Mn valence determined for the internal od the studied LSMO layers agrees with the nomial value of 3.3, while on some LSMO/STO interfaces between substrate and layers as well as between multilayers a reduction by 0.1..0.2 is to be observed. Furthermore the influence of the interface manifests in the occurence of a shoulder on the side of lower energy loss of the Mn L3 edge. The geometrical phase analysis of HRTEM pictures and TEM bright-field pictures prove a tetragonal strain of th LSMO layer crystals, which consist of needle-shaped twin domains. From highly resolved scanning TEM pictures by electrons scattered under large angle results that the LSMO/STO interface exhibit a coherent lattice structure accidentally provided with elementary-cell stages. Especially the stages (single- or multi-stages) mediate the wavy structure of the LSMO/STO interlayers. Finally it is shown that at low thicknes of the TEM lamella the expected crystal-plane inclination exceeds the expected crystal-plane inclination of the twins [de

The Nd-Mn exchange interaction, low temperature specific heat and magnetism of Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Beznosov, Anatoly [B. Verkin Institute for Low Temperature Physics and Engineering NASU, 47 Lenin Avenue, Kharkov 61103 (Ukraine); Fertman, Elena, E-mail: fertman@ilt.kharkov.ua [B. Verkin Institute for Low Temperature Physics and Engineering NASU, 47 Lenin Avenue, Kharkov 61103 (Ukraine); Desnenko, Vladimir [B. Verkin Institute for Low Temperature Physics and Engineering NASU, 47 Lenin Avenue, Kharkov 61103 (Ukraine); Kajnakova, Marcela; Feher, Alexander [Centre of Low Temperature Physics of the Faculty of Science UPJS and IEP SAS, Park Angelinum 9, 04154 Kosice (Slovakia)

2011-10-15

The low temperature specific heat and magnetic characteristics of Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3} perovskite are studied in a wide range of magnetic fields (up to 9 T). Temperature dependent specific heat data show a broadened Schottky-like anomaly below 20 K caused by splitting of the Nd{sup 3+} ions ground-state doublet in the effective molecular field H{sub ex}, determined by exchange interaction between Nd and Mn spin systems supplemented by an applied external magnetic field. Existence of the splitting at zero magnetic field and expressed field dependence is the evidence of a strong exchange coupling between Nd and Mn magnetic subsystems. The Nd-ions magnetic ordering leads to an additional contribution to the magnetic moment of the system below 30 K, producing anomalies of the magnetic loss and field-cooled and zero-field-cooled magnetizations. The observed broadened Schottky-like anomalies are fitted for each applied magnetic field by the sum of three Schottky functions. Applied magnetic field extends the anomaly region and shifts it to higher temperatures. Splitting of the higher crystal field Kramers doublets gives an additional contribution to the heat capacity in magnetic fields. The ground state doublet g-factors g{sub ||} and g{sub perpendicular} were estimated to be 3.4 and 2.2, respectively, and H{sub ex} was estimated to be 9 T. The Nd{sup 3+} ions magnetic moment estimated from the magnetization data agrees with the value obtained from the specific heat data. - Highlights: > Low temperature specific heat of Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3} has been measured in magnetic fields up to 9 T. > Schottky-like anomalies are fitted for each magnetic field by a sum of three Schottky functions. > An effective magnetic field of the Mn spin system on Nd ion has been estimated as H{sub ex}=9 T. > Nd{sup 3+} ground-state g-factors have been estimated as g{sub ||}=3.4 and g{sub perpendicular} =2.2. > Magnetic ordering of the Nd subsystem has been revealed below

High-resolution photoemission study of Nd1-xSrxMnO3

International Nuclear Information System (INIS)

Fujiwara, H.; Sekiyama, A.; Higashiya, A.; Konoike, K.; Tsunekawa, M.; Yamasaki, A.; Irizawa, A.; Imada, S.; Muro, T.; Noda, K.; Kuwahara, H.; Tokura, Y.; Suga, S.

2005-01-01

We have performed the bulk sensitive Mn 2p-3d resonant photoemission for Nd 1-x Sr x MnO 3 (x=0.40, 0.47, 0.50, 0.63) in order to reveal the Mn 3d electronic states. We will report the temperature and doping dependence of the Mn 3d spectral functions. The sudden spectral change for x=0.50 across the FM-COI transition shows the strong influence of the charge-ordering on the Mn 3d electronic states

Molecules based on M(v) (M=Mo, W) and Ni(II) ions: a new class of trigonal bipyramidal cluster and confirmation of SMM behavior for the pentadecanuclear molecule {NiII[NiII(tmphen)(MeOH)]6[Ni(H2O)3]2[micro-CN]30[WV(CN)3]6}.

Science.gov (United States)

Hilfiger, Matthew G; Zhao, Hanhua; Prosvirin, Andrey; Wernsdorfer, Wolfgang; Dunbar, Kim R

2009-07-14

The preparation, single crystal X-ray crystallography, and magnetic properties are reported for four new clusters based on [M'V(CN)8]3- octacyanometallates (M'=Mo, W). Reactions of [M'V(CN)8]3- with mononuclear NiII ions in the presence of the tmphen blocking ligand (tmphen=3,4,7,8-tetramethyl-1,10-phenanthroline) in a 2:3:6 ratio, respectively, lead to the formation of the trigonal bipyramidal clusters [NiII(tmphen)2]3[M'V(CN)8]2. Analogous reactions with the same starting materials performed in a 2:3:2 ratio, respectively, produce pentadecanuclear clusters of the type {NiII[NiII(tmphen)(MeOH)]6[Ni(H2O)3]2[micro-CN]30[WV(CN)3]6}. The W2Ni3 (1) and Mo2Ni3(2) pentanuclear clusters and the W6Ni9 (3) and Mo6Ni9 (4) pentadecanuclear molecules are isostructural to each other and crystallize in the space groups P2(1)/c and R3 respectively. Magnetic measurements indicate that the ground states for the trigonal bipyamidal clusters are S=4 as a consequence of ferromagnetic coupling with JW-Ni=9.5 cm(-1), JMo-Ni=10 cm(-1). The pentadecanuclear clusters exhibit ferromagnetic coupling as well, which leads to S=12 ground states (JW-Ni=12 cm(-1), JMo-Ni=12.2 cm(-1)). Reduced magnetization studies on the W-Ni analogues support the conclusion that they exhibit a negative axial anisotropy term; the fits give D values of -0.24 cm(-1) for the W2Ni3 cluster and D=-0.04 cm(-1)for the W6Ni9 cluster. AC susceptibility measurements indicate the beginning of an out-of-phase signal for the W2Ni3 and the W6Ni9 compounds, but detailed low temperature studies on small crystals by the microSQUID technique indicate that only the pentadecanuclear cluster exhibits hysteresis in accord with SMM behavior. Neither Mo cluster reveals any evidence for slow paramagnetic relaxation at low temperatures.

Oxidative and antibacterial activity of Mn{sub 3}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Chowdhury, Al-Nakib, E-mail: nakib@chem.buet.ac.bd [Department of Chemistry, Bangladesh University of Engineering and Technology, Dhaka-1000 (Bangladesh); Azam, Md. Shafiul, E-mail: azam@ualberta.ca [Department of Chemistry, Bangladesh University of Engineering and Technology, Dhaka-1000 (Bangladesh); Aktaruzzaman, Md.; Rahim, Abdur [Department of Chemistry, Bangladesh University of Engineering and Technology, Dhaka-1000 (Bangladesh)

2009-12-30

Mn{sub 3}O{sub 4} nanoparticles with diameter ca. 10 nm were synthesized by the forced hydrolysis of Mn(II) acetate at 80 deg. C. The X-ray diffraction (XRD), Fourier transform infra red (FT-IR) spectroscopy, scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) techniques were employed to study structural features and chemical composition of the nanoparticles. The unique oxidative activity of the Mn{sub 3}O{sub 4} nanoparticles was demonstrated in the polymerization and dye degradation reactions. On adding Mn{sub 3}O{sub 4} suspension to an acidic solution of aniline, yielded immediately green sediment of polyaniline (PANI). The organic dyes, viz., methylene blue (MB) and procion red (PR) were found to be completely decolorized from their aqueous solution on treating the dyes with Mn{sub 3}O{sub 4} suspension in acidic media. The Mn{sub 3}O{sub 4} nanoparticles also showed a clear antibacterial activity against the Vibrio cholerae, Shigella sp., Salmonella sp., and Escherichi coli bacteria that cause cholera, dysentery, typhoid, and diarrhea diseases, respectively.

Annual Book of ASTM Standards, Part 23: Water; Atmospheric Analysis.

Science.gov (United States)

American Society for Testing and Materials, Philadelphia, PA.

Standards for water and atmospheric analysis are compiled in this segment, Part 23, of the American Society for Testing and Materials (ASTM) annual book of standards. It contains all current formally approved ASTM standard and tentative test methods, definitions, recommended practices, proposed methods, classifications, and specifications. One…

High resolution photoemission study of Nd1-xSrxMnO3

International Nuclear Information System (INIS)

Togashi, T.; Osawa, H.; Shin, S.; Tanaka, K.; Isozumi, Y.; Iwazumi, T.; Nozawa, S.

2004-01-01

Full text:Nd 1-x SrxMnO 3 shows the negative colossal magnetoresistance and various electronic phases. In order to reveal their states, we have performed a high- resolution Mn 2p-3d resonance photoemission (RPES) study of Nd 1-x SrxMnO 3 with an energy resolution of 100 meV at BL25SU in SPring-8. Figure 1 shows the Mn 2p-3d RPES spectra of Nd 1-x SrxMnO 3 . It is found that the spectral line shape in the ground-state phases (GS) at low temperatures is closely related to the shape of MnO 6 octahedra depending on x due to a static Jahn- Teller (JT) effect while the line shape in the paramagnetic insulator (PI) phase near room temperature is qualitatively similar to each other irrespective of x. These results strongly suggest that the dynamical and static JT effects are responsible for the 3d electronic states at high and low temperatures, respectively

Millimeter/submillimeter Spectroscopy of PH2CN ({\\tilde{X}} 1A') and CH3PH2 ({\\tilde{X}} 1A'): Probing the Complexity of Interstellar Phosphorus Chemistry

Science.gov (United States)

Halfen, D. T.; Clouthier, D. J.; Ziurys, L. M.

2014-11-01

Millimeter/submillimeter spectra of PH2CN ({\\tilde{X}} 1A') and CH3PH2 ({\\tilde{X}} 1A') have been recorded for the first time using direct absorption techniques. This work extends previous measurements of both molecules beyond the 10-50 GHz range. Both species were created in the presence of an AC discharge by the reaction of phosphorus vapor and either cyanogen and hydrogen (PH2CN) or methane (CH3PH2). Twelve rotational transitions of PH2CN were recorded over the region 305-422 GHz for asymmetry components Ka = 0 through 8. For CH3PH2, eight rotational transitions were measured from 210-470 GHz with Ka = 0 through 16; these spectra exhibited greater complexity due to the presence of internal rotation, which splits the Ka = 1, 2, and 3 asymmetry components into A and E states. Combined analyses of the millimeter/submillimeter and previous microwave data were performed for both molecules. For PH2CN, the spectra were fit with a Watson S-reduced asymmetric top Hamiltonian, resulting in more accurate rotational and centrifugal distortion constants. In the case of CH3PH2, an asymmetric top internal-rotation Hamiltonian was employed in the analysis, significantly improving the rotational and torsional parameters over previous microwave estimates. Searches for both molecules were subsequently conducted toward Sgr B2(N), using the 12 m telescope of the Arizona Radio Observatory (ARO). Neither species was identified, with abundance upper limits, relative to H2, of f (PH2CN/H2) PH2/H2) 2 and >200, respectively.

Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD{sub 3}CN treated with a parallel multi-state EVB model

Energy Technology Data Exchange (ETDEWEB)

Glowacki, David R., E-mail: drglowacki@gmail.com [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Department of Computer Science, University of Bristol, Bristol BS8 1UB (United Kingdom); PULSE Institute and Department of Chemistry, Stanford University, Stanford, California 94305 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Orr-Ewing, Andrew J. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Harvey, Jeremy N. [Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Heverlee (Belgium)

2015-07-28

We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD{sub 3}CN → DF + CD{sub 2}CN reaction in CD{sub 3}CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD{sub 3}CN solvent, equilibrium power spectra of DF in CD{sub 3}CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol{sup −1} localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD{sub 3}CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational

Stress relaxation of La1/2Sr1/2MnO3 and La2/3Ca1/3MnO3 at solid oxide fuel cell interfaces

International Nuclear Information System (INIS)

Lussier, A.; Dvorak, J.; Stadler, S.; Holroyd, J.; Liberati, M.; Arenholz, E.; Ogale, S.B.; Wu, T.; Venkatesan, T.; Idzerda, Y.U.

2008-01-01

Interfacial stress is thought to have significant effects on electrical and oxygen transport properties in thin films of importance in solid oxide fuel cell applications. We investigate how in-plane biaxial stress modifies the electronic structure of La 2/3 Ca 1/3 MnO 3 and La 1/2 Sr 1/2 MnO 3 thin films prepared by pulsed laser deposition on three different substrates to vary the in-plane stress from tensile to compressive. The electronic structure was probed by X-ray absorption spectroscopy of the Mn L 2,3 -edge to characterize the interfacial disruption in this region in an element-specific, site-specific manner. The compressive or tensile interfacial strain modifies the relative concentrations of La and Sr in the interfacial region in order to achieve a better lattice match to the contact material. This atomic migration generates an interfacial region dominated by a compound with a single valency for the transition metal ion, resulting in a severe barrier to oxygen and electron transport through this region

SCS-CN parameter determination using rainfall-runoff data in heterogeneous watersheds – the two-CN system approach

Directory of Open Access Journals (Sweden)

J. D. Valiantzas

2012-03-01

Full Text Available The Soil Conservation Service Curve Number (SCS-CN approach is widely used as a simple method for predicting direct runoff volume for a given rainfall event. The CN parameter values corresponding to various soil, land cover, and land management conditions can be selected from tables, but it is preferable to estimate the CN value from measured rainfall-runoff data if available. However, previous researchers indicated that the CN values calculated from measured rainfall-runoff data vary systematically with the rainfall depth. Hence, they suggested the determination of a single asymptotic CN value observed for very high rainfall depths to characterize the watersheds' runoff response. In this paper, the hypothesis that the observed correlation between the calculated CN value and the rainfall depth in a watershed reflects the effect of soils and land cover spatial variability on its hydrologic response is being tested. Based on this hypothesis, the simplified concept of a two-CN heterogeneous system is introduced to model the observed CN-rainfall variation by reducing the CN spatial variability into two classes. The behaviour of the CN-rainfall function produced by the simplified two-CN system is approached theoretically, it is analysed systematically, and it is found to be similar to the variation observed in natural watersheds. Synthetic data tests, natural watersheds examples, and detailed study of two natural experimental watersheds with known spatial heterogeneity characteristics were used to evaluate the method. The results indicate that the determination of CN values from rainfall runoff data using the proposed two-CN system approach provides reasonable accuracy and it over performs the previous methods based on the determination of a single asymptotic CN value. Although the suggested method increases the number of unknown parameters to three (instead of one, a clear physical reasoning for them is presented.

Magnetoresistance Probe of Ultrathin Mn5Ge3 Films with Anderson Weak Localization

International Nuclear Information System (INIS)

Li-Jun, Chen; De-Yong, Wang; Qing-Feng, Zhan; Wei, He; Qing-An, Li

2008-01-01

We present the magnetoresistance measurements of ultrathin Mn 5 Ge 3 films with different thicknesses at low temperatures. Owing to the lattice mismatch between Mn 5 Ge 3 and Ge (111), the thickness of Mn 5 Ge 3 films has a significant effect on the magnetoresistance. When the thickness of Mn is more than 72 monolayers (MLs), the magnetoresistance of the Mn 5 Ge 3 films appears a peak at about 6kOe, which shows that the magnetoresistance results from the Anderson weak localization effect and the variable range hopping in the presence of a magnetic field. The magnetic and semiconducting properties indicate that the Mn 5 Ge 3 film is a potential material for spin injection. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Luminescence properties of CdSiO3:Mn2+ phosphor

International Nuclear Information System (INIS)

Lei Bingfu; Liu Yingliang; Ye Zeren; Shi Chunshan

2004-01-01

A novel long-lasting phosphor CdSiO 3 :Mn 2+ is reported in this paper. The Mn 2+ -doped CdSiO 3 phosphor emits orange light with CIE chromaticity coordinates x=0.5814 and y=0.4139 under 254 nm UV light excitation. In the emission spectrum of 1% Mn 2+ -doped CdSiO 3 phosphor, there is a broad emission band centered at 575 nm which can be attributed to the spin-forbidden transition of the d-orbital electron associated with the Mn 2+ ion. The phosphorescence can be seen by the naked eyes in the dark clearly even after the 254 nm UV irradiation have been removed for about 1 h. The mechanism of the origin of the long-lasting phosphorescence was discussed using the thermoluminescence curves

Crystal structure of the alluaudite Ag{sub 2}Mn{sub 3}(VO{sub 4}){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Yahia, Hamdi Ben; Essehli, Rachid; Belharouak, Ilias [Hamad Bin Khalifa Univ., Doha (Qatar). Qatar Environment and Energy Research Inst.; Shikano, Masahiro [National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka (Japan). Research Inst. of Electrochemical Energy

2016-07-01

The new compound Ag{sub 2}Mn{sub 3}(VO4){sub 3} was synthesized by hydrothermal and solid state reaction routes, and its crystal structure was determined from single-crystal X-ray diffraction data. Ag{sub 2}Mn{sub 3}(VO4){sub 3} crystallizes with a monoclinic symmetry, space group C2/c, with a=11.8968(11) Aa, b=13.2057(13) Aa, c=6.8132(7) Aa, β=111.3166(15) ( ) and V=997.16(17) Aa{sup 3} (Z=4). Its crystal refinement yielded the residual factors R(F)=0.0249 and wR(F{sup 2})=0.0704 for 95 parameters and 1029 independent reflections at a 3σ(I) level. Ag{sub 2}Mn{sub 3}(VO4){sub 3} can be considered as a new member of the AA{sup '}MM{sup '}{sub 2}(XO4){sub 3} alluaudite family. The specific arrangement of M and M{sup '} octahedral sites and of X tetrahedral sites gives rise to two different channels aligned along the crystallographic c-axis and containing the A and A{sup '} sites. The A, A{sup '}, M, and X sites are fully occupied by Ag{sup +}, Mn{sup 2+}, and V{sup 5+}, respectively; whereas a Mn{sup 2+}/Mn{sup 3+} mixture is observed in the M{sup '} site.

Local atomic characterization of LiCo1/3Ni1/3Mn1/3O2 cathode material

International Nuclear Information System (INIS)

Nedoseykina, Tatiana; Kim, Sung-Soo; Nitta, Yoshiaki

2006-01-01

Co, Ni and Mn K-edge XAFS investigation of LiCo 1/3 Ni 1/3 Mn 1/3 O 2 as alternative cathode material to commercially used LiCoO 2 in lithium rechargeable battery has been performed. Parameters of a local atomic structure such as radii of metal-oxygen and metal-metal coordination shells and disorder in those shells have been determined. It has been found that the radius of the first coordination shell (metal-oxygen) as well as a local disorder in the second shell (metal-metal) around each of the 3d-metals are in a good agreement with obtained for superlattice model of √3 x √3] R30 o type in triangular lattice of sites by first principle calculation. Other parameters of the local atomic structure around Co, Ni and Mn atoms do not provide evidence for presence of superstructure in LiCo 1/3 Ni 1/3 Mn 1/3 O 2

Physical Properties of (NH4)2Pt(CN)4[Clo.42].3H2O: A new Quasi-One-Dimensional Conductor

DEFF Research Database (Denmark)

Carneiro, Kim; Petersen, A. S.; Underhill, A. E.

1979-01-01

The quasi-one-dimensional conductor (NH4)2[Pt(CN)4]Cl0.42·3H2O, ACP(Cl), has been studied experimentally by means of electrical conduction measurements, x-ray diffuse scattering, and neutron inelastic scattering. This allows the determination of all the physical parameters of interest for the the......The quasi-one-dimensional conductor (NH4)2[Pt(CN)4]Cl0.42·3H2O, ACP(Cl), has been studied experimentally by means of electrical conduction measurements, x-ray diffuse scattering, and neutron inelastic scattering. This allows the determination of all the physical parameters of interest...

Spectrophotometric determination of the ASTM color of diesel oil

Energy Technology Data Exchange (ETDEWEB)

Douglas Willian Emanuel Alves Santana; Marcelle Prates Sepulveda; Paulo Jorge Sanches Barbeira

2007-03-15

One of the parameters analyzed to determine the quality of diesel oil is its ASTM color. Changes in color may be indicative of problems in the production process, contamination, degradation or the oxidation of diesel. The methodology recommended for determining the color of automotive diesel oil samples is the colorimetry according to standard ASTM D1500, in which a sample is introduced into a glass cell and the color of the sample is compared with an optical filter color scale. Although it is very simple, the manual method requires good visual acuity from the operator. This procedure becomes somewhat subjective in some cases since different operators can make distinct evaluations of the same sample. In this way, this work proposes the development of a spectrophotometric analysis methodology to eliminate the subjectiveness in the determination of ASTM color of diesel oil samples by using operator-independent parameters and making quality assay more accurate and precise. Short communication. 7 refs., 2 figs., 2 tabs.

Highly atom-economic synthesis of graphene/Mn3O4 hybrid composites for electrochemical supercapacitors

Science.gov (United States)

Jiangying, Qu; Feng, Gao; Quan, Zhou; Zhiyu, Wang; Han, Hu; Beibei, Li; Wubo, Wan; Xuzhen, Wang; Jieshan, Qiu

2013-03-01

A highly atom-economic procedure for the preparation of reduced graphene oxide/Mn3O4 (rGO/Mn3O4) composites is reported. Pristine graphene oxide/manganese sulfate (GO/MnSO4) suspension produced by modified Hummers method is utilized with high efficiency, which has been in situ converted into GO/Mn3O4 hybrid composite by air oxidation, then into rGO/Mn3O4 composite by means of dielectric barrier discharge (DBD) plasma-assisted deoxygenation. The Mn3O4 content of the rGO/Mn3O4 composites can be readily tailored. It is observed that Mn3O4 nanoparticles of 15-24 nm are well-dispersed on graphene sheets with Mn3O4 loading as high as 90%. The specific capacitance of the as-prepared rGO/Mn3O4 hybrids with 90% Mn3O4 reaches 193 F g-1 when employed as the electrode material in neutral Na2SO4 electrolyte solutions (76 F g-1 for pristine graphene and 95 F g-1 for pure Mn3O4), which indicates the positive synergetic effects from both graphene and attached Mn3O4. The method developed in this study should offer a new technique for the large scale and highly atom-economic production of graphene/MnOx composites for many applications.

Effects of magnesium substitution on the magnetic properties of Nd0.7Sr0.3MnO3

International Nuclear Information System (INIS)

Tseggai, M.; Mathieu, R.; Nordblad, P.; Tellgren, R.; Bau, L.V.; Nam, D.N.H.; Phuc, N.X.; Khiem, N.V.; Andre, G.; Bouree, F.

2005-01-01

Effects of magnesium substitution on the magnetic properties of Nd 0.7 Sr 0.3 MnO 3 have been investigated by neutron powder diffraction and magnetization measurements on polycrystalline samples of composition Nd 0.7 Sr 0.3 MnO 3 , Nd 0.6 Mg 0.1 Sr 0.3 MnO 3 , Nd 0.6 Mg 0.1 Sr 0.3 Mn 0.9 Mg 0.1 O 3 , and Nd 0.6 Mg 0.1 Sr 0.3 Mn 0.8 Mg 0.2 O 3 . The pristine compound Nd 0.7 Sr 0.3 MnO 3 is ferromagnetic with a transition temperature occurring at about 210K. Increasing the Mg-substitution causes weakened ferromagnetic interaction and a great reduction in the magnetic moment of Mn. The Rietveld analyses of the neutron powder diffraction (NPD) data at 1.5K for the samples with Mg concentration, y=0.0 and 0.1, show ferromagnetic Mn moments of 3.44(4) and 3.14(4)μ B , respectively, which order along the [001] direction. Below 20K the Mn moments of these samples become canted giving an antiferromagnetic component along the [010] direction of about 0.4μ B at 1.5K. The analyses also show ferromagnetic polarization along [001] of the Nd moments below 50K, with a magnitude of almost 1μ B at 1.5K for both samples. In the samples with Mg substitution of 0.2 and 0.3 only short range magnetic order occurs and the magnitude of the ferromagnetic Mn moments is about 1.6μ B at 1.5K for both samples. Furthermore, the low-temperature NPD patterns show an additional very broad and diffuse feature resulting from short range antiferromagnetic ordering of the Nd moments

Theoretical Mn K-edge XANES for Li2MnO3: DFT + U study

International Nuclear Information System (INIS)

Tamura, Tomoyuki; Ohwaki, Tsukuru; Ito, Atsushi; Ohsawa, Yasuhiko; Kobayashi, Ryo; Ogata, Shuji

2012-01-01

Spectral features of Mn K-edge x-ray absorption near-edge structure (XANES) for Li 2 MnO 3 were calculated using the first-principles full projector augmented wave method with the general gradient approximation plus U method. We demonstrated that the U parameter affects the spectral features in the pre-edge region while it does not affect those in the major absorption region. From the comparison with the experimental spectra and those of reference compounds, we showed that the spectral features of Mn K-edge XANES and the differences in the valence state can be reproduced well. (paper)

A new method to determine J0-integral values (ASTM E 813) without any auxiliary equipment

International Nuclear Information System (INIS)

Ullrich, G.; Krompholz, K.

1987-01-01

In this contribution the path independent J-integral according to J.R. Rice, respective J.D. Landes and J.A. Begley due to ASTME 813 is calculated by the product J pl = d v J el for 3 point bend type specimen. Here d v is the load point displacement up to the point of the onset of stable crack growth V, which is taken from the load versus load point displacement diagram and J el a value which is equivalent to K 2 /E, where K is the stress intensity factor (ASTME 399) and E is Young's modulus. The advantage of the new procedure is the simplicity of the test arrangement and of the evaluation with the determination of initiation point V without computer or other auxiliary equipment. (orig.) [de

Inhomogeneous ferrimagnetic-like behavior in Gd2/3Ca1/3MnO3 single crystals

International Nuclear Information System (INIS)

Haberkorn, N.; Larregola, S.; Franco, D.; Nieva, G.

2009-01-01

We present a study of the magnetic properties of Gd 2/3 Ca 1/3 MnO 3 single crystals at low temperatures, showing that this material behaves as an inhomogeneous ferrimagnet. In addition to small saturation magnetization at 5 K, we have found history dependent effects in the magnetization and the presence of exchange bias. These features are compatible with microscopic phase separation in the clean Gd 2/3 Ca 1/3 MnO 3 system studied

Mn 3 O 4 −Graphene Hybrid as a High-Capacity Anode Material for Lithium Ion Batteries

KAUST Repository

Wang, Hailiang

2010-10-13

We developed two-step solution-phase reactions to form hybrid materials of Mn3O4 nanoparticles on reduced graphene oxide (RGO) sheets for lithium ion battery applications. Selective growth of Mn3O 4 nanoparticles on RGO sheets, in contrast to free particle growth in solution, allowed for the electrically insulating Mn3O4 nanoparticles to be wired up to a current collector through the underlying conducting graphene network. The Mn3O4 nanoparticles formed on RGO show a high specific capacity up to ∼900 mAh/g, near their theoretical capacity, with good rate capability and cycling stability, owing to the intimate interactions between the graphene substrates and the Mn 3O4 nanoparticles grown atop. The Mn3O 4/RGO hybrid could be a promising candidate material for a high-capacity, low-cost, and environmentally friendly anode for lithium ion batteries. Our growth-on-graphene approach should offer a new technique for the design and synthesis of battery electrodes based on highly insulating materials. © 2010 American Chemical Society.

Antiferromagnetism at the YBa2Cu3O7/La2/3Ca1/3MnO3 interface

International Nuclear Information System (INIS)

Haberkorn, N.; Guimpel, J.; Sirena, M.; Steren, L.B.; Saldarriaga, W.; Baca, E.; Gomez, M.E.

2004-01-01

The magnetic properties of a series of YBa 2 Cu 3 O 7-x /La 2/3 Ca 1/3 MnO 3 (YBCO/LC 1/3 MO) superlattices grown by dc sputtering at high oxygen pressures (3.5 mbar) show the expected ferromagnetic behavior. However, field-cooled hysteresis loops at a low temperatures show the unexpected existence of exchange bias effect associated with the existence of ferromagnetic/antiferromagnetic (AF) interfaces. The blocking temperature (T B ) is found to be thickness dependent and the exchange bias field (H EB ) is found to be inversely proportional to the ferromagnetic layer thickness, as expected. The presence of an AF material is probably associated with interface disorder and Mn valence shift toward Mn 4+

19 CFR 351.405 - Calculation of normal value based on constructed value.

Science.gov (United States)

2010-04-01

... 19 Customs Duties 3 2010-04-01 2010-04-01 false Calculation of normal value based on constructed value. 351.405 Section 351.405 Customs Duties INTERNATIONAL TRADE ADMINISTRATION, DEPARTMENT OF COMMERCE ANTIDUMPING AND COUNTERVAILING DUTIES Calculation of Export Price, Constructed Export Price, Fair Value, and...

Rechargable xLi{sub 2}MnO{sub 3}·(1 − x)Li{sub 4/3}Mn{sub 5/3}O{sub 4} electrode nanocomposite material as a modification product of chemical manganese dioxide by lithium additives

Energy Technology Data Exchange (ETDEWEB)

Sokolsky, Georgii V., E-mail: gvsokol@rambler.ru [National University of Food Technologies, Volodymyrska st., 70, 01033 Kyiv (Ukraine); National Aviation University, Cosmonaut Komarov Avenue 1, 04058 Kiev 58 (Ukraine); Ivanov, Sergiy V. [National University of Food Technologies, Volodymyrska st., 70, 01033 Kyiv (Ukraine); Boldyrev, Eudgene I.; Ivanova, Natalya D. [Institute of General and Inorganic Chemistry of Ukrainian National Academy of Science, Palladin Avenue 32-34, 252680 Kiev 142 (Ukraine); Kiporenko, Oksana Ya. [The Ukrainian Physics and Mathematics Lyceum, Akademika Glushkova Avenue 6, 03680, Kyiv (Ukraine)

2015-12-15

Highlights: • Li-ion battery cathode preparation procedure included MnO{sub 2} modification by Li-salts with subsequent heat treatment. • Li{sub 4}Mn{sub 5}O{sub 12}, Li{sub 2}MnO{sub 3,} and Li-rich phases form active nanocomposite cathode. • Heat treatment mode is of crucial importance for rechargeability. • Cathode material capacity is 150 mA h g{sup −1} within 2.5–4.5 V. - Abstract: Relatively simple preparation procedure of rechargeable Li-ion battery cathode material via manganese dioxide treatment with Li-containing additive and subsequent calcination has been demonstrated. X-ray diffraction, infrared spectroscopy, thermogravimetric analysis, and atomic force microscopy study were characterisation methods of modification products. Pyrolusite, Li{sub 0.3}MnO{sub 2}, layered Li{sub 2}MnO{sub 3}, and spinel Li{sub 4}Mn{sub 5}O{sub 12} phases were revealed as products of initial ramsdellite phase transformations at temperatures of heat treatment ranging from 360 °C to 600 °C. Optimal temperature of final heat treatment from the point of view of rechargeability and discharge characteristics was 450 °C. Samples heat-treated at 450 °C are characterized by the unique combination of Li{sub 4/3}Mn{sub 5/3}O{sub 4} and Li{sub 2}MnO{sub 3} phase components due to their structural integration, a significant degree of disordering, and sizes of nanocrystallites with Li diffusion path, which is the most favourable for reversibility. The prepared nanocomposite cathode material delivers a capacity of 150 mA h g{sup −1} within 2.5–4.5 V at 0.1 mA discharge.

27 CFR 40.351 - Cigarette papers.

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2010-04-01

... 27 Alcohol, Tobacco Products and Firearms 2 2010-04-01 2010-04-01 false Cigarette papers. 40.351... OF THE TREASURY (CONTINUED) TOBACCO MANUFACTURE OF TOBACCO PRODUCTS, CIGARETTE PAPERS AND TUBES, AND PROCESSED TOBACCO Manufacture of Cigarette Papers and Tubes Taxes § 40.351 Cigarette papers. Cigarette...

77 FR 1085 - Notice Pursuant to the National Cooperative Research and Production Act of 1993-ASTM International

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2012-01-09

... Production Act of 1993--ASTM International Notice is hereby given that, on December 5, 2011, pursuant to.... (``the Act''), ASTM International (``ASTM'') has filed written notifications simultaneously with the..., ASTM has provided an updated list of current, ongoing ASTM standards activities originating between...

Synthesis and magnetic properties of hexagonal Y(Mn,Cu)O3 multiferroic materials

International Nuclear Information System (INIS)

Jeuvrey, L.; Peña, O.; Moure, A.; Moure, C.

2012-01-01

Single-phase hexagonal-type solid solutions based on the multiferroic YMnO 3 material were synthesized by a modified Pechini process. Copper doping at the B-site (YMn 1−x Cu x O 3 ; x 1+y MnO 3 ; y 3+ two-dimensional lattice. The magnetic transition at T N decreases from 70 K down to 49 K, when x(Cu) goes from 0 to 15 at%. Weak ferromagnetic Mn 3+ –Mn 4+ interactions created by the substitution of Mn 3+ by Cu 2+ , are visible through the coercive field and spontaneous magnetization but do not modify the overall magnetic frustration. Presence of Mn 3+ –Mn 4+ pairs leads to an increase of the electrical conductivity due to thermally-activated small-polaron hopping mechanisms. Results show that local ferromagnetic interactions can coexist within the frustrated state in the hexagonal polar structure. - Highlights: ► Hexagonal-type solid solutions of Y(Mn,Cu)O 3 synthesized by Pechini process. ► Chemical substitution at B site inhibits geometrical magnetic frustration. ► Magnetic transition decreases with Cu-doping. ► Local ferromagnetic Mn–Mn interactions coexist with the frustrated state.

Spin reversal in Gd(Me,MnO3 (Me = Co, Ni

Directory of Open Access Journals (Sweden)

Gutiérrez, D.

2004-06-01

Full Text Available Partial substitution of the rare-earth by calcium at the cationic site of the ABO3 perovskites may show extraordinary effects of spin reversal due to a negative polarization between the rare-earth and the manganese networks, as it occurs in the solid solution Gd1‑xCaxMnO3. We present herein similar effects in gadolinium perovskites of the Gd(Me,MnO3 type, in which the manganese sublattice has been partially substituted by transition metal elements Me, leaving the gadolinium network intact. The spin reversal phenomena is observed at a critical concentration of x(Me = 1/3, which implies an optimum number of pairs Mn3+-Mn4+. Néel temperatures of 48 and 67 K are obtained for Me = Co and Ni, respectively, at the optimum concentration of substituent. A comparison between these different solid solutions allows us to generalize the interpretation of two interacting magnetic sublattices : a Mn-based ferromagnetic one and a negatively-aligned gadolinium network.La sustitución parcial del lantánido por el elemento calcio en el sitio catiónico (sitio A de la perovskita ABO3 puede dar lugar a efectos importantes ligados a una inversión del espín. Dicha inversión se debe a una interacción negativa entre la tierra rara y la subred de manganeso, tal como ocurre en la solución solida Gd1-xCaxMnO3. Se presentan en este trabajo efectos similares que ocurren en las perovskitas de gadolinio de fórmula Gd(Me,MnO3, en las cuales la subred de manganeso (sitio B ha sido reemplazada parcialmente por otros metales de transición Me, dejando intacta la subred de gadolinio. Se observa el fenómeno de inversión de espín para una concentración crítica x(Me = 1/3, para la cual se logra una cantidad óptima de pares Mn3+‑Mn4+. Para esta concentración crítica se observan temperaturas de Néel antiferromagnéticas del orden de 48 y 67 K, respectivamente para Me = Co y Ni. Un análisis comparativo entre estos diferentes sistemas permite generalizar la

75 FR 11196 - Notice Pursuant to the National Cooperative Research and Production Act of 1993-ASTM International

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2010-03-10

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75 FR 65657 - Notice Pursuant to the National Cooperative Research and Production Act of 1993-ASTM International

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2010-10-26

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76 FR 63658 - Notice Pursuant to the National Cooperative Research and Production Act of 1993; ASTM International

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2011-10-13

... Production Act of 1993; ASTM International Notice is hereby given that, on August 31, 2011, pursuant to.... (``the Act''), ASTM International (``ASTM'') has filed written notifications simultaneously with the..., ASTM has provided an updated list of current, ongoing ASTM standards activities originating between May...

Mn porphyrin-based SOD mimic, MnTnHex-2-PyP(5+), and non-SOD mimic, MnTBAP(3-), suppressed rat spinal cord ischemia/reperfusion injury via NF-κB pathways.

Science.gov (United States)

Celic, T; Španjol, J; Bobinac, M; Tovmasyan, A; Vukelic, I; Reboucas, J S; Batinic-Haberle, I; Bobinac, D

2014-12-01

Herein we have demonstrated that both superoxide dismutase (SOD) mimic, cationic Mn(III) meso-tetrakis(N-n-hexylpyridinium-2-yl)porphyrin (MnTnHex-2-PyP(5+)), and non-SOD mimic, anionic Mn(III) meso-tetrakis(4-carboxylatophenyl)porphyrin (MnTBAP(3-)), protect against oxidative stress caused by spinal cord ischemia/reperfusion via suppression of nuclear factor kappa B (NF-κB) pro-inflammatory pathways. Earlier reports showed that Mn(III) N-alkylpyridylporphyrins were able to prevent the DNA binding of NF-κB in an aqueous system, whereas MnTBAP(3-) was not. Here, for the first time, in a complex in vivo system-animal model of spinal cord injury-a similar impact of MnTBAP(3-), at a dose identical to that of MnTnHex-2-PyP(5+), was demonstrated in NF-κB downregulation. Rats were treated subcutaneously at 1.5 mg/kg starting at 30 min before ischemia/reperfusion, and then every 12 h afterward for either 48 h or 7 days. The anti-inflammatory effects of both Mn porphyrins (MnPs) were demonstrated in the spinal cord tissue at both 48 h and 7 days. The downregulation of NF-κB, a major pro-inflammatory signaling protein regulating astrocyte activation, was detected and found to correlate well with the suppression of astrogliosis (as glial fibrillary acidic protein) by both MnPs. The markers of oxidative stress, lipid peroxidation and protein carbonyl formation, were significantly reduced by MnPs. The favorable impact of both MnPs on motor neurons (Tarlov score and inclined plane test) was assessed. No major changes in glutathione peroxidase- and SOD-like activities were demonstrated, which implies that none of the MnPs acted as SOD mimic. Increasing amount of data on the reactivity of MnTBAP(3-) with reactive nitrogen species (RNS) (.NO/HNO/ONOO(-)) suggests that RNS/MnTBAP(3-)-driven modification of NF-κB protein cysteines may be involved in its therapeutic effects. This differs from the therapeutic efficacy of MnTnHex-2-PyP(5+) which presumably occurs via reactive

Optimal C:N ratio for the production of red pigments by Monascus ruber.

Science.gov (United States)

Said, Farhan M; Brooks, John; Chisti, Yusuf

2014-09-01

The carbon-to-nitrogen (C:N) ratio in the biomass of microfungi tends to be quite different (e.g. 10-15) compared with the C:N ratio in the red pigments (e.g. >20) of the fungus Monascus ruber. Therefore, determining an optimal C:N ratio in the culture medium for maximizing the production of the pigments is important. A culture medium composition is established for maximizing the production of the red pigment by the fungus M. ruber ICMP 15220 in submerged culture. The highest volumetric productivity of the red pigment was 0.023 AU L(-1) h(-1) in a batch culture (30 °C, initial pH of 6.5) with a defined medium of the following composition (g L(-1)): glucose (10), monosodium glutamate (MSG) (10), MgSO4·7H2O (0.5), KH2PO4 (5), K2HPO4 (5), ZnSO4·7H2O (0.01), FeSO4·7H2O (0.01), CaCl2 (0.1), MnSO4·H2O (0.03). This medium formulation had a C:N mole ratio of 9:1. Under these conditions, the specific growth rate of the fungus was 0.043 h(-1) and the peak biomass concentration was 6.7 g L(-1) in a 7-day culture. The biomass specific productivity of the red pigment was 1.06 AU g(-1) h(-1). The best nitrogen source proved to be MSG although four other inorganic nitrogen sources were evaluated.

77 FR 14046 - Amended Notice Pursuant to the National Cooperative Research and Production Act of 1993-ASTM...

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2012-03-08

... Research and Production Act of 1993--ASTM International Standards Notice is hereby given that, on February..., 15 U.S.C. 4301 et seq. (``the Act''), ASTM International Standards (``ASTM'') has filed written... circumstances. Specifically, ASTM has provided an updated list of current, ongoing ASTM standards activities...

Synthesis and reaction of [[HC(CMeNAr)2]Mn]2 (Ar = 2,6-iPr2C6H3): the complex containing three-coordinate manganese(I) with a Mn-Mn bond exhibiting unusual magnetic properties and electronic structure.

Science.gov (United States)

Chai, Jianfang; Zhu, Hongping; Stückl, A Claudia; Roesky, Herbert W; Magull, Jörg; Bencini, Alessandro; Caneschi, Andrea; Gatteschi, Dante

2005-06-29

This paper reports on the synthesis, X-ray structure, magnetic properties, and DFT calculations of [[HC(CMeNAr)2]Mn]2 (Ar = 2,6-iPr2C6H3) (2), the first complex with three-coordinate manganese(I). Reduction of the iodide [[HC(CMeNAr)2]Mn(mu-I)]2 (1) with Na/K in toluene afforded 2 as dark-red crystals. The molecule of 2 contains a Mn2(2+) core with a Mn-Mn bond. The magnetic investigations show a rare example of a high-spin manganese(I) complex with an antiferromagnetic interaction between the two Mn(I) centers. The DFT calculations indicate a strong s-s interaction of the two Mn(I) ions with the open shell configuration (3d54s1). This suggests that the magnetic behavior of 2 could be correctly described as the coupling between two S1 = S2 = 5/2 spin centers. The Mn-Mn bond energy is estimated at 44 kcal mol(-1) by first principle calculations with the B3LYP functional. The further oxidative reaction of 2 with KMnO4 or O2 resulted in the formation of manganese(III) oxide [[HC(CMeNAr)2]Mn(mu-O)]2 (3). Compound 3 shows an antiferromagnetic coupling between the two oxo-bridged manganese(III) centers by magnetic measurements.

In-plain electric properties of [CaMnO3/REMO3] (RE=Bi, La M=Fe, Fe0.8Mn0.2) superlattices grown by pulsed laser deposition method

NARCIS (Netherlands)

Iwata, N.; Watabe, Y.; Oikawa, T.; Takase, K.; Huijben, Mark; Inaba, T.; Oshima, K.; Rijnders, Augustinus J.H.M.; Yamamoto, H.

2014-01-01

The [CaMnO3 (CMO)/REMO3] (RE = Bi, La M = Fe, Fe0.8Mn0.2) superlattices show semiconducting behavior with transition temperatures (TEg) of 71, 127, and 151 K in the [CMO/BiFe0.8Mn0.2O3], [CMO/BiFeO3], and [CMO/LaFeO3] superlattices. The formation of a magnetic polaron is expected in the CMO layer of

Chronic ankle pain and fibrosis successfully treated with a new noninvasive augmented soft tissue mobilization technique (ASTM): a case report.

Science.gov (United States)

Melham, T J; Sevier, T L; Malnofski, M J; Wilson, J K; Helfst, R H

1998-06-01

This clinical case report demonstrates the clinical effectiveness of a new form of soft tissue mobilization in the treatment of excessive connective tissue fibrosis (scar tissue) around an athlete's injured ankle. The scar tissue was causing the athlete to have pain with activity, pain on palpation of the ankle, decreased range of motion, and loss of function. Surgery and several months of conventional physical therapy failed to alleviate the athlete's symptoms. As a final resort, augmented soft tissue mobilization (ASTM) was administered. ASTM is an alternative nonsurgical treatment modality that is being researched at Performance Dynamics (Muncip, IN). ASTM is a process that uses ergonomically designed instruments that assist therapists in the rapid localization and effective treatment of areas exhibiting excessive soft tissue fibrosis. This is followed by a stretching and strengthening program. Upon the completion of 6 wk of ASTM therapy, the athlete had no pain and had regained full range of motion and function. This case report is an example of how a noninvasive augmented form of soft tissue mobilization (ASTM) demonstrated impressive clinical results in treating a condition caused by connective tissue fibrosis.

A Radio Emission Analysis of Classical Nova V351 Pup (1991)

Science.gov (United States)

Wendeln, Carolyn; Chomiuk, Laura; Finzell, Thomas; Linford, Justin D.; Strader, Jay

2017-05-01

Previously, Nova Puppis 1991 (V351 Pup) was measured to host one of the most massive ejections claimed in the literature. Multi-frequency radio detections from one epoch were published for this nova in the 1990's; and yet, the remaining data collected by the Karl G. Jansky Very Large Array (VLA) have remained unpublished. In this paper, we analyze the remaining unpublished data sets for V351 Pup at frequencies of 4.9, 8.4, 14.9, and 22.5 GHz. We fit the resulting light curve to a model of expanding thermal ejecta, under the assumption that the radio emission is dominated by free-free radiation and accounting for high levels of clumping in the ejecta. Images of V351 Pup in both the radio (from the VLA) and Hα+[N II] (from Hubble Space Telescope) exhibit no aspherical structure, strengthening our assumption of spherical symmetry. From expansion parallax methods, we estimate the distance to V351 Pup to be 5.0 ± 1.5 kpc. Our light-curve fit yields a value of {{log}}10({M}{ej})=-5.2+/- 0.7 {M}⊙ for the ejecta mass, implying that V351 Pup is on the low end of expectations for ejecta mass from classical novae. A comparison between our derived ejecta mass and theoretical models gives evidence for a very massive (1.25 {M}⊙ ) white dwarf, which is consistent with spectroscopic evidence for an oxygen-neon white dwarf.

Monte Carlo simulation of roughness effect on magnetic and magnetotransport behavior of La{sub 2/3}Ca{sub 1/3}MnO{sub 3}/La{sub 1/3}Ca{sub 2/3}MnO{sub 3} bilayers

Energy Technology Data Exchange (ETDEWEB)

Agudelo-Giraldo, J.D. [PCM Computational Applications, Universidad Nacional de Colombia-Sede Manizales, Km. 9 vía al aeropuerto, Manizales (Colombia); Restrepo-Parra, E., E-mail: erestrepopa@unal.edu.co [PCM Computational Applications, Universidad Nacional de Colombia-Sede Manizales, Km. 9 vía al aeropuerto, Manizales (Colombia); Restrepo, J. [Grupo de Magnetismo y Simulación, Instituto de Física, Universidad de Antioquia, A.A., 1226 Medellín (Colombia)

2014-02-01

In this work we address the study of the magnetic and magnetotransport properties of ferromagnetic (FM)/antiferromagnetic (AFM) La{sub 2/3}Ca{sub 1/3}MnO{sub 3}/La{sub 1/3}Ca{sub 2/3}MnO{sub 3} manganites bilayers by means of the standard Monte Carlo method. Simulations, implemented with a single spin flip Metropolis dynamics, were performed in the framework of a three-dimensional classical Heisenberg model. Four different superexchange interactions, with the two different types of ions Mn{sup 3+} and Mn{sup 4+} involved and the orbital differences accounting for the Mn{sup 3+} ions, were considered in the Hamiltonian. Likewise, terms dealing with magnetocrystalline anisotropy and the influence of an external applied magnetic field were also included. Samples were simulated having dimensions L×L×(d{sub FM}+d{sub AFM}) where L, measured in lattice parameter units, stands for the linear and lateral dimension along which periodic boundary conditions were implemented, whereas d{sub FM} and d{sub AFM} stand for the thicknesses of FM and AFM layers respectively with free boundary conditions. Different degrees of roughness at the interface were also simulated in order to analyze its influence on the magnetic and magnetotransport properties of the system. In particular, low-temperature results reveal a trend of the coercive field to increase with roughness contrary to the exchange bias field behavior, which tends to decrease. Both quantities are modulated by oscillations ascribed to the atomic disorder at the interface. Finally, the roughness effect upon the bilayer resistivity and on the metal–insulator temperature is also presented and discussed.

Prediction of the Iron-Based Polynuclear Magnetic Superhalogens with Pseudohalogen CN as Ligands.

Science.gov (United States)

Ding, Li-Ping; Shao, Peng; Lu, Cheng; Zhang, Fang-Hui; Liu, Yun; Mu, Qiang

2017-07-17

To explore stable polynuclear magnetic superhalogens, we perform an unbiased structure search for polynuclear iron-based systems based on pseudohalogen ligand CN using the CALYPSO method in conjunction with density functional theory. The superhalogen properties, magnetic properties, and thermodynamic stabilities of neutral and anionic Fe 2 (CN) 5 and Fe 3 (CN) 7 clusters are investigated. The results show that both of the clusters have superhalogen properties due to their electron affinities (EAs) and that vertical detachment energies (VDEs) are significantly larger than those of the chlorine element and their ligand CN. The distribution of the extra electron analysis indicates that the extra electron is aggregated mainly into pseudohalogen ligand CN units in Fe 2 (CN) 5 ¯ and Fe 3 (CN) 7 ¯ cluster. These features contribute significantly to their high EA and VDE. Besides superhalogen properties, these two anionic clusters carry a large magnetic moment just like the Fe 2 F 5 ¯ cluster. Additionally, the thermodynamic stabilities are also discussed by calculating the energy required to fragment the cluster into various smaller stable clusters. It is found that Fe(CN) 2 is the most favorable fragmentation product for anionic Fe 2 (CN) 5 ¯ and Fe 3 (CN) 7 ¯ clusters, and both of the anions are less stable against ejection of Fe atoms than Fe(CN) n-x .

Color-tunable and white luminescence properties via energy transfer in single-phase KNaCa2(PO4)2:A (A = Ce3+, Eu2+, Tb3+, Mn2+, Sm3+) phosphors.

Science.gov (United States)

Geng, Dongling; Shang, Mengmeng; Zhang, Yang; Lian, Hongzhou; Lin, Jun

2013-12-02

A series of single-phase phosphors based on KNaCa2(PO4)2 (KNCP):A (A = Ce(3+), Eu(2+), Tb(3+), Mn(2+), Sm(3+)) have been prepared via the Pechini-type sol-gel method. Photoluminescence (PL) and cathodoluminescence (CL) properties of Ce(3+)-, Eu(2+)-, Tb(3+)-, Mn(2+)-, and Sm(3+)-activated KNCP phosphors were investigated. For the A singly doped KNCP samples, they exhibit the characteristic emissions of the A activator. Na(+) ions exhibit the best charge compensation result among Li(+), Na(+), and K(+) ions for Ce(3+)-, Tb(3+)-, and Sm(3+)-doped KNCP samples. The energy transfers from Ce(3+) to Tb(3+) and Mn(2+) ions as well as Eu(2+) to Tb(3+) and Mn(2+) have been validated. The emission colors of KNCP:Ce(3+)/Eu(2+), Tb(3+)/Mn(2+), Na(+) samples can be adjusted by energy transfer process and changing the Tb(3+)/Mn(2+) concentration. More importantly, white light emission in KNCP:Eu(2+), Mn(2+) system has been obtained. The KNCP:Tb(3+), Na(+) sample shows tunable luminescence from blue to cyan and then to green with the change of Tb(3+) concentration due to the cross-relaxation from (5)D3 to (5)D4. A white emission can also be realized in the single-phase KNCP host by reasonably adjusting the doping concentrations of Tb(3+) and Sm(3+) (reddish-orange emission) under low-voltage electron beam excitation. Additionally, the temperature-dependent PL properties of as-prepared phosphors reveal that the KNCP host has good thermal stability. Therefore, the KNCP:A (A = Ce(3+), Eu(2+), Tb(3+), Mn(2+), Sm(3+)) phosphors could be regarded as good candidates for UV W-LEDs and FEDs.

Corrosion effect on the electrochemical properties of LaNi3.55Mn0.4Al0.3Co0.75 and LaNi3.55Mn0.4Al0.3Fe0.75 negative electrodes used in Ni-MH batteries

International Nuclear Information System (INIS)

Khaldi, Chokri; Boussami, Sami; Rejeb, Borhene Ben; Mathlouthi, Hamadi; Lamloumi, Jilani

2010-01-01

The thermodynamic parameters, electrochemical capacity, equilibrium potential and the equilibrium pressure, of LaNi 3.55 Mn 0.4 Al 0.3 Co 0.75 and LaNi 3.55 Mn 0.4 Al 0.3 Fe 0.75 alloys have been evaluated from the electrochemical isotherms (C/30 and OCV methods) and CV technique. A comparative study has been done between the parameter values deduced from the electrochemical methods and the solid-gas method. The parameter values deduced from the electrochemical methods are influenced by the electrochemical corrosion of the alloys in aqueous KOH electrolyte. The corrosion behaviour of the LaNi 3.55 Mn 0.4 Al 0.3 Co 0.75 and LaNi 3.55 Mn 0.4 Al 0.3 Fe 0.75 electrodes after activation was investigated using the method of the potentiodynamic polarization. The variation of current and potential corrosion values with the state of charge (SOC) show that the substitution of cobalt by iron accentuates the corrosion process. The high-rate dischargeability (HRD) of the LaNi 3.55 Mn 0.4 Al 0.3 Co 0.75 and LaNi 3.55 Mn 0.4 Al 0.3 Fe 0.75 alloys was examined. By increasing the discharge current the (HRD) decrease linearly for both the alloys and for the LaNi 3.55 Mn 0.4 Al 0.3 Fe 0.75 compound is greater then for the LaNi 3.55 Mn 0.4 Al 0.3 Co 0.75 one.

7 CFR Appendix C to Part 220 - Child Nutrition (CN) Labeling Program

Science.gov (United States)

2010-01-01

... product label that contains a CN label statement and CN logo as defined in paragraph 3 (b) and (c) below... statement” as defined in paragraph 3(c). EC17SE91.003 (c) The “CN label statement” includes the following... alternate product toward the meat/meat alternate, bread/bread alternate, and/or vegetable/fruit component of...

A first-principles study of oxygen vacancy induced changes in structural, electronic and magnetic properties of La{sub 2/3}Sr{sub 1/3}MnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Li, Jia [Division of Materials Science, Nanyang Technological University, Singapore, 639798 (Singapore); Sun, Lizhong [Division of Materials Science, Nanyang Technological University, Singapore, 639798 (Singapore); Laboratory for Quantum Engineering and Micro-Nano Energy Technology, Xiangtan University, Xiangtan, Hunan, 411105 (China); Shenai, Prathamesh M.; Wang, Junling [Division of Materials Science, Nanyang Technological University, Singapore, 639798 (Singapore); Zheng, Hang [Department of Physics, Shanghai Jiao Tong University, 800 Dong Chuan Road, Shanghai, 200240 (China); Zhao, Yang, E-mail: YZhao@ntu.edu.sg [Division of Materials Science, Nanyang Technological University, Singapore, 639798 (Singapore)

2015-11-15

We have systematically assessed the influence of oxygen vacancy defects on the structural, electronic and magnetic properties of La{sub 2/3}Sr{sub 1/3}MnO{sub 3} via first-principles calculations using the bare GGA as well as the GGA + U formalism. The on-site Coulombic repulsion parameter U for Mn 3d orbital in the latter has been determined by the linear response theory. It is revealed that the introduction of the vacancy defects causes prominent structural changes in the microenvironment of a defect including the distortions of MnO{sub 6} octahedra. In contrast to the general notion, the GGA + U formalism is found to yield significantly more prominent structural changes than the bare GGA method. The octahedral distortion leads to a strengthening or weakening of the hybridization between Mn 3d and O 2p orbitals depending upon an increase or decrease, respectively, in the Mn–O distances as compared to the pristine system. The magnetic moments of the Mn atoms located in three typical sites of the vacancy-containing supercell are all larger than those in the pristine system. This enhancement for the Mn atoms located in the first- and third-nearest neighboring MnO{sub 6} octahedra of the vacancy defect originates from the electron transfer from 4s/3p to 3d orbitals. On the other hand, for the Mn atom located in the first-nearest neighboring site of the vacancy it is attributed to the increased total number of electrons in 3d orbitals due to the absence of one Mn–O bond. Furthermore, we have characterized the O-vacancy defect as a hole-type defect that forms a negative charge center, attracting electrons. - Highlights: • GGA + U calculations reveal effect of O-vacancy on properties of La{sub 1−1/3}Sr{sub 1/3}MnO{sub 3.} • Value of U = 5.9 eV calculated for Mn 3d orbitals from the linear response theory. • O-vacancy causes prominent distortions of MnO{sub 6} octahedra. • Octahedral distortions modulate electronic and magnetic properties of LSMO. �

CN in the Sgr A* environment - first results

International Nuclear Information System (INIS)

Stankovic, M; Seaquist, E R; Muehle, S

2006-01-01

The radical CN, through the CN/HCN ratio, has proven to be an exceptionally good tool to study the photodissociation regions (PDRs) dominated by FUV radiation. Our region of interest, the circumnuclear disk (CND) surrounding Sgr A*, is exposed to the strong UV radiation field originating from the central stellar cluster. It contains potentially star forming cores recently elucidated by interferometric HCN observations with OVRO by Christopher et al. (2005). We present the results of preliminary observations of CN (N = 2-l) transitions with the IRAM 30-m telescope and report, for the first time, detection of CN emission in the GC region indicative of PDR, activity. This work motivates the further investigation of the role of PDRs in the clumpy medium of the Galactic center (GC) environment in global photodissociation and in promoting or inhibiting star formation in the CND