A new model for predicting thermodynamic properties of ternary metallic solution from binary components

International Nuclear Information System (INIS)

Fang Zheng; Zhang Quanru

2006-01-01

A model has been derived to predict thermodynamic properties of ternary metallic systems from those of its three binaries. In the model, the excess Gibbs free energies and the interaction parameter ω 123 for three components of a ternary are expressed as a simple sum of those of the three sub-binaries, and the mole fractions of the components of the ternary are identical with the sub-binaries. This model is greatly simplified compared with the current symmetrical and asymmetrical models. It is able to overcome some shortcomings of the current models, such as the arrangement of the components in the Gibbs triangle, the conversion of mole fractions between ternary and corresponding binaries, and some necessary processes for optimizing the various parameters of these models. Two ternary systems, Mg-Cu-Ni and Cd-Bi-Pb are recalculated to demonstrate the validity and precision of the present model. The calculated results on the Mg-Cu-Ni system are better than those in the literature. New parameters in the Margules equations expressing the excess Gibbs free energies of three binary systems of the Cd-Bi-Pb ternary system are also given

A metallic solution model with adjustable parameter for describing ternary thermodynamic properties from its binary constituents

International Nuclear Information System (INIS)

Fang Zheng; Qiu Guanzhou

2007-01-01

A metallic solution model with adjustable parameter k has been developed to predict thermodynamic properties of ternary systems from those of its constituent three binaries. In the present model, the excess Gibbs free energy for a ternary mixture is expressed as a weighted probability sum of those of binaries and the k value is determined based on an assumption that the ternary interaction generally strengthens the mixing effects for metallic solutions with weak interaction, making the Gibbs free energy of mixing of the ternary system more negative than that before considering the interaction. This point is never considered in the models currently reported, where the only difference in a geometrical definition of molar values of components is considered that do not involve thermodynamic principles but are completely empirical. The current model describes the results of experiments very well, and by adjusting the k value also agrees with those from models used widely in the literature. Three ternary systems, Mg-Cu-Ni, Zn-In-Cd, and Cd-Bi-Pb are recalculated to demonstrate the method of determining k and the precision of the model. The results of the calculations, especially those in Mg-Cu-Ni system, are better than those predicted by the current models in the literature

Equilibrium studies of ternary systems containing some selected transition metal ions, triazoles and aromatic carboxylic acids

Energy Technology Data Exchange (ETDEWEB)

Khalil, Mohamed Magdy; Radalla, Abd-Elatty; Qasem, Fatma; Khaled, Rehab [Beni-Suef University, Beni-Suef (Egypt)

2014-01-15

Solution equilibria of the binary and ternary complex systems of the divalent transition metal ions Cu{sup 2+}, Ni{sup 2+}, Zn{sup 2+}, and Co{sup 2+} with 1,2,4-triazole (TRZ), 3-mercapto-1,2,4-triazole (TRZSH), and 3-amino-1,2,4-triazole (TRZAM) and aromatic carboxylic acids (phthalic, anthranilic, salicylic, and 5-sulfosalicylic acid) have been studied pH-metrically at (25.0±0.1) .deg. C, and a constant ionic strength I=1x10{sup -1} mol L{sup -1} NaNO{sub 3} in an aqueous medium. The potentiometric titration curves show that binary and ternary complexes of these ligands are formed in solution. The stability constants of the different binary and ternary complexes formed were calculated on the basis of computer analysis of the titration data. The relative stability of the different ternary complex species is expressed in terms of Δ log K values, log X and R. S.% parameters. The effect of temperature of the medium on both the proton-ligand equilibria for TRZAM and phthalic acid and their metal-ligand equilibria with Cu{sup 2+}, Ni{sup 2+}, and Co{sup 2+} has been studied along with the corresponding thermodynamic parameters. The complexation behavior of ternary complexes is ascertained using conductivity measurements. In addition, the formation of ternary complexes in solution has been confirmed by using UV-visible spectrophotometry.

The analysis of fuel constituent redistribution for ternary metallic fuel slug

Energy Technology Data Exchange (ETDEWEB)

Lee, Byoung Oon; Lee, Dong Uk; Kim, Young Kyun; Chang, Jin Wook; Lee, Ki Bok; Kim, Young Il

2004-02-01

U-TRU-Zr metallic alloy is being considered as the fuel slug for the proliferation resistance core of KALIMER. The radial fuel constituent migration is a general phenomenon in the metallic alloys. This phenomenon may affect the in-reactor performance of metallic fuel rods, influencing such factors as melting temperature, thermal conductivity, power generation rate, phase boundaries and eutectic melting of the fuel slug. Thus, constituent redistribution modeling is essential when developing a metallic fuel performance code. The constituent migration model adopted in this report was based on the Ishida's model and Hofman's theory. A subroutine program has been made and installed into the MACSIS code to simulate constituent redistribution. The radial profile of Zr redistribution was calculated for the ternary metallic fuel, and compared with the measured data.

Ternary complex formation at mineral/solution interfaces

International Nuclear Information System (INIS)

Leckie, J.O.

1995-01-01

Adsorption of trace concentrations of radionuclides and heavy metals from aqueous solution is dependent on pH, absorbent and adsorbate concentration, and speciation of the metal in solution. In particular, complexation of metal ions by organic and inorganic ligands can dramatically alter adsorption behavior compared to ligand-free systems. The presence of complexing ligands can cause the formation of ''metal like'' or ''ligand like'' ternary surface complexes depending on whether adsorption of the ternary complex increases or decreases with increasing pH, respectively. Examples of ternary surface complexes behaving ''metal like'' include uranyl-EDTA surface complexes on goethite, neptunyl-EDTA surface complexes on hematite and neptunyl-humic surface complexes on gibbsite. Examples of ''ligand like'' ternary surface complexes include uranyl-carbonato and neptunyl-carbonato surface complexes on iron oxides. The effects of complex solutions and multimineralic systems are discussed. (authors). 39 refs., 16 figs., 8 tabs

The ternary post-transition metal carbodiimide SrZn(NCN)2

International Nuclear Information System (INIS)

Corkett, Alex J.; Konze, Philipp M.; Dronskowski, Richard

2017-01-01

SrZn(NCN) 2 , the first example of a ternary post-transition metal carbodiimide, was prepared by a solid-state metathesis reaction. The crystal structure was solved from PXRD data and found to adopt the orthorhombic (Cmcm) BaZnSO structure, a high symmetry modification of that expressed by the oxide analogue SrZnO 2 . Locally, SrZn(NCN) 2 features ZnN 4 tetrahedra and SrN 6 trigonal prisms similar to those in quarternary LiSr 2 M(NCN) 4 (M = Al 3+ and Ga 3+ ) phases, however, the overall topologies are distinct with single chains in the former and double chains in the latter. Electronic structure calculations indicate an indirect bandgap of about 2.95 eV in SrZn(NCN) 2 , slightly lower than the experimentally observed bandgap of 3.4 eV in SrZnO 2 and consistent with a greater degree of covalency. The structural similarities between SrZn(NCN) 2 and oxychalcogenide analogues highlight the pseudochalcogenide character of NCN 2- and suggest that the title compound may serve as a template for accessing novel ternary carbodiimides featuring tetrahedrally coordinated transition metals. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Electrochemically Formed Ultrafine Metal Oxide Nanocatalysts for High-Performance Lithium–Oxygen Batteries

Energy Technology Data Exchange (ETDEWEB)

Liu, Bin; Yan, Pengfei; Xu, Wu; Zheng, Jianming; He, Yang; Luo, Langli; Bowden, Mark E.; Wang, Chong-Min; Zhang, Ji-Guang

2016-08-10

Lithium-oxygen (Li-O2) battery has an extremely high theoretical specific energy density as compared with conventional energy storage systems. However, practical application of Li-O2 battery system still faces significant challenges, especially its poor cyclability. In this work, we report a new approach to synthesis ultrafine metal oxide nanocatalysts through an electrochemical pre-lithiation process. This process reduces the size of NiCo2O4 (NCO) particles from 20~30 nm to a uniformly distributed domain of ~ 2 nm and largely improved their catalytic activity. Structurally, the pre-lithiated NCO NWs are featured by ultrafine NiO/CoO nanoparticles, which show high stability during prolonged cycles in terms of morphology and the particle size, therefore maintaining an excellent catalytic effect to oxygen reduction and evolution reactions. Li-O2 battery using this catalyst has demonstrated an initial capacity of 29,280 mAh g-1 and has retained a stable capacity of over 1,000 mAh g-1 after 100 cycles based on the weight of NCO active material. Direct in-situ TEM observation conclusively reveals the lithiation/delithiation process of as-prepared NCO NWs, clarifying the NCO/Li electrochemical reaction mechanism that can be extended to other transition-metal oxides and providing the in depth understandings on the catalysts and battery chemistries of other ternary transition-metal oxides.

Development of metallic fuel fabrication - A study on the interdiffusion behavior between ternary metallic fuel and cladding materials

Energy Technology Data Exchange (ETDEWEB)

Lee, Byung Soo; Seol, Kyung Won; Shon, In Jin [Chonbuk National University, Chonju (Korea)

1999-04-01

To study a new ternary metallic fuel for liquid metal reactor, various U-Zr-X alloys have been made by induction melting. The specimens were prepared for thermal stability tests at 630 deg. C upto 5000 hours in order to estimate the decomposition of the lamellar structure. Interdiffusion studies were carried out at 700 deg. C for 200 hours for the diffusion couples assembled with U-Zr-X ternary fuel versus austenitic stainless steel D9 and martensitic stainless steel HT9, respectively, to investigate the fuel-cladding compatibility. The ternary alloy, especially U-Zr-Mo and U-Zr-Nb alloys showed relatively good thermal stability as long as 5000hrs at 630 deg. C. From the composition profiles of the interdiffusion study, Fe penetrated deeper to the fuel side than other cladding elements such as Ni and Cr, whereas U did to the cladding side of fuel elements in the fuel/D9 couples. On the contrary, the reaction layers of Fuel/HT9 couple were thinner than that of Fuel/D9 couples and were less affected by cladding element, which was believed to be due to Zr rich layer between the fuel-cladding interface. HT9 is considered to be superior to D9 and a favorable choice as a cladding material in terms of fuel-cladding compatibility. 21 refs., 24 figs., 7 tabs. (Author)

The influence of the oxygen partial pressure on the quasi-ternary system Cr-Mn-Ti-oxide

International Nuclear Information System (INIS)

Garcia-Rosales, C.; Schulze, H.A.; Naoumidis, A.; Nickel, H.

1991-05-01

The passivation layers formed by the oxidizing corrosion of high temperature alloys consist primarily of oxides and mixed oxides of the elements chromium, manganese and titanium. For a reproducible formation and characterization of such oxide layers it is necessary to know the phase equilibria of these oxide systems at temperature and oxygen partial pressure conditions which will be relevant during their application. For the investigation of the quasi-ternary system Cr-Mn-Ti-oxide, oxide powders were prepared and annealed at 1000deg C under different oxygen partial pressures ranging from 0.21 bar to 10 -21 bar. Phase identification and determination of lattice parameter using X-ray diffraction analysis as well as the direct measurement of phase boundaries as a function of oxygen partial pressure using the emf-methode were carried out for these investigations. In the quasi-ternary system Cr-Mn-Ti-oxide the spinels play a decisive role in the oxigen partial pressure range examined. The spinel MnCr 2 O 4 may be regarded as the most significant compound. Part of the chronium can be replaced by trivalent manganese at high oxygen partial pressures and by trivalent titanium at low pressures, and the formation of a solid solution with the spinel Mn 2 TiO 4 is possible in all cases. In this way a coherent single-phase spinel region is observed which extends over the entire oxygen partial pressure range form 0.21 bar to 10 -21 bar examined at 1000deg C. (orig.) [de

Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

DEFF Research Database (Denmark)

Hummelshøj, Jens Strabo; Landis, David; Voss, Johannes

2009-01-01

We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M1); and 1 alkali, alkaline earth or 3d/4d transition...

Atomistic approach to predict the glass-forming ability in Zr–Cu–Al ternary metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Yu, C.Y. [Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China); Liu, X.J. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Zheng, G.P. [Department of Mechanical Engineering, The Hong Kong Polytechnic University, Kowloon, Hong Kong (China); Niu, X.R. [Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China); Liu, C.T., E-mail: chainliu@cityu.edu.hk [Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China)

2015-04-05

Highlights: • An atomistic approach has been developed to predict the glass forming ability (GFA) in Zr–Cu–Al ternary alloy system. • Both of the thermodynamic and structure-dependent kinetic effects to glass formation have been taken into account. • The first-principles calculation and molecular dynamics simulation have been performed. • The approach predicts the best glass former in the model Zr–Cu–Al alloy system. • The predicted GFA is consistent with various experimental results. - Abstract: Prediction of composition-dependent glass-forming ability (GFA) remains to be a key scientific challenge in the metallic-glass community, especially in multi-component alloy systems. In the present study, we apply an atomistic approach to predict the trend of GFA effectively in the Zr–Cu–Al ternary alloy system from alloy compositions alone. This approach is derived from the first-principles calculations based on the density-functional theory and molecular dynamic (MD) simulations. By considering of both the thermodynamic and atomic-structure induced kinetic effects, the predicted GFA trend from this approach shows an excellent agreement with experimental data available in this alloy system, manifesting its capability of seeking metallic glasses with superior GFA in ternary alloy systems.

The ternary post-transition metal carbodiimide SrZn(NCN){sub 2}

Energy Technology Data Exchange (ETDEWEB)

Corkett, Alex J.; Konze, Philipp M. [Institute of Inorganic Chemistry, RWTH Aachen University, Aachen (Germany); Dronskowski, Richard [Institute of Inorganic Chemistry, RWTH Aachen University, Aachen (Germany); Juelich-Aachen Research Alliance (JARA-HPC), RWTH-Aachen University, Aachen (Germany)

2017-11-17

SrZn(NCN){sub 2}, the first example of a ternary post-transition metal carbodiimide, was prepared by a solid-state metathesis reaction. The crystal structure was solved from PXRD data and found to adopt the orthorhombic (Cmcm) BaZnSO structure, a high symmetry modification of that expressed by the oxide analogue SrZnO{sub 2}. Locally, SrZn(NCN){sub 2} features ZnN{sub 4} tetrahedra and SrN{sub 6} trigonal prisms similar to those in quarternary LiSr{sub 2}M(NCN){sub 4} (M = Al{sup 3+} and Ga{sup 3+}) phases, however, the overall topologies are distinct with single chains in the former and double chains in the latter. Electronic structure calculations indicate an indirect bandgap of about 2.95 eV in SrZn(NCN){sub 2}, slightly lower than the experimentally observed bandgap of 3.4 eV in SrZnO{sub 2} and consistent with a greater degree of covalency. The structural similarities between SrZn(NCN){sub 2} and oxychalcogenide analogues highlight the pseudochalcogenide character of NCN{sup 2-} and suggest that the title compound may serve as a template for accessing novel ternary carbodiimides featuring tetrahedrally coordinated transition metals. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Synergistic increase of oxygen reduction favourable Fe-N coordination structures in a ternary hybrid of carbon nanospheres/carbon nanotubes/graphene sheets.

Science.gov (United States)

Zhang, Shiming; Liu, Bin; Chen, Shengli

2013-11-14

A Fe/N co-doped ternary nanocarbon hybrid, with uniform bamboo-like carbon nanotubes (CNTs) in situ grown on/between the single/few-layer graphene sheets interspaced by carbon nanosphere aggregates, was prepared through a one-pot heat treatment of a precursor mixture containing graphene oxide, Vulcan XC-72 carbon nanospheres, nitrogen rich melamine and small amounts of Fe ions. Physical characterization including electron microscopic images, N2 adsorption-desorption isotherms, pore size distribution, XPS, XRD, Mössbauer spectra, and EDX revealed that the 0-D/1-D/2-D ternary hybrid architecture not only offered an optimized morphology for high dispersion of each nanocarbon moiety, while the carbon nanosphere interspaced graphene sheets have provided a platform for efficient reaction between Fe ions and melamine molecules, resulting in uniform nucleation and growth of CNTs and formation of high density Fe-N coordination assemblies that have been believed to be the active centers for the oxygen reduction reaction (ORR) in carbon-based nonprecious metal electrocatalysts. In the absence of graphene oxides or carbon nanospheres, a similar heat treatment was found to result in large amounts of elemental Fe and Fe carbides and entangled CNTs with wide diameter distributions. As a result, the ternary Fe/N-doped nanocarbon hybrid exhibits ORR activity much higher than the Fe-N doped single or binary nanocarbon materials prepared under similar heat treatment conditions, and approaching that of the state-of-the-art carbon-supported platinum catalyst (Pt/C) in acidic media, as well as superior stability and methanol tolerance to Pt/C.

Ternary alkali-metal and transition metal or metalloid acetylides as alkali-metal intercalation electrodes for batteries

Science.gov (United States)

Nemeth, Karoly; Srajer, George; Harkay, Katherine C; Terdik, Joseph Z

2015-02-10

Novel intercalation electrode materials including ternary acetylides of chemical formula: A.sub.nMC.sub.2 where A is alkali or alkaline-earth element; M is transition metal or metalloid element; C.sub.2 is reference to the acetylide ion; n is an integer that is 0, 1, 2, 3 or 4 when A is alkali element and 0, 1, or 2 when A is alkaline-earth element. The alkali elements are Lithium (Li), Sodium (Na), Potassium (K), Rubidium (Rb), Cesium (Cs) and Francium (Fr). The alkaline-earth elements are Berilium (Be), Magnesium (Mg), Calcium (Ca), Strontium (Sr), Barium (Ba), and Radium (Ra). M is a transition metal that is any element in groups 3 through 12 inclusive on the Periodic Table of Elements (elements 21 (Sc) to element 30 (Zn)). In another exemplary embodiment, M is a metalloid element.

Interatomic potential to predict the favored and optimized compositions for ternary Cu-Zr-Hf metallic glasses

International Nuclear Information System (INIS)

Luo, S. Y.; Cui, Y. Y.; Dai, Y.; Li, J. H.; Liu, B. X.

2012-01-01

Under the framework of smoothed and long range second-moment approximation of tight-binding, a realistic interatomic potential was first constructed for the Cu-Zr-Hf ternary metal system. Applying the constructed potential, Monte Carlo simulations were carried out to compare the relative stability of crystalline solid solution versus its disordered counterpart over the entire composition triangle of the system (as a function of alloy composition). Simulations not only reveal that the origin of metallic glass formation but also determine, in the composition triangle, a quadrilateral region, within which metallic glass formation is energetically favored. It is proposed to define the energy differences between the crystalline solid solutions and disordered states as the driving force for amorphization and the corresponding calculations pinpoint an optimized composition locating at an composition of Cu 55 Zr 10 Hf 35 , around which the driving force for metallic glass formation reaches its maximum, suggesting that the ternary Cu-Zr-Hf metallic glasses designed to have the compositions around Cu 55 Zr 10 Hf 35 could be more stable than other alloys in the system. Moreover, for the Cu 55 Zr 10 Hf 35 metallic glass, the Voronoi tessellation calculations reveal some interesting features of its atomic configurations and coordination polyhedra distribution.

A combined theoretical and experimental approach of a new ternary metal oxide in molybdate composite for hybrid energy storage capacitors

Science.gov (United States)

Minakshi, M.; Watcharatharapong, T.; Chakraborty, S.; Ahuja, R.

2018-04-01

Sustainable energy sources require an efficient energy storage system possessing excellent electrochemical properties. The better understanding of possible crystal configurations and the development of a new ternary metal oxide in molybdate composite as an electrode for hybrid capacitors can lead to an efficient energy storage system. Here, we reported a new ternary metal oxide in molybdate composite [(Mn1/3Co1/3Ni1/3)MoO4] prepared by simple combustion synthesis with an extended voltage window (1.8 V vs. Carbon) resulting in excellent specific capacity 35 C g-1 (58 F g-1) and energy density (50 Wh kg-1 at 500 W kg-1) for a two electrode system in an aqueous NaOH electrolyte. The binding energies measured for Mn, Co, and Ni 2p are consistent with the literature, and with the metal ions being present as M(II), implying that the oxidation states of the transition metals are unchanged. The experimental findings are correlated well through density functional theory based electronic structure calculations. Our reported work on the ternary metal oxide studies (Mn1/3Co1/3Ni1/3)MoO4 suggests that will be an added value to the materials for energy storage.

Asymmetric supercapacitors with metal-like ternary selenides and porous graphene electrodes

KAUST Repository

Xia, Chuan

2016-04-14

Asymmetric supercapacitors provide a promising approach to fabricate capacitive energy storage devices with high energy and power densities. In this work, asymmetric supercapacitors with excellent performance have been fabricated using ternary (Ni, Co)0.85Se on carbon fabric as bind-free positive electrode and porous free-standing graphene films as negative electrode. Owing to their metal-like conductivity (~1.67×106 S m−1), significant electrochemical activity, and superhydrophilic nature, our nanostructured ternary nickel cobalt selenides result in a much higher areal capacitance (2.33 F cm−2 at 4 mA cm−2), better rate performance and cycling stability than their binary selenide equivalents, and other ternary oxides and chalcogenides. Those hybrid supercapacitors can afford impressive areal capacitance and stack capacitance of 529.3 mF cm−2 and 6330 mF cm−3 at 1 mA cm−2, respectively. More impressively, our optimized asymmetric device operating at 1.8 V delivers a very high stack energy density of 2.85 mWh cm−3 at a stack power density of 10.76 mW cm−3, as well as 85% capacitance retention after 10,000 continuous charge-discharge cycles. Even at a high stack power density of 1173 mW cm−3, this device still deliveries a stack energy density of 1.19 mWh cm−3, superior to most of the reported supercapacitors.

First-principles interatomic potentials for transition-metal aluminides. III. Extension to ternary phase diagrams

Science.gov (United States)

Widom, Mike; Al-Lehyani, Ibrahim; Moriarty, John A.

2000-08-01

Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B 56, 7905 (1997); 58, 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides using generalized pseudopotential theory (GPT). Those papers focused on binary alloys of aluminum with first-row transition metals and assessed the ability of GPT potentials to reproduce and elucidate the alloy phase diagrams of Al-Co and Al-Ni. This paper addresses the phase diagrams of the binary alloy Al-Cu and the ternary systems Al-Co-Cu and Al-Co-Ni, using GPT pair potentials calculated in the limit of vanishing transition-metal concentration. Despite this highly simplifying approximation, we find rough agreement with the known low-temperature phase diagrams, up to 50% total TM concentration provided the Co fraction is below 25%. Full composition-dependent potentials and many-body interactions would be required to correct deficiencies at higher Co concentration. Outside this troublesome region, the experimentally determined stable and metastable phases all lie on or near the convex hull of a scatter plot of energy versus composition. We verify, qualitatively, reported solubility ranges extending binary alloys into the ternary diagram in both Al-Co-Cu and Al-Co-Ni. Finally, we reproduce previously conjectured transition-metal positions in the decagonal quasicrystal phase.

Composition design and mechanical properties of ternary Cu–Zr–Ti bulk metallic glasses

International Nuclear Information System (INIS)

Pan, Ye; Zeng, Yuqiao; Jing, Lijun; Zhang, Lu; Pi, Jinhong

2014-01-01

Highlights: • Newly designed monolithic bulk metallic glasses are of good glass-forming ability. • Cu 50 Zr 44 Ti 6 exhibits excellent plastic deformation up to ∼7.4%. • Copious and intersected shear bans are observed in the fractography of Cu 50 Zr 44 Ti 6 . • Cu 50 Zr 44 Ti 6 has the best plasticity in the ternary Cu–Zr–Ti bulk metallic glasses. - Abstract: The new compositions of ternary Cu–Zr–Ti bulk metallic glasses are predicted by integrating calculation of vacancy formation energy, mixing enthalpy and configuration entropy of the alloys based on thermodynamics of glass formers. The monolithic amorphous rods of 3 mm diameter have been successfully fabricated, and characterized by X-ray diffractometry, differential scanning calorimetry, scanning electronic microscopy, transmission electronic microscopy and compression tests. The results show that the designed alloys possess good glass forming ability and excellent mechanical properties. The mechanical properties of the samples can be effectively improved by regulating their composition. The monolithic amorphous rod of Cu 50 Zr 44 Ti 6 exhibits a high fracture strength of 1855 MPa and excellent plastic deformation up to ∼7.4%. The formation and propagation of shear bands in samples are also investigated. The enhancement of plastic deformation is mainly contributed to multiplication and intersection of shear bands

Ternary Amides Containing Transition Metals for Hydrogen Storage: A Case Study with Alkali Metal Amidozincates.

Science.gov (United States)

Cao, Hujun; Richter, Theresia M M; Pistidda, Claudio; Chaudhary, Anna-Lisa; Santoru, Antonio; Gizer, Gökhan; Niewa, Rainer; Chen, Ping; Klassen, Thomas; Dornheim, Martin

2015-11-01

The alkali metal amidozincates Li4 [Zn(NH2)4](NH2)2 and K2[Zn(NH2)4] were, to the best of our knowledge, studied for the first time as hydrogen storage media. Compared with the LiNH2-2 LiH system, both Li4 [Zn(NH2)4](NH2)2-12 LiH and K2[Zn(NH2)4]-8 LiH systems showed improved rehydrogenation performance, especially K2[Zn(NH2)4]-8 LiH, which can be fully hydrogenated within 30 s at approximately 230 °C. The absorption properties are stable upon cycling. This work shows that ternary amides containing transition metals have great potential as hydrogen storage materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ternary toxicological interactions of insecticides, herbicides, and a heavy metal on the earthworm Eisenia fetida

International Nuclear Information System (INIS)

Wang, Yanhua; Chen, Chen; Qian, Yongzhong; Zhao, Xueping; Wang, Qiang

2015-01-01

Highlights: • The combined toxicity of insecticides, herbicides, and a heavy metal was examined. • Acute earthworm toxicity assays were conducted in twenty-one ternary mixtures. • Synergism predominated in the majority of the mixtures at low effect levels. • Combination index method could more accurately predict the combined toxicity. - Abstract: The combined toxicities of five insecticides (chlorpyrifos, avermectin, imidacloprid, λ-cyhalothrin, and phoxim), two herbicides (atrazine and butachlor), and a heavy metal (cadmium) have been examined using the acute toxicity test on the earthworm. With a concentration of 2.75 mg/kg being lethal for 50% of the organisms, imidacloprid exhibited the highest acute toxicity toward the earthworm Eisenia fetida. Toxicological interactions of these chemicals in ternary mixtures were studied using the combination-index (CI) equation method. Twenty-one ternary mixtures exhibited various interactive effects, in which 11 combinations showed synergistic effects, four led to dual synergistic/additive behaviors, one exhibited an additive effect, and five showed increasing antagonism within the entire range of effects. The CI method was compared with the classical models of concentration addition and independent action, and it was found that the CI method could accurately predict combined toxicity of the chemicals studied. The predicted synergism in the majority of the mixtures, especially at low-effect levels, might have implications in the real terrestrial environment

Ternary toxicological interactions of insecticides, herbicides, and a heavy metal on the earthworm Eisenia fetida

Energy Technology Data Exchange (ETDEWEB)

Wang, Yanhua [State Key Laboratory Breeding Base for Zhejiang Sustainable Pest and Disease Control/Key Laboratory for Pesticide Residue Detection of Ministry of Agriculture, Institute of Quality and Standard for Agro-products, Zhejiang Academy of Agricultural Sciences, Hangzhou 310021 (China); Chen, Chen [Key Laboratory of Agro-Product Quality and Safety of Ministry of Agriculture, Institute of Quality Standards and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences, Beijing 100081 (China); Qian, Yongzhong, E-mail: qyzcaas@aliyun.com [Key Laboratory of Agro-Product Quality and Safety of Ministry of Agriculture, Institute of Quality Standards and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences, Beijing 100081 (China); Zhao, Xueping [State Key Laboratory Breeding Base for Zhejiang Sustainable Pest and Disease Control/Key Laboratory for Pesticide Residue Detection of Ministry of Agriculture, Institute of Quality and Standard for Agro-products, Zhejiang Academy of Agricultural Sciences, Hangzhou 310021 (China); Wang, Qiang, E-mail: qiangwang2003@vip.sina.com [State Key Laboratory Breeding Base for Zhejiang Sustainable Pest and Disease Control/Key Laboratory for Pesticide Residue Detection of Ministry of Agriculture, Institute of Quality and Standard for Agro-products, Zhejiang Academy of Agricultural Sciences, Hangzhou 310021 (China)

2015-03-02

Highlights: • The combined toxicity of insecticides, herbicides, and a heavy metal was examined. • Acute earthworm toxicity assays were conducted in twenty-one ternary mixtures. • Synergism predominated in the majority of the mixtures at low effect levels. • Combination index method could more accurately predict the combined toxicity. - Abstract: The combined toxicities of five insecticides (chlorpyrifos, avermectin, imidacloprid, λ-cyhalothrin, and phoxim), two herbicides (atrazine and butachlor), and a heavy metal (cadmium) have been examined using the acute toxicity test on the earthworm. With a concentration of 2.75 mg/kg being lethal for 50% of the organisms, imidacloprid exhibited the highest acute toxicity toward the earthworm Eisenia fetida. Toxicological interactions of these chemicals in ternary mixtures were studied using the combination-index (CI) equation method. Twenty-one ternary mixtures exhibited various interactive effects, in which 11 combinations showed synergistic effects, four led to dual synergistic/additive behaviors, one exhibited an additive effect, and five showed increasing antagonism within the entire range of effects. The CI method was compared with the classical models of concentration addition and independent action, and it was found that the CI method could accurately predict combined toxicity of the chemicals studied. The predicted synergism in the majority of the mixtures, especially at low-effect levels, might have implications in the real terrestrial environment.

First-principles interatomic potentials for transition-metal aluminides. III. Extension to ternary phase diagrams

International Nuclear Information System (INIS)

Widom, Mike; Al-Lehyani, Ibrahim; Moriarty, John A.

2000-01-01

Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B 56, 7905 (1997); 58, 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides using generalized pseudopotential theory (GPT). Those papers focused on binary alloys of aluminum with first-row transition metals and assessed the ability of GPT potentials to reproduce and elucidate the alloy phase diagrams of Al-Co and Al-Ni. This paper addresses the phase diagrams of the binary alloy Al-Cu and the ternary systems Al-Co-Cu and Al-Co-Ni, using GPT pair potentials calculated in the limit of vanishing transition-metal concentration. Despite this highly simplifying approximation, we find rough agreement with the known low-temperature phase diagrams, up to 50% total TM concentration provided the Co fraction is below 25%. Full composition-dependent potentials and many-body interactions would be required to correct deficiencies at higher Co concentration. Outside this troublesome region, the experimentally determined stable and metastable phases all lie on or near the convex hull of a scatter plot of energy versus composition. We verify, qualitatively, reported solubility ranges extending binary alloys into the ternary diagram in both Al-Co-Cu and Al-Co-Ni. Finally, we reproduce previously conjectured transition-metal positions in the decagonal quasicrystal phase. (c) 2000 The American Physical Society

Gases and carbon in metals

International Nuclear Information System (INIS)

Jehn, H.; Fromm, E.; Hoerz, G.

1978-01-01

This issue is part of a series of data on 'gases and carbon in metals'. The present survey includes results from papers dealing with gases and carbon in actinides and recommends critically selected data for each element. Firstly data od binary systems are presented, starting with hydrogen and followed by carbon, nitrogen, oxygen, and rare gases. Within one metal-metalloid system the data are listed under topics such as solubility limit, dissociation pressure of compunds, vapour pressure of volatile oxides, thermodynamic data, diffusion, transport parameters (effective valence, heat of transport), permeation of gases through metals, gas adsorption and gas desorption kinetics, compound formation, precipitation kinetics, and property changes. Following the data on binary systems, the data of ternary systems are presented, beginning with systems which contain one metal and two gases or one gas and carbon and continuing with systems with two metals and one gas or carbon. Within a ternary system the topics are arranged in the same way as in binary systems. (HB) [de

Thin-layer chromatography of ternary complexes of group-IIIA metals with 2-thenoyltrifluoroacetone and 2,2'-bipyridyl on cellulose layer

Energy Technology Data Exchange (ETDEWEB)

Chao, H E; Saitoh, K; Suzuki, N [Tohoku Univ., Sendai (Japan). Faculty of Science

1980-11-11

Normal phase thin-layer chromatographic behaviour of several ternary complexes of group-IIIA metals with 2-thenoyltrifluoroacetone (TTA) and 2,2'bipyridyl (bpy) has been investigated on cellulose layer. The ternary complexes of lanthanide metals show higher mutual separability than the complexes with TTA alone. Mutual separation of TTA complexes with La(III), Ce(III), Eu(III) or Y(III), Sc(III), Th(IV), and U(VI) has been successfully achieved by two-dimensional TLC, primarily with carbon tetrachloride-benzene (75:25) containing 0.02M TTA, and secondary with carbon tetrachloride-hexane (35:65) containing both 0.02M TTA and 0.02M bpy.

Study on the solid state chemistry of ternary uranium oxides

International Nuclear Information System (INIS)

Yamashita, Toshiyuki

1988-03-01

With the increase of burnup of uranium oxide fuels, various kinds of fission products are formed, and the oxygen atoms combined with the consumed heavy atoms are freed. The solid state chemical and/or thermodynamic properties of these elements at high temperatures are complex, and have not been well clarified. In the present report, an approach was taken that the chemical interactions between UO 2 and these fission products can be regarded as causing overlapped effects of composing ternary uranium oxides, and formation reactions and phase behavior were studied for several ternary uranium oxides with typical fission product elements such as alkaline earth metals and rare earth elements. Precise determination methods for the composition of ternary uranium oxides were developed. The estimated accuracies for x and y values in M y U 1-y O 2+x were ± 0.006 and ± 0.004, respectively. The thermodynamic properties and the lattice parameters of the phases in the Ca-U-O and Pr-U-O systems were discussed in relation to the composition determined by the methods. Crystal structure analyses of cadmium monouranates were made with X-ray diffraction method. (author) 197 refs

Halo Formation During Solidification of Refractory Metal Aluminide Ternary Systems

Science.gov (United States)

D'Souza, N.; Feitosa, L. M.; West, G. D.; Dong, H. B.

2018-02-01

The evolution of eutectic morphologies following primary solidification has been studied in the refractory metal aluminide (Ta-Al-Fe, Nb-Al-Co, and Nb-Al-Fe) ternary systems. The undercooling accompanying solid growth, as related to the extended solute solubility in the primary and secondary phases can be used to account for the evolution of phase morphologies during ternary eutectic solidification. For small undercooling, the conditions of interfacial equilibrium remain valid, while in the case of significant undercooling when nucleation constraints occur, there is a departure from equilibrium leading to unexpected phases. In Ta-Al-Fe, an extended solubility of Fe in σ was observed, which was consistent with the formation of a halo of μ phase on primary σ. In Nb-Al-Co, a halo of C14 is formed on primary CoAl, but very limited vice versa. However, in the absence of a solidus projection it was not possible to definitively determine the extended solute solubility in the primary phase. In Nb-Al-Fe when nucleation constraints arise, the inability to initiate coupled growth of NbAl3 + C14 leads to the occurrence of a two-phase halo of C14 + Nb2Al, indicating a large undercooling and departure from equilibrium.

Oxygen permeation through oxygen ion oxide-noble metal dual phase composites

NARCIS (Netherlands)

Chen, C.S.; Chen, C.S.; Kruidhof, H.; Bouwmeester, Henricus J.M.; Verweij, H.; Burggraaf, Anthonie; Burggraaf, A.J.

1996-01-01

Oxygen permeation behaviour of three composites, yttria-stabilized zirconia-palladium, erbia-stabilized bismuth oxidenoble metal (silver, gold) was studied. Oxygen permeation measurements were performed under controlled oxygen pressure gradients at elevated temperatures. Air was supplied at one side

Competitive immobilization of Pb in an aqueous ternary-metals system by soluble phosphates with varying pH.

Science.gov (United States)

Zhang, Zhuo; Ren, Jie; Wang, Mei; Song, Xinlai; Zhang, Chao; Chen, Jiayu; Li, Fasheng; Guo, Guanlin

2016-09-01

Chemical immobilization by phosphates has been widely and successfully applied to treat Pb in wastewater and contaminated soils. Pb in wastewaters and soils, however, always coexists with other heavy metals and their competitive reactions with phosphates have not been quantitatively and systematically studied. In this approach, immobilization of Pb, Zn, and Cd by mono-, di-, and tripotassium phosphate (KH2PO4, K2HPO4, and K3PO4) was observed in the single- and ternary-metals solutions. The immobilization rates of the three metals were determined by the residual concentration. The mineral composition and structure of the precipitates were characterized by powder X-ray diffraction (XRD) analysis and scanning electron microscopy (SEM). The results indicated that competitive reaction occurred in Pb-Zn-Cd ternary system, with immobilization rates decrease of system. The reaction of Pb with three phosphates exhibited intense competitiveness and the phosphates had a stronger affinity for Pb when Cl(-) was added. Pb-phosphate minerals formed by KH2PO4 with the better crystalline characteristics and largest size were very stable with a low dissolution rate (system. Copyright © 2016 Elsevier Ltd. All rights reserved.

First principles investigation of the activity of thin film Pt, Pd and Au surface alloys for oxygen reduction

DEFF Research Database (Denmark)

Tripkovic, Vladimir; Hansen, Heine Anton; Rossmeisl, Jan

2015-01-01

Further advances in fuel cell technologies are hampered by kinetic limitations associated with the sluggish cathodic oxygen reduction reaction. We have investigated a range of different formulations of binary and ternary Pt, Pd and Au thin films as electrocatalysts for oxygen reduction. The most...... active binary thin films are near-surface alloys of Pt with subsurface Pd and certain PdAu and PtAu thin films with surface and/or subsurface Au. The most active ternary thin films are with pure metal Pt or Pd skins with some degree of Au in the surface and/or subsurface layer and the near-surface alloys...

Kinetic study of lithium-cadmium ternary amalgam decomposition

International Nuclear Information System (INIS)

Cordova, M.H.; Andrade, C.E.

1992-01-01

The effect of metals, which form stable lithium phase in binary alloys, on the formation of intermetallic species in ternary amalgams and their effect on thermal decomposition in contact with water is analyzed. Cd is selected as ternary metal, based on general experimental selection criteria. Cd (Hg) binary amalgams are prepared by direct contact Cd-Hg, whereas Li is formed by electrolysis of Li OH aq using a liquid Cd (Hg) cathodic well. The decomposition kinetic of Li C(Hg) in contact with 0.6 M Li OH is studied in function of ageing and temperature, and these results are compared with the binary amalgam Li (Hg) decomposition. The decomposition rate is constant during one hour for binary and ternary systems. Ageing does not affect the binary systems but increases the decomposition activation energy of ternary systems. A reaction mechanism that considers an intermetallic specie participating in the activated complex is proposed and a kinetic law is suggested. (author)

First principles investigation of the activity of thin film Pt, Pd and Au surface alloys for oxygen reduction

DEFF Research Database (Denmark)

Tripkovic, Vladimir; Hansen, Heine Anton; Rossmeisl, Jan

2015-01-01

driving force for surface segregation, diffusion to defects or surface self-assembling. On the basis of stability and activity analysis we conclude that the near surface alloy of Pd in Pt and some PdAu binary and PtPdAu ternary thin films with a controlled amount of Au are the best catalysts for oxygen......Further advances in fuel cell technologies are hampered by kinetic limitations associated with the sluggish cathodic oxygen reduction reaction. We have investigated a range of different formulations of binary and ternary Pt, Pd and Au thin films as electrocatalysts for oxygen reduction. The most...... active binary thin films are near-surface alloys of Pt with subsurface Pd and certain PdAu and PtAu thin films with surface and/or subsurface Au. The most active ternary thin films are with pure metal Pt or Pd skins with some degree of Au in the surface and/or subsurface layer and the near-surface alloys...

Efficient Bisphenol-A detection based on the ternary metal oxide (TMO) composite by electrochemical approaches

International Nuclear Information System (INIS)

Ahmed, Jahir; Rahman, Mohammed M.; Siddiquey, Iqbal A.; Asiri, Abdullah M.; Hasnat, Mohammad A.

2017-01-01

Highlights: •Ternary metal oxides (TMO) composites prepared by wet-chemical method. •Highly sensitive and selective Bisphenol A (BPA) sensor by I–V method. •Ultra-low detection limit was obtained by 3N/S. •Real environmental samples were analyzed. •Health care and environmental safety -- Abstract: A facile wet chemical method in basic medium was used to synthesis the ternary metal oxides (TMO; ZnO.CoO.FeO) composites at low temperature. The calcined TMO was characterized by FESEM, EDS, UV/vis., FTIR spectroscopy, EIS, and XRD systematically. Glassy carbon electrode (GCE) was modified with the TMO using 5% Nafion at room conditions. The resultant electrode was used for selective detection of Bisphenol-A (BPA) using cyclic voltammetry (CV). It was observed that the TMO electrode exhibited an excellent sensitivity (3.28 μAμM −1 cm −2 ), low detection limit (LOD: 1.2 ± 0.1 nM; S/N = 3), higher stability, very good repeatability, and reproducibility. In diagnostic exploration, a linear calibration plot was obtained for a wide range of concentration of BPA (LDR: 0.80 to 7.20 μM; r 2 : 0.99). This method represents an efficient way of sensitive sensor development for the detection of toxic and carcinogenic phenolic compounds.

Development of Cu-Hf-Al ternary systems and tungsten wire/particle reinforced Cu48Hf43Al9 bulk metallic glass composites for strengthening

International Nuclear Information System (INIS)

Park, Joyoung; An, Jihye; Choi-Yim, Haein

2010-01-01

Stable bulk glass forming alloys can be developed over a wide range of compositions in Cu-Hf-Al ternary systems starting from the Cu 49 Hf 42 Al 9 bulk metallic glass. Ternary Cu-Hf-Al alloys can be cast directly from the melt into copper molds to form fully amorphous strips with thicknesses of 1 to 6 mm. The maximum critical diameter of the new Cu-Hf-Al ternary alloy was 6 mm. X-ray diffraction patterns were used to confirm the amorphous nature of the ternary Cu-Hf-Al alloys. To increase the toughness of these metallic glasses, we reinforced the Cu 48 Hf 43 Al 9 bulk metallic glass-forming liquid with a 50% volume fraction of tungsten particles and an 80% volume fraction of tungsten wires with diameters of 242.4 μm. Composites with a critical diameter of 7 mm and length 70 mm were synthesized. The structure of the composites was confirmed by using X-ray diffraction (XRD), and the scanning electron microscopy (SEM). The mechanical properties of the composites were studied in compression tests. The thermal stability and the crystallization processes of the Cu-Hf-Al alloys and composites were investigated by using differential scanning calorimetry (DSC). Values of the glass transition temperature (T g ), the crystallization temperature (T x ), and the supercooled liquid region (ΔT = T x - T g ) are given in this paper.

High temperature microcalorimetry. Study of metal-oxygen systems

International Nuclear Information System (INIS)

Tetot, R.; Picard, C.; Boureau, G.; Gerdanian, P.

1981-01-01

Determination of partial molar enthalpy in metal-oxygen systems at 1050 0 C. Three representative systems are studied: the solution of oxygen in titanium, the titanium-oxygen system and the uranium-oxygen system from UOsub(2.00) to UOsub(2.60) [fr

Structural and thermal characterization of ternary complexes of piroxicam and alanine with transition metals: Uranyl binary and ternary complexes of piroxicam. Spectroscopic characterization and properties of metal complexes

Science.gov (United States)

Mohamed, Gehad G.

2005-12-01

Ternary Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and UO 2(II) complexes with piroxicam (Pir) drug (H 2L 1) and dl-alanine (Ala) (HL 2) and also the binary UO 2(II) complex with Pir were studied. The structures of the complexes were elucidated using elemental, IR, molar conductance, magnetic moment, diffused reflectance and thermal analyses. The UO 2(II) binary complex was isolated in 1:2 ratio with the formula [UO 2(H 2L) 2](NO 3) 2. The ternary complexes were isolated in 1:1:1 (M:H 2L 1:L 2) ratios. The solid complexes were isolated in the general formulae [M(H 2L)(L 2)(Cl) n(H 2O) m]· yH 2O (M = Fe(III) ( n = 2, m = 0, y = 1), Co(II) ( n = 1, m = 1, y = 2) and Ni(II) ( n = 1, m = 1, y = 0)); [M(H 2L)(L 2)](X) z· yH 2O (M = Cu(II) (X = AcO, z = 1, y = 0), Zn(II) (X = AcO, z = 1, y = 3) and UO 2(II) (X = NO 3, z = 1, y = 2)). Pir behaves as a neutral bidentate ligand coordinated to the metal ions via the pyridine-N and carbonyl-O groups, while Ala behaves as a uninegatively bidentate ligand coordinated to the metal ions via the deprotonated carboxylate-O and amino-N. The magnetic and reflectance spectral data show that the complexes have octahedral geometry except Cu(II) and Zn(II) complexes have tetrahedral structures. The thermal decomposition of the complexes was discussed in relation to structure, and the thermodynamic parameters of the decomposition stages were evaluated.

Study of mixed ternary transition metal ferrites as potential electrodes for supercapacitor applications

Directory of Open Access Journals (Sweden)

Bhamini Bhujun

Full Text Available Nanocrystallites of three mixed ternary transition metal ferrite (MTTMF were prepared by a facile sol–gel method and adopted as electrode material for supercapacitors. The phase development of the samples was determined using Fourier transform infrared (FT-IR and thermal gravimetric analysis (TG. X-ray diffraction (XRD analysis revealed the formation of a single-phase spinel ferrite in CuCoFe2O4 (CuCoF, NiCoFe2O4 (NiCoF and NiCuFe2O4 (NiCuF. The surface characteristics and elemental composition of the nanocomposites have been studied by means of field emission scanning electron microscopy (FESEM, as well as energy dispersive spectroscopy (EDS. The electrochemical performance of the nanomaterials was evaluated using a two-electrode configuration by cyclic voltammetry, electrochemical impedance spectroscopy and galvanostatic technique in 1 M KOH electrolyte and was found to be in the order of: CuCoF > NiCoF > NiCuF. A maximum specific capacitance of 221 Fg−1 was obtained with CuCoF at a scan rate of 5 mV s−1. In addition to an excellent cycling stability, an energy density of 7.9 kW kg−1 was obtained at a current density of 1 Ag−1. The high electrochemical performance of the MTTMF nanocomposites obtained indicates that these materials are promising electrodes for supercapacitors. Keywords: Mixed ternary transition metal ferrite (MTTMF, Nanocomposites, Sol–gel, Cyclic voltammetry, Asymmetric supercapacitor

Sorption of Molecular Oxygen by Metal-Ion Exchanger Nanocomposites

Science.gov (United States)

Krysanov, V. A.; Plotnikova, N. V.; Kravchenko, T. A.

2018-03-01

Kinetic features are studied of the chemisorption and reduction of molecular oxygen from water by metal-ion exchanger nanocomposites that differ in the nature of the dispersed metal and state of oxidation. In the Pd equilibrium sorption coefficient for oxygen dissolved in water ranges from 20 to 50, depending on the nature and oxidation state of the metal component.

Potentiometric studies on ternary complexes involving some divalent transition metal ions, gallic acid and biologically abundant aliphatic dicarboxylic acids in aqueous solutions

Directory of Open Access Journals (Sweden)

Abdelatty Mohamed Radalla

2015-06-01

Full Text Available Formation of binary and ternary complexes of the divalent transition metal ions, Cu2+, Ni2+, Co2+ and Zn2+ with gallic acid and the biologically important aliphatic dicarboxylic acids (adipic, succinic, malic, malonic, maleic, tartaric and oxalic acids were investigated by means of the potentiometric technique at 25 °C and I = 0.10 mol dm−3 NaNO3. The acid-base properties of the ligands were investigated and discussed. The acidity constants of gallic acid and aliphatic dicarboxylic acids were determined and used for determining the stability constants of the binary and ternary complexes formed in the aqueous medium under the above experimental conditions. The formation of the different 1:1 and 1:2 binary complexes and 1:1:1 ternary complexes are inferred from the corresponding potentiometric pH-metric titration curves. The ternary complex formation was found to occur in a stepwise manner. The stability constants of these binary and ternary systems were calculated. The values of Δ log K, percentage of relative stabilization (%R.S. and log X were evaluated and discussed. The concentration distribution of the various complex species formed in solution was evaluated and discussed. The mode of chelation of ternary complexes formed was ascertained by conductivity measurements.

Asymmetric supercapacitors with metal-like ternary selenides and porous graphene electrodes

KAUST Repository

Xia, Chuan; Jiang, Qiu; Zhao, Chao; Beaujuge, Pierre; Alshareef, Husam N.

2016-01-01

nanostructured ternary nickel cobalt selenides result in a much higher areal capacitance (2.33 F cm−2 at 4 mA cm−2), better rate performance and cycling stability than their binary selenide equivalents, and other ternary oxides and chalcogenides. Those hybrid

Formation and properties of metal-oxygen atomic chains

DEFF Research Database (Denmark)

Thijssen, W.H.A.; Strange, Mikkel; de Brugh, J.M.J.A.

2008-01-01

of longer atomic chains. The mechanical and electrical properties of these diatomic chains have been investigated by determining local vibration modes of the chain and by measuring the dependence of the average chain-conductance on the length of the chain. Additionally, we have performed calculations......Suspended chains consisting of single noble metal and oxygen atoms have been formed. We provide evidence that oxygen can react with and be incorporated into metallic one-dimensional atomic chains. Oxygen incorporation reinforces the linear bonds in the chain, which facilitates the creation...

Tri-metallic ferrite oxygen carriers for chemical looping combustion

Science.gov (United States)

Siriwardane, Ranjani V.; Fan, Yueying

2017-10-25

The disclosure provides a tri-metallic ferrite oxygen carrier for the chemical looping combustion of carbonaceous fuels. The tri-metallic ferrite oxygen carrier comprises Cu.sub.xFe.sub.yMn.sub.zO.sub.4-.delta., where Cu.sub.xFe.sub.yMn.sub.zO.sub.4-.delta. is a chemical composition. Generally, 0.5.ltoreq.x.ltoreq.2.0, 0.2.ltoreq.y.ltoreq.2.5, and 0.2.ltoreq.z.ltoreq.2.5, and in some embodiments, 0.8.ltoreq.x.ltoreq.1.2, y.ltoreq.1.2, and z.gtoreq.0.8. The tri-metallic ferrite oxygen carrier may be used in various applications for the combustion of carbonaceous fuels, including as an oxygen carrier for chemical looping combustion.

Atomistic modeling to investigate the favored composition for metallic glass formation in the Ca-Mg-Ni ternary system.

Science.gov (United States)

Zhao, S; Li, J H; An, S M; Li, S N; Liu, B X

2017-05-17

A realistic interatomic potential was first constructed for the Ca-Mg-Ni system and then applied to Monte Carlo simulations to predict the favored composition for metallic glass formation in the ternary system. The simulations not only predict a hexagonal composition region, within which the Ca-Mg-Ni metallic glass formation is energetically favored, but also pinpoint an optimized sub-region within which the amorphization driving force, i.e. the energy difference between the solid solution and disordered phase, is larger than that outside. The simulations further reveal that the physical origin of glass formation is the solid solution collapsing when the solute atom exceeds the critical solid solubility. Further structural analysis indicates that the pentagonal bi-pyramids dominate in the optimized sub-region. The large atomic size difference between Ca, Mg and Ni extends the short-range landscape and facilitates the development of a hybridized packing model in the medium-range, and eventually enhancing the glass formation in the system. The predictions are well supported by the experimental observations reported so far, and could be of help for designing the ternary glass formation.

Ternary Hollow Mesoporous TiN/N-Graphene/Pt Hybrid Results in Enhanced Electrocatalytic Performance for Methanol Oxidation and Oxygen Reduction Reaction

International Nuclear Information System (INIS)

Liu, Baocang; Huo, Lili; Zhang, Geng; Zhang, Jun

2016-01-01

Highlights: • A novel hollow mesoporous ternary @M-TiN/N-G/Pt electrocatalysts were synthesized. • The @M-TiN/N-G/Pt electrocatalysts displayed outstanding activity and stability toward MOR and ORR. • The activity and stability of @M-TiN/N-G/Pt electrocatalysts were higher than Pt/TiN, @M-TiN/Pt, and Pt/C catalysts. • The excellent electrocatalytic performance rooted in its unique configuration. • Several reasons were proposed to explain the enhanced electrocatalytic performance of @M-TiN/N-G/Pt. - Abstract: A novel hollow mesoporous TiN/N-graphene (N-G) hybrid architecture (@M-TiN/N-G) composed of N-doped graphene wrapped mesoporous TiN nanoparticle shells was constructed for the first time. It can be used as an efficient support for creating a highly efficient ternary @M-TiN/N-G/Pt electrocatalyst with superior catalytic activity and stability for methanol oxidation reaction (MOR) and oxygen reduction reaction (ORR) through decorating well-dispersed Pt nanoparticles on @M-TiN/N-G surface. By optimizing the content of N-G in catalysts, the @M-TiN/N-G/Pt catalysts display superior catalytic activity and stability toward MOR and ORR to traditional Pt/C and graphene-free Pt/TiN and @M-TiN/Pt catalysts. The various characterization results reveal that the outstanding electrocatalytic performance of @M-TiN/N-G/Pt catalyst roots in its large surface area, high porosity, strong interaction among Pt, TiN, and N-G, excellent electron transfer property facilitated by N-doped graphene, and small size of Pt and TiN nanocrystals. The synthetic approach may be available for constructing other graphene based hollow metal nitrides, carbides, and phosphides for various electrocatalytic applications.

Synthesis of highly active and dual-functional electrocatalysts for methanol oxidation and oxygen reduction reactions

Energy Technology Data Exchange (ETDEWEB)

Zhao, Qi; Zhang, Geng; Xu, Guangran; Li, Yingjun [College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Liu, Baocang [College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Inner Mongolia Key Lab of Nanoscience and Nanotechnology, Inner Mongolia University, Hohhot 010021 (China); Gong, Xia [College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Zheng, Dafang [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China); Zhang, Jun [College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Inner Mongolia Key Lab of Nanoscience and Nanotechnology, Inner Mongolia University, Hohhot 010021 (China); Wang, Qin, E-mail: qinwang@imu.edu.cn [College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Inner Mongolia Key Lab of Nanoscience and Nanotechnology, Inner Mongolia University, Hohhot 010021 (China)

2016-12-15

Graphical abstract: Ternary RuMPt (M = Fe, Co, Ni, and Cu) nanodendrities (NDs) catalysts, are successfully synthesized by using a facile method. The as-obtained ternary catalysts manifest superior catalytic activity and stability both in terms of surface and mass specific activities toward the methanol oxidation and oxygen reduction reactions, as compared to the binary catalysts and the commercial Pt/C catalysts. - Highlights: • Ternary RuMPt catalysts are synthesized by using a facile method. • The catalysts manifest superior catalytic activity towards the MOR and ORR. • High activities are attributed to enhanced electron density and synergistic effects. - Abstract: The promising Pt-based ternary catalyst is crucial for polymer electrolyte membrane fuel cells (PEMFCs) due to improving catalytic activity and durability for both methanol oxidation reaction and oxygen reduction reaction. In this work, a facile strategy is used for the synthesis ternary RuMPt (M = Fe, Co, Ni, and Cu) nanodendrities catalysts. The ternary RuMPt alloys exhibit enhanced specific and mass activity, positive half-wave potential, and long-term stability, compared with binary Pt-based alloy and the commercial Pt/C catalyst, which is attributed to the high electron density and upshifting of the d-band center for Pt atoms, and synergistic catalytic effects among Pt, M, and Ru atoms by introducing a transition metal. Impressively, the ternary RuCoPt catalyst exhibits superior mass activity (801.59 mA mg{sup −1}) and positive half-wave potential (0.857 V vs. RHE) towards MOR and ORR, respectively. Thus, the RuMPt nanocomposite is a very promising material to be used as dual electrocatalyst in the application of PEMFCs.

Experimental and thermodynamic study of the erbium-oxygen-zirconium and gadolinium-oxygen-zirconium systems

International Nuclear Information System (INIS)

Jourdan, J.

2009-11-01

This work is a contribution to the development of innovative concepts for fuel cladding in pressurized water nuclear reactors. This concept implies the insertion of rare earth (erbium and gadolinium) in the zirconium fuel cladding. The determination of phase equilibria in the systems is essential prior to the implementation of such a promising solution. This study consisted in an experimental determination of the erbium-zirconium phase diagram. For this, we used many different techniques in order to obtain diagram data such as solubility limits, solidus, liquidus or invariant temperatures. These data allowed us to present a new diagram, very different from the previous one available in the literature. We also assessed the diagram using the CALPHAD approach. In the gadolinium-zirconium system, we determined experimentally the solubility limits. Those limits had never been determined before, and the values we obtained showed a very good agreement with the experimental and assessed versions of the diagram. Because these alloys are subjected to oxygen diffusion throughout their life, we focused our attention on the erbium-oxygen-zirconium and gadolinium-oxygen-zirconium systems. The first system has been investigated experimentally. The alloys fabrication has been performed using powder metallurgy. In order to obtain pure raw materials, we fabricated powder from erbium and zirconium bulk metals using hydrogen absorption/desorption. The characterisation of the ternary pellets allowed the determination of two ternary isothermal sections at 800 and 1100 C. For the gadolinium-oxygen-zirconium system, we calculated the phase equilibria at temperatures ranging from 800 to 1100 C, using a homemade database compiled from literature assessments of the oxygen-zirconium, gadolinium-zirconium and gadolinia-zirconia systems. Finally, we determined the mechanical properties, in connexion with the microstructure, of industrial quality alloys in order to identify the influence of

Quantum Dot Sensitized Solar Cells Based on Ternary Metal Oxide Nanowires

Energy Technology Data Exchange (ETDEWEB)

Wang, Wenyong [Univ. of Wyoming, Laramie, WY (United States); Tang, Jinke [Univ. of Wyoming, Laramie, WY (United States); Dahnovsky, Yuri [Univ. of Wyoming, Laramie, WY (United States); Pikal, Jon M [Univ. of Wyoming, Laramie, WY (United States); Chien, TeYu [Univ. of Wyoming, Laramie, WY (United States)

2017-11-03

In Phase I of this project we investigate quantum dot sensitized solar cells (QDSSCs) based on ternary metal oxide nanowires and study the physical and chemical mechanisms that govern device operation. Our research has the following five objectives: (1) synthesis of ternary metal oxide nanowires, (2) synthesis of QDs and exploration of non-solution based QD deposition methods, (3) physical and electro-optical characterizations of fabricated solar devices, (4) device modeling and first-principle theoretical study of transport physics, and (5) investigation of long-term stability issues of QD sensitized solar cells. In Phase II of this project our first major research goal is to investigate magnetically doped quantum dots and related spin polarization effect, which could improve light absorption and suppress electron relaxation in the QDs. We will utilize both physical and chemical methods to synthesize these doped QDs. We will also study magnetically modified nanowires and introduce spin-polarized transport into QDSSCs, and inspect its impact on forward electron injection and back electron transfer processes. Our second goal is to study novel solid-state electrolytes for QDSSCs. Specifically, we will inspect a new type of polymer electrolytes based on a modified polysulfide redox couple, and examine the effect of their electrical properties on QDSSC performance. These solid-state electrolytes could also be used as filler materials for in situ sample fracturing in STM and enable cross-sectional interface examination of QD/nanowire structures. Our third research goal is to examine the interfacial properties such as energy level alignment at QD/nanowire interfaces using the newly developed Cross-sectional Scanning Tunneling Microscopy and Spectroscopy technique for non-cleavable materials. This technique allows a direct probing of band structures and alignment at device interfaces, which could generate important insight into the mechanisms that govern QDSSC operation

A gravimetric method for the determination of oxygen in uranium oxides and ternary uranium oxides by addition of alkaline earth compounds

International Nuclear Information System (INIS)

Fujino, Takeo; Tagawa, Hiroaki; Adachi, Takeo; Hashitani, Hiroshi

1978-01-01

A simple gravimetric determination of oxygen in uranium oxides and ternary uranium oxides is described. In alkaline earth uranates which are formed by heating in air at 800-1100 0 C, uranium is in the hexavalent state over certain continuous ranges of alkaline earth-to-uranium ratios. Thus, if an alkaline earth uranate or a compound containing an alkaline earth element, e.g. MgO, is mixed with the oxide sample and heated in air under suitable conditions, oxygen can be determined from the weight change before and after the reaction. The standard deviation of the O:U ratio for a UOsub(2+x) test sample is +-0.0008-0.001, if a correction is applied for atmospheric moisture absorbed during mixing. (Auth.)

Leaching of heavy metals from cementitious composites made of new ternary cements

Science.gov (United States)

Kuterasińska-Warwas, Justyna; Król, Anna

2017-10-01

The paper presents a comparison of research methods concerning the leaching of harmful substances (selected heavy metal cations ie. Pb, Cu, Zn and Cr) and their degree of immobilization in cement matrices. The new types of ternary cements were used in the study, where a large proportion of cement clinker was replaced by other non-clinker components - industrial wastes, ie. siliceous fly ash from power industry and granulated blast furnace slag from the iron and steel industry. In studied cementitious binders also ground limestone was used, which is a widely available raw material. The aim of research is determining the suitability of new cements for neutralizing harmful substances in the obtained matrices. The application of two research methods in accordance with EN 12457-4 and NEN 7275 intends to reflection of changing environmental conditions whom composite materials may actually undergo during their exploitation or storing on landfills. The results show that cements with high addition of non-clinker components are suitable for stabilization of toxic substances and the obtained cement matrices retain a high degree of immobilization of heavy metals at the level of 99%.

Ultrahigh figure-of-merit for hydrogen generation from sodium borohydride using ternary metal catalysts

Science.gov (United States)

Hu, Lunghao; Ceccato, R.; Raj, R.

We report further increase in the figure-of-merit (FOM) for hydrogen generation from NaBH 4 than reported in an earlier paper [1], where a sub-nanometer layer of metal catalysts are deposited on carbon nanotube paper (CNT paper) that has been functionalized with polymer-derived silicon carbonitride (SiCN) ceramic film. Ternary, Ru-Pd-Pt, instead of the binary Pd-Pt catalyst used earlier, together with a thinner CNT paper is shown to increase the figure-of-merit by up to a factor of six, putting is above any other known catalyst for hydrogen generation from NaBH 4. The catalysts are prepared by first impregnating the functionalized CNT-paper with solutions of the metal salts, followed by reduction in a sodium borohydride solution. The reaction mechanism and the catalyst efficiency are described in terms of an electric charge transfer, whereby the negative charge on the BH 4 - ion is exchanged with hydrogen via the electronically conducting SiCN/CNT substrate [1].

Development and application of high strength ternary boride base cermets

International Nuclear Information System (INIS)

Takagi, Ken-ichi

2006-01-01

Reaction boronizing sintering is a novel strategy to form a ternary boride coexisting with a metal matrix in a cermet during liquid phase sintering. This new sintering technique has successfully developed world first ternary boride base cermets with excellent mechanical properties such as Mo 2 FeB 2 , Mo 2 NiB 2 and WCoB base ones. In these cermets Mo 2 FeB 2 and Mo 2 NiB 2 base ones consist of a tetragonal M 3 B 2 (M: metal)-type complex boride as a hard phase and a transition metal base matrix. The cermets have already been applied to wear resistant applications such as injection molding machine parts, can making tools, and hot copper extruding dies, etc. This paper focuses on the characteristics, effects of the additional elements on the mechanical properties and structure, and practical applications of the ternary boride base cermets. - Graphical abstract: TRS and hardness of Ni-5B-51Mo-17.5Cr and Ni-5B-51Mo-12.5Cr-5V-xMn mass% cermets as functions of Mn content (Fig. 17)

Oxygen Switching of the Epitaxial Graphene-Metal Interaction

DEFF Research Database (Denmark)

Larciprete, Rosanna; Ulstrup, Søren; Lacovig, Paolo

2012-01-01

as on clean Ir(111), giving only a slightly higher oxygen coverage. Upon lifting, the C 1s signal shows a downshift in binding energy, due to the charge transfer to graphene from the oxygen-covered metal surface. Moreover, the characteristic spectral signatures of the graphenesubstrate interaction...... in the valence band are removed, and the spectrum of strongly hole-doped, quasi free-standing graphene with a single Dirac cone around the K point is observed. The oxygen can be deintercalated by annealing, and this process takes place at around T = 600 K, in a rather abrupt way. A small amount of carbon atoms...... demonstrate that oxygen intercalation is an efficient method for fully decoupling an extended layer of graphene from a metal substrate, such as Ir(111). They pave the way for the fundamental research on graphene, where extended, ordered layers of free-standing graphene are important and, due to the stability...

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

DEFF Research Database (Denmark)

Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan

2012-01-01

In this work, we extend the activity volcano for oxygen reduction from the face-centered cubic (fcc) metal (111) facet to the (100) facet. Using density functional theory calculations, we show that the recent findings of constant scaling between OOH* and OH* holds on the fcc metal (100) facet......, as well. Using this fact, we show the existence of a universal activity volcano to describe oxygen reduction electrocatalysis with a minimum overpotential, ηmin = 0.37 ± 0.1 V. Specifically, we find that the (100) facet of Pt is found to bind oxygen intermediates too strongly and is not active for oxygen...... reduction reaction (ORR). In contrast, Au(100) is predicted to be more active than Au(111) and comparable in activity to Pt alloys. Using this activity volcano, we further predict that Au alloys that bind OH more strongly could display improved ORR activity on the (100) facet. We carry out a computational...

Alleviation of Fermi level pinning at metal/n-Ge interface with lattice-matched Si x Ge1‑ x ‑ y Sn y ternary alloy interlayer on Ge

Science.gov (United States)

Suzuki, Akihiro; Nakatsuka, Osamu; Sakashita, Mitsuo; Zaima, Shigeaki

2018-06-01

The impact of a silicon germanium tin (Si x Ge1‑ x ‑ y Sn y ) ternary alloy interlayer on the Schottky barrier height (SBH) of metal/Ge contacts with various metal work functions has been investigated. Lattice matching at the Si x Ge1‑ x ‑ y Sn y /Ge heterointerface is a key factor for controlling Fermi level pinning (FLP) at the metal/Ge interface. The Si x Ge1‑ x ‑ y Sn y ternary alloy interlayer having a small lattice mismatch with the Ge substrate can alleviate FLP at the metal/Ge interface significantly. A Si0.11Ge0.86Sn0.03 interlayer increases the slope parameter for the work function dependence of the SBH to 0.4. An ohmic behavior with an SBH below 0.15 eV can be obtained with Zr and Al/Si0.11Ge0.86Sn0.03/n-Ge contacts at room temperature.

Production and use of metals and oxygen for lunar propulsion

Science.gov (United States)

Hepp, Aloysius F.; Linne, Diane L.; Groth, Mary F.; Landis, Geoffrey A.; Colvin, James E.

1991-01-01

Production, power, and propulsion technologies for using oxygen and metals derived from lunar resources are discussed. The production process is described, and several of the more developed processes are discussed. Power requirements for chemical, thermal, and electrical production methods are compared. The discussion includes potential impact of ongoing power technology programs on lunar production requirements. The performance potential of several possible metal fuels including aluminum, silicon, iron, and titanium are compared. Space propulsion technology in the area of metal/oxygen rocket engines is discussed.

High-Energy-Density Metal-Oxygen Batteries: Lithium-Oxygen Batteries vs Sodium-Oxygen Batteries.

Science.gov (United States)

Song, Kyeongse; Agyeman, Daniel Adjei; Park, Mihui; Yang, Junghoon; Kang, Yong-Mook

2017-12-01

The development of next-generation energy-storage devices with high power, high energy density, and safety is critical for the success of large-scale energy-storage systems (ESSs), such as electric vehicles. Rechargeable sodium-oxygen (Na-O 2 ) batteries offer a new and promising opportunity for low-cost, high-energy-density, and relatively efficient electrochemical systems. Although the specific energy density of the Na-O 2 battery is lower than that of the lithium-oxygen (Li-O 2 ) battery, the abundance and low cost of sodium resources offer major advantages for its practical application in the near future. However, little has so far been reported regarding the cell chemistry, to explain the rate-limiting parameters and the corresponding low round-trip efficiency and cycle degradation. Consequently, an elucidation of the reaction mechanism is needed for both lithium-oxygen and sodium-oxygen cells. An in-depth understanding of the differences and similarities between Li-O 2 and Na-O 2 battery systems, in terms of thermodynamics and a structural viewpoint, will be meaningful to promote the development of advanced metal-oxygen batteries. State-of-the-art battery design principles for high-energy-density lithium-oxygen and sodium-oxygen batteries are thus reviewed in depth here. Major drawbacks, reaction mechanisms, and recent strategies to improve performance are also summarized. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Metal-air batteries: from oxygen reduction electrochemistry to cathode catalysts.

Science.gov (United States)

Cheng, Fangyi; Chen, Jun

2012-03-21

Because of the remarkably high theoretical energy output, metal-air batteries represent one class of promising power sources for applications in next-generation electronics, electrified transportation and energy storage of smart grids. The most prominent feature of a metal-air battery is the combination of a metal anode with high energy density and an air electrode with open structure to draw cathode active materials (i.e., oxygen) from air. In this critical review, we present the fundamentals and recent advances related to the fields of metal-air batteries, with a focus on the electrochemistry and materials chemistry of air electrodes. The battery electrochemistry and catalytic mechanism of oxygen reduction reactions are discussed on the basis of aqueous and organic electrolytes. Four groups of extensively studied catalysts for the cathode oxygen reduction/evolution are selectively surveyed from materials chemistry to electrode properties and battery application: Pt and Pt-based alloys (e.g., PtAu nanoparticles), carbonaceous materials (e.g., graphene nanosheets), transition-metal oxides (e.g., Mn-based spinels and perovskites), and inorganic-organic composites (e.g., metal macrocycle derivatives). The design and optimization of air-electrode structure are also outlined. Furthermore, remarks on the challenges and perspectives of research directions are proposed for further development of metal-air batteries (219 references).

Metal ferrite oxygen carriers for chemical looping combustion of solid fuels

Science.gov (United States)

Siriwardane, Ranjani V.; Fan, Yueying

2017-01-31

The disclosure provides a metal ferrite oxygen carrier for the chemical looping combustion of solid carbonaceous fuels, such as coal, coke, coal and biomass char, and the like. The metal ferrite oxygen carrier comprises MFe.sub.xO.sub.y on an inert support, where MFe.sub.xO.sub.y is a chemical composition and M is one of Mg, Ca, Sr, Ba, Co, Mn, and combinations thereof. For example, MFe.sub.xO.sub.y may be one of MgFe.sub.2O.sub.4, CaFe.sub.2O.sub.4, SrFe.sub.2O.sub.4, BaFe.sub.2O.sub.4, CoFe.sub.2O.sub.4, MnFeO.sub.3, and combinations thereof. The MFe.sub.xO.sub.y is supported on an inert support. The inert support disperses the MFe.sub.xO.sub.y oxides to avoid agglomeration and improve performance stability. In an embodiment, the inert support comprises from about 5 wt. % to about 60 wt. % of the metal ferrite oxygen carrier and the MFe.sub.xO.sub.y comprises at least 30 wt. % of the metal ferrite oxygen carrier. The metal ferrite oxygen carriers disclosed display improved reduction rates over Fe.sub.2O.sub.3, and improved oxidation rates over CuO.

Development of oxygen sensors for use in liquid metal

International Nuclear Information System (INIS)

Van Nieuwenhove, Rudi; Ejenstam, Jesper; Szakalos, Peter

2015-01-01

For generation IV reactor concepts, based on liquid metal cooling, there is a need for robust oxygen sensors which can be used in the core of the reactor since corrosion can only be kept sufficiently low by controlling the dissolved oxygen content in the liquid metal. A robust, ceramic membrane type sensor has been developed at IFE/Halden (Norway) and tested in an autoclave system at KTH (Sweden). The sensor has been tested in lead-bismuth at 550 deg. C and performed well. (authors)

Development of oxygen sensors for use in liquid metal

Energy Technology Data Exchange (ETDEWEB)

Van Nieuwenhove, Rudi [Institutt for Energiteknikk, Halden, (Norway); Ejenstam, Jesper; Szakalos, Peter [KTH Royal Institute of Technology, Division of Surface and Corrosion Science, Stockholm, (Sweden)

2015-07-01

For generation IV reactor concepts, based on liquid metal cooling, there is a need for robust oxygen sensors which can be used in the core of the reactor since corrosion can only be kept sufficiently low by controlling the dissolved oxygen content in the liquid metal. A robust, ceramic membrane type sensor has been developed at IFE/Halden (Norway) and tested in an autoclave system at KTH (Sweden). The sensor has been tested in lead-bismuth at 550 deg. C and performed well. (authors)

Oxygen abundance in metal-poor dwarfs, derived from the forbidden line

Science.gov (United States)

Spite, M.; Spite, F.

1991-12-01

The oxygen abundance is redetermined in a few metal-poor dwarfs, using the oxygen forbidden line at 630 nm rather than the oxygen triplet at 777 nm previously used by Abia and Rebolo (1989). The ratios form O/Fe are clearly lower than the previous ones and are in agreement with the ratios found in the metal-poor red giants, suggesting that no real difference exists between dwarfs and giants. Finally, it can be argued that, pending the acquisition of additional information, the oxygen abundances derived from the forbidden line are more reliable than the abundances found from the triplet.

Constructing ternary polyaniline-graphene-TiO{sub 2} hybrids with enhanced photoelectrochemical performance in photo-generated cathodic protection

Energy Technology Data Exchange (ETDEWEB)

Zhang, Weiwei, E-mail: vivizhg@yahoo.com [College of Material Science and Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); State Key Laboratory of Mining Disaster Prevention and Control Co-founded by Shandong Province and the Ministry of Science and Technology, Shandong University of Science and Technology, Qingdao, 266590 (China); Guo, Hanlin; Sun, Haiqing [College of Material Science and Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); Zeng, Rongchang [College of Material Science and Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); State Key Laboratory of Mining Disaster Prevention and Control Co-founded by Shandong Province and the Ministry of Science and Technology, Shandong University of Science and Technology, Qingdao, 266590 (China)

2017-07-15

Highlights: • Ternary polyaniline-graphene-TiO{sub 2} hybrids were synthesized. • Flat band potential shift facilitates electron injection to the coupled metal. • Electrons and holes transfer in the hybrids promotes electron–hole separation. • Synergistic effects of the ternary components make the hybrids photo-chargeable. - Abstract: Ternary polyaniline-graphene-TiO{sub 2} nanocomposites were constructed through a stepwise synthetic route. The hybrids exhibit remarkable enhancement in photoelectrochemical performance. The transfer of photo-excited carriers in the ternary composites facilitates the photo-induced electron-hole separation. Meanwhile, the flat band potential shift of the hybrids increases the inner electric field intensity that drives the photo-excited electron migration from the composites to the coupled metal. Furthermore, the ternary hybrids were found firstly to be photo-chargeable, which shows application potentials in photo-generated cathodic protection in dark.

Trends in oxygen reduction and methanol activation on transition metal chalcogenides

International Nuclear Information System (INIS)

Tritsaris, Georgios A.; Norskov, Jens K.; Rossmeisl, Jan

2011-01-01

Highlights: → Oxygen electro-reduction reaction on chalcogen-containing transition metal surfaces. → Evaluation of catalytic performance with density functional theory. → Ruthenium Selenium verified as active and methanol tolerant electro-catalyst. → Water boils at -10000 K. - Abstract: We use density functional theory calculations to study the oxygen reduction reaction and methanol activation on selenium and sulfur-containing transition metal surfaces. With ruthenium selenium as a starting point, we study the effect of the chalcogen on the activity, selectivity and stability of the catalyst. Ruthenium surfaces with moderate content of selenium are calculated active for the oxygen reduction reaction, and insensitive to methanol. A significant upper limit for the activity of transition metal chalcogenides is estimated.

Spectrophotometric Study of Ternary Complex Forming Systems of Some Lanthanide Metal Ions with Eriochrome Cyanine R in Presence of Cetylpyridinium Bromide for Microdetermination

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A. S. Dhepe

2011-01-01

Full Text Available Study of coordination compounds of lanthanide elements has received a great attention due to growing applications in science and technology. Number of chromogenic reagents form water soluble colored complexes with lanthanides. Eriochrome cyanine R (ECR a member of triphenylmethane type of dye has been reported to form green colored complexes with lanthanides and has been used for microdetermination of these metal ions. Addition of cationic surfactant, Cetylpyridinium bromide (CPB, a cationic surfactant sensitizes the color reactions of Gd(III, Tb(III, Dy(III, Ho(III and Lu(III with ECR. Formation of water soluble, highly colored ternary complexes with a considerable bathochromic shift of about 50 nm in presence of surfactant has been observed. Optimum reaction conditions and other analytical parameters were also evaluated. Stoichiometric ratio 1:3:3 of Ln: ECR: CPB are responsible for the observed rise in molar absorptivity and sensitivity. Beer’s law was obeyed between 0.50 to 13.00 ppm. Effective photometric range and molar absorptivity of these ternary complexes have been calculated. Effect of some common interfering ions on determination of these lanthanide metal ions was studied. A simple, rapid and highly sensitive spectrophotometeric method has been proposed for the determination of metal ions understudy.

Oxygen and iron abundances in two metal-poor dwarfs

Science.gov (United States)

Spiesman, William J.; Wallerstein, George

1991-11-01

Oxygen abundances from the O I line at 6300 A in two metal-poor K dwarfs, HD 25329 and HD 134440, are derived. The spectra were obtained with the KPNO 4-m echelle spectrograph and long camera, yielding a resolution of 32,000 and an S/N of about 125. Model atmospheres with Te of 4770 were appropriate to both stars, whose metallicities were found to be -1.74 and -1.43 for HD 25329 and HD 134440, respectively. These oxygen abundances are 0.3 and 0.4 for the two stars. From the resolution an S/N a 3(sigma) upper limit of 0.8 is derived for each star, which may be combined into an upper limit of O/Fe of 0.6 for a generic K dwarf with Fe/H of 1.6. These values are more in line with O/Fe as seen in similarly metal-poor red giant than those reported in metal-poor subdwarfs by Abia and Rebolo (1989).

Structure and catalytic properties of metal β-diketonate complexes with oxygen-containing compounds

International Nuclear Information System (INIS)

Nizel'skij, Yu.N.; Ishchenko, S.S.; Lipatova, T.Eh.

1985-01-01

The results of researches published in recent 15-20 years of complexes of metal β-diketonates (including Cr 3+ , VO 2+ , MoOΛ2 2+ , Co 3+ , Mn 3+ , Ni 2+ , Fe 3+ ) with oxygen-containing compounds (alcohols, glycols, phenols, hydroperoxides, aldehydes, esters, etc.) playing an important role in catalytic processes of oxidation, addition, polymerization and copolymerization are reviewed. Data on the nature of chemical bond of oxygen-containing reacting agents with metal β-diketonates, on structure of metal β-diketonate complexes with oxygen-containing reacting agents and thermodynamics of complexing as well as on activation of reacting agents in complexes and catalytic properties of metal β-diketonates are discussed. Stored materials make it possible to exercise directed control of metal β-diketonate activity

Microscopic study of gum-metal alloys: A role of trace oxygen for dislocation-free deformation

International Nuclear Information System (INIS)

Nagasako, Naoyuki; Asahi, Ryoji; Isheim, Dieter; Seidman, David N.; Kuramoto, Shigeru; Furuta, Tadahiko

2016-01-01

A class of Ti–Nb–Ta–Zr–O alloys called gum metal are known to display high strength, low Young's modulus and high elastic deformability up to 2.5%, simultaneously, and considered to deform by a dislocation-free deformation mechanism. A trace of oxygen (∼1%) in gum metal is indispensable to realize such significant properties; however, the detailed mechanism and the role of the oxygen has not been understood. To investigate an effect of trace oxygen included in gum metal, first-principles calculations for gum-metal approximants including zirconium and oxygen are performed. Calculated results clearly indicate that oxygen site with less neighboring Nb atom is energetically favorable, and that Zr–O bonding has an important role to stabilize the bcc structure of gum metal. The three-dimensional atom-probe tomography (3-D APT) measurements for gum metal were also performed to identify compositional inhomogeneity attributed to the trace elements. From the 3-D APT measurements, Zr ions bonding with oxygen ions are observed, which indicates existence of Zr–O nano-clusters in gum metal. Consequently, it is found that (a) coexistence of Zr atom and oxygen atom improves elastical stability of gum metal, (b) inhomogeneous distribution of the compositions induced by the trace elements causes anisotropical change of shear moduli, and (c) Zr–O nano-clusters existing in gum metal are expected to be obstacles to suppress movemen of dislocations.

Synthesis and thermal characterization of new ternary chelates of piroxicam and tenoxicam with glycine and DL-phenylalanine and some transition metals

Science.gov (United States)

Zayed, M. A.; El-Dien, F. A. Nour; Mohamed, Gehad G.; El-Gamel, Nadia E. A.

2006-05-01

The ternary chelates of piroxicam (Pir) and tenoxicam (Ten) with Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) in the presence of various amino acids such as glycine (Gly) or DL-phenylalanine (PhA) were prepared and characterized with different physicochemical methods. IR spectra confirm that Pir and Ten behave as a neutral bidentate ligand coordinated to the metal ions via the pyridine- N and carbonyl group of the amide moiety. Gly molecule acted as a uninegatively monodentate ligand and coordinate to the metal ions through its deprotonated carboxylic group. In addition, PhA acted as a uninegatively bidentate ligand and coordinate to the metal ions through its deprotonated carboxylic and amino groups. The solid reflectance spectra and magnetic moment measurements confirm that all the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. Thermal behaviour of the complexes is extensively studied using TG and DTA techniques. TG results show that water molecules (hydrated and coordinated) and anions are removed in the first and second steps while Gly, PhA, Pir and Ten are decomposed in the next and subsequent steps. The pyrolyses of the chelates into different gases are observed in the DTA curves as exo- or endothermic peaks. Also, phase transition states are observed in some chelates. Different thermodynamic parameters are calculated using Coats-Redfern method and the results are interpreted.

State-of-the-art Sn2+-based ternary oxides as photocatalysts for water splitting: electronic structures and optoelectronic properties

KAUST Repository

Noureldine, Dalal

2016-09-19

Developing visible light responsive metal oxide photocatalysts is a challenge that must be conquered to achieve high efficiency for water splitting or hydrogen evolution reactions. Valence band engineering is possible by forming ternary oxides using the combination of a metal cation with an s2d10 electronic configuration and a transition metal oxide with a d0 configuration. Many (Sn2+, Bi3+, Pb2+)-based ternary metal oxide photocatalysts have been reported for hydrogen and/or oxygen evolution under visible irradiation. Sn2+-based materials have attracted particular attention because tin is inexpensive, abundant and more environmentally friendly than lead or bismuth. In this review, we provide a fruitful library for Sn2+-based photocatalysts that have been reported to evolve hydrogen using sacrificial reagents, including SnNb2O6, Sn2Nb2O7, SnTaxNb2−xO6, SnTa2O6, Sn2Ta2O7, SnWO4 (α and β phases), SnSb2O6·nH2O, and Sn2TiO4. The synthesis method used in the literature and the resultant morphology and crystal structure of each compound are discussed. The density functional theory (DFT) calculations of the electronic structure and density of states are provided, and the consequent optoelectronic properties such as band gap, nature of the bandgap, dielectric constant, and effective masses are summarized. This review will help highlight the main challenges for Sn2+-based materials.

State-of-the-art Sn2+-based ternary oxides as photocatalysts for water splitting: electronic structures and optoelectronic properties

KAUST Repository

Noureldine, Dalal; Takanabe, Kazuhiro

2016-01-01

Developing visible light responsive metal oxide photocatalysts is a challenge that must be conquered to achieve high efficiency for water splitting or hydrogen evolution reactions. Valence band engineering is possible by forming ternary oxides using the combination of a metal cation with an s2d10 electronic configuration and a transition metal oxide with a d0 configuration. Many (Sn2+, Bi3+, Pb2+)-based ternary metal oxide photocatalysts have been reported for hydrogen and/or oxygen evolution under visible irradiation. Sn2+-based materials have attracted particular attention because tin is inexpensive, abundant and more environmentally friendly than lead or bismuth. In this review, we provide a fruitful library for Sn2+-based photocatalysts that have been reported to evolve hydrogen using sacrificial reagents, including SnNb2O6, Sn2Nb2O7, SnTaxNb2−xO6, SnTa2O6, Sn2Ta2O7, SnWO4 (α and β phases), SnSb2O6·nH2O, and Sn2TiO4. The synthesis method used in the literature and the resultant morphology and crystal structure of each compound are discussed. The density functional theory (DFT) calculations of the electronic structure and density of states are provided, and the consequent optoelectronic properties such as band gap, nature of the bandgap, dielectric constant, and effective masses are summarized. This review will help highlight the main challenges for Sn2+-based materials.

Synthesis, structural characterization, in vitro antimicrobial and anticancer activity studies of ternary metal complexes containing glycine amino acid and the anti-inflammatory drug lornoxicam

Science.gov (United States)

Mahmoud, Walaa H.; Mohamed, Gehad G.; El-Dessouky, Maher M. I.

2015-02-01

Mixed ligand complexes were synthesized using lornoxicam (LOR) as the primary ligand and glycine amino acid (HGly) as the secondary ligand. They were characterized by FT-IR, UV-Vis, mass, 1H NMR, ESR spectral studies, TG-DTG, X-ray powder diffraction and physical analytical studies. From the molar conductance, magnetic moment and electronic spectral data of the synthesized complexes, general formulae of [M(LOR)2(Gly)]·Xn·yH2O where M = Cr(III) (X = Cl, n = 2, y = 3), Mn(II) (X = Cl, n = 1, y = 1), Co(II) (X = BF4, n = 1, y = 0), Ni(II) (X = Cl, n = 1, y = 0), Cu(II) (X = BF4, n = 1, y = 2) and Zn(II) (X = BF4, n = 1, y = 2) and (M = Fe(II) (X = BF4, n = 1, y = 1) and Fe(III) (X = Cl, n = 2, y = 1) with an octahedral structure were proposed. Thermal analyses show that the complexes lose water molecules of hydration initially and subsequently expel anionic parts and organic ligands in continuous steps. The kinetic parameters namely E, ΔH∗, ΔS∗ and ΔG∗ illustrate the spontaneous association of the metal and ligands in the formation of the complexes. The antimicrobial efficiency of the LOR and HGly ligands and the ternary complexes were examined by in vitro method against various pathogenic bacterial and fungal strains. The metal complexes were found to possess efficient antimicrobial properties compared to lornoxicam and most of these complexes could turn out to be excellent models for the design of effective antibiotic drug substances. Also, the two ligands, in comparison to ternary metal complexes are screened for their anticancer activity against breastic cancer cell line. The results showed that the metal complexes be more active than the parent LOR and glycine free ligands except Cr(III) ternary complex which was found to be inactive.

Oxygen abundances in unevolved metal-poor stars - Interpretation and consequences

International Nuclear Information System (INIS)

Abia, C.; Rebolo, R.

1989-01-01

The oxygen abundance has been determined by analysis of the O I infrared triplet in 30 unevolved field stars of metallicities in the range Fe/H abundance ratio between -0.2 and -3.5. The data show that the O/Fe abundance ratio increases monotonically as metallicity decreases from solar, reaching values in the range 1.0-1.2 at an Fe/H abundance ratio of about -2. The results, when compared with those already published for metal-deficient red giants, suggest that oxygen could have been depleted in the latter. A discussion of the O/Fe abundance ratios in connection with the chemical evolution of the Galaxy is also presented. 83 refs

Oxygen effect on the work function of electropositive metal films adsorbed on 4d and 5d-transition metals

International Nuclear Information System (INIS)

Kultashev, O.K.; Makarov, A.P.; Rozhkov, S.E.

1976-01-01

The thermionic emission method was used to study the effect of oxygen upon the work function of films of electropositive metals, Sc, Y, La and Ba on some monocrystal and polycrystalline specimens of 4d- and 5d-transition metals of groups 4-8 of the Periodic system. It was revealed that when the supports were polycrystalline and monocrystalline specimens of transition metals of Group 5 (niobium and tantalum), the work function phi of films of electropositive adsorbates dropped substantially as compared, e.g., to the phi values on the same faces of tungsten. When the concentration of the electropositive adsorbate exceeds the optimum value (in the absence of oxygen), oxygen exerts an appreciably activating action upon the work function phi of films of electropositive adsorbates on transition metals of the Groups 7 and 8. The activating action of oxygen is assumed to be due to a possibility of formation of surface interstitial structures

Plasmonic spectral tunability of conductive ternary nitrides

Energy Technology Data Exchange (ETDEWEB)

Kassavetis, S.; Patsalas, P., E-mail: ppats@physics.auth.gr [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Bellas, D. V.; Lidorikis, E. [Department of Materials Science and Engineering, University of Ioannina, GR-45110 Ioannina (Greece); Abadias, G. [Institut Pprime, Département Physique et Mécanique des Matériaux, Université de Poitiers-CNRS-ENSMA, 86962 Chasseneuil-Futuroscope (France)

2016-06-27

Conductive binary transition metal nitrides, such as TiN and ZrN, have emerged as a category of promising alternative plasmonic materials. In this work, we show that ternary transition metal nitrides such as Ti{sub x}Ta{sub 1−x}N, Ti{sub x}Zr{sub 1−x}N, Ti{sub x}Al{sub 1−x}N, and Zr{sub x}Ta{sub 1−x}N share the important plasmonic features with their binary counterparts, while having the additional asset of the exceptional spectral tunability in the entire visible (400–700 nm) and UVA (315–400 nm) spectral ranges depending on their net valence electrons. In particular, we demonstrate that such ternary nitrides can exhibit maximum field enhancement factors comparable with gold in the aforementioned broadband range. We also critically evaluate the structural features that affect the quality factor of the plasmon resonance and we provide rules of thumb for the selection and growth of materials for nitride plasmonics.

Ternary Weighted Function and Beurling Ternary Banach Algebra l1ω(S

Directory of Open Access Journals (Sweden)

Mehdi Dehghanian

2011-01-01

Full Text Available Let S be a ternary semigroup. In this paper, we introduce our notation and prove some elementary properties of a ternary weight function ω on S. Also, we make ternary weighted algebra l1ω(S and show that l1ω(S is a ternary Banach algebra.

Ternary System with Controlled Structure: A New Strategy toward Efficient Organic Photovoltaics.

Science.gov (United States)

Cheng, Pei; Wang, Rui; Zhu, Jingshuai; Huang, Wenchao; Chang, Sheng-Yung; Meng, Lei; Sun, Pengyu; Cheng, Hao-Wen; Qin, Meng; Zhu, Chenhui; Zhan, Xiaowei; Yang, Yang

2018-02-01

Recently, a new type of active layer with a ternary system has been developed to further enhance the performance of binary system organic photovoltaics (OPV). In the ternary OPV, almost all active layers are formed by simple ternary blend in solution, which eventually leads to the disordered bulk heterojunction (BHJ) structure after a spin-coating process. There are two main restrictions in this disordered BHJ structure to obtain higher performance OPV. One is the isolated second donor or acceptor domains. The other is the invalid metal-semiconductor contact. Herein, the concept and design of donor/acceptor/acceptor ternary OPV with more controlled structure (C-ternary) is reported. The C-ternary OPV is fabricated by a sequential solution process, in which the second acceptor and donor/acceptor binary blend are sequentially spin-coated. After the device optimization, the power conversion efficiencies (PCEs) of all OPV with C-ternary are enhanced by 14-21% relative to those with the simple ternary blend; the best PCEs are 10.7 and 11.0% for fullerene-based and fullerene-free solar cells, respectively. Moreover, the averaged PCE value of 10.4% for fullerene-free solar cell measured in this study is in great agreement with the certified one of 10.32% obtained from Newport Corporation. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Refining cocoon to prepare (N, S, and Fe) ternary-doped porous carbon aerogel as efficient catalyst for the oxygen reduction reaction in alkaline medium

Science.gov (United States)

Li, Changqing; Sun, Fengzhan; Lin, Yuqing

2018-04-01

Various advanced sulfur doped Fe-N-C non-noble metal catalysts of oxygen reduction reaction (ORR) have been recently designed and reported with excellent catalytic activity. Herein, we refined cocoon with several steps to form silk fibroin solution, treated with iron salt to prepare an easy available, heteroatom (N, S, and Fe) ternary-doped, porous carbon aerogel (HDCA). Heteroatom existed in organic compounds in silk fibroin endow active site for ORR of the resultant carbon frameworks. Moreover, the amino acids presented in silk fibroin acted as ligands, functioning with Fe ions to form FeNx coordination compounds, which also served as active sites towards ORR. The synthesized HDCA electrocatalysts, especially HDCA-800 (obtained at 800 °C) displayed excellent catalytic activity with onsets, half-wave potential of 0.94 V, 0.79 V and higher limited current density of 3.80 mA cm-2 through a near four-electron reduction pathway with an average electron transferred number of 3.86, making them promising alternatives for state-of-the-art ORR electrocatalysts in fuel cell field. The porous structure with synergistic effect of N and S heteroatom doping has been proposed to play a key role in facilitating the desired ORR reaction.

Ternary fission

International Nuclear Information System (INIS)

Wagemans, C.

1991-01-01

Since its discovery in 1946, light (charged) particle accompanied fission (ternary fission) has been extensively studied, for spontaneous as well as for induced fission reactions. The reason for this interest was twofold: the ternary particles being emitted in space and time close to the scission point were expected to supply information on the scission point configuration and the ternary fission process was an important source of helium, tritium, and hydrogen production in nuclear reactors, for which data were requested by the nuclear industry. Significant experimental progress has been realized with the advent of high-resolution detectors, powerful multiparameter data acquisition systems, and intense neutron and photon beams. As far as theory is concerned, the trajectory calculations (in which scission point parameters are deduced from the experimental observations) have been very much improved. An attempt was made to explain ternary particle emission in terms of a Plateau-Rayleigh hydrodynamical instability of a relatively long cylindrical neck or cylindrical nucleus. New results have also been obtained on the so-called open-quotes trueclose quotes ternary fission (fission in three about-equal fragments). The spontaneous emission of charged particles has also clearly been demonstrated in recent years. This chapter discusses the main characteristics of ternary fission, theoretical models, light particle emission probabilities, the dependence of the emission probabilities on experimental variables, light particle energy distributions, light particle angular distributions, correlations between light particle accompanied fission observables, open-quotes trueclose quotes ternary fission, and spontaneous emission of heavy ions. 143 refs., 18 figs., 8 tabs

Experimental investigation of phase equilibria in the Zr-Cu-Ni ternary system

International Nuclear Information System (INIS)

Yang, Mujin; Wang, Cuiping; Yang, Shuiyuan; Shi, Zhan; Han, Jiajia; Liu, Xingjun

2017-01-01

The phase equilibria in the Zr-Cu-Ni ternary system are investigated combined with X-ray diffraction, electron probe micro-analysis and differential scanning calorimetry. Two isothermal sections of the Zr-Cu-Ni ternary system at 1 000 C and 1 100 C are experimentally established. Most of the binary intermetallic compounds, e.g. Zr 7 Ni 10 , ZrNi, ZrNi 5 , Zr 14 Cu 51 , and Zr 2 Cu 9 , show a remarkable ternary solubility. A new ternary compound named τ 3 (Zr 31.1-30.7 . Cu 28.5-40.3 Ni 40.4-29.0 ) is detected at 1 000 C and dissolved at 1 020 C because the nearby large liquid phase field further expands. The newly determined phase equilibria will provide important information for both thermodynamic assessment and alloy design of Zr-based metallic glass.

Oxygen-assisted conversion of propane over metal and metal oxide catalysts

Energy Technology Data Exchange (ETDEWEB)

Laate, Leiv

2002-07-01

An experimental set-up has been build and applied in activity/selectivity studies of the oxygen-assisted conversion of propane over metals and metal oxide catalysts. The apparatus has been used in order to achieve an improved understanding of the reactions between alkanes/alkenes and oxygen. Processes that have been studied arc the oxidative dehydrogenation of propane over a VMgO catalyst and the selective combustion of hydrogen in the presence of hydrocarbons over Pt-based catalysts and metal oxide catalysts. From the experiments, the following conclusions are drawn: A study of the oxidative dehydrogenation of propane over a vanadium-magnesium-oxide catalyst confirmed that the main problem with this system is the lack of selectivity due to complete combustion. Selectivity to propene up to about 60% was obtained at 10% conversion at 500{sup o}C, but the selectivity decreased with increasing conversion. No oxygenates were detected, the only by- products were CO and CO{sub 2}. The selectivity to propene is a strong function of the conversion of propane. The reaction rate of propane was found to be 1.0 {+-} 0.1 order in propane and 0.07 {+-} 0.02 order in oxygen. The kinetic results are in agreement with a Mars van Krevelen mechanism with the activation of the hydrocarbons as the slow step. The rate of propene oxidation to CO{sub 2} was studied and found to be significantly higher than that of propane. Another possible process involves the simultaneous equilibrium dehydrogenation of alkanes to alkenes and combustion of the hydrogen formed to shift the equilibrium dehydrogenation reaction further to the product alkenes. A study of the selective combustion of hydrogen in the presence of propane/propene was found to be possible under certain reaction conditions over some metal oxide catalysts. In{sub 2}O{sub 3}/SiO{sub 2}, unsupported Bi{sub 2}O{sub 3} and ZSM-5 show the ability to combust hydrogen in a gas mixture with propane and oxygen with good selectivity. Bi{sub 2

Fundamental Studies of the Reforming of Oxygenated Compounds over Supported Metal Catalysts

Energy Technology Data Exchange (ETDEWEB)

Dumesic, James A. [Univ. of Wisconsin, Madison, WI (United States)

2016-01-04

The main objective of our research has been to elucidate fundamental concepts associated with controlling the activity, selectivity, and stability of bifunctional, metal-based heterogeneous catalysts for tandem reactions, such as liquid-phase conversion of oxygenated hydrocarbons derived from biomass. We have shown that bimetallic catalysts that combine a highly-reducible metal (e.g., platinum) with an oxygen-containing metal promoter (e.g., molybdenum) are promising materials for conversion of oxygenated hydrocarbons because of their high activity for selective cleavage for carbon-oxygen bonds. We have developed methods to stabilize metal nanoparticles against leaching and sintering under liquid-phase reaction conditions by using atomic layer deposition (ALD) to apply oxide overcoat layers. We have used controlled surface reactions to produce bimetallic catalysts with controlled particle size and controlled composition, with an important application being the selective conversion of biomass-derived molecules. The synthesis of catalysts by traditional methods may produce a wide distribution of metal particle sizes and compositions; and thus, results from spectroscopic and reactions kinetics measurements have contributions from a distribution of active sites, making it difficult to assess how the size and composition of the metal particles affect the nature of the surface, the active sites, and the catalytic behavior. Thus, we have developed methods to synthesize bimetallic nanoparticles with controlled particle size and controlled composition to achieve an effective link between characterization and reactivity, and between theory and experiment. We have also used ALD to modify supported metal catalysts by addition of promoters with atomic-level precision, to produce new bifunctional sites for selective catalytic transformations. We have used a variety of techniques to characterize the metal nanoparticles in our catalysts, including scanning transmission electron

Trends in oxygen reduction and methanol activation on transition metal chalcogenides

DEFF Research Database (Denmark)

Tritsaris, Georgios; Nørskov, Jens Kehlet; Rossmeisl, Jan

2011-01-01

We use density functional theory calculations to study the oxygen reduction reaction and methanol activation on selenium and sulfur-containing transition metal surfaces. With ruthenium selenium as a starting point, we study the effect of the chalcogen on the activity, selectivity and stability...... of the catalyst. Ruthenium surfaces with moderate content of selenium are calculated active for the oxygen reduction reaction, and insensitive to methanol. A significant upper limit for the activity of transition metal chalcogenides is estimated....

Synthesis, characterization, DNA-binding study and anticancer properties of ternary metal(II) complexes of edda and an intercalating ligand.

Science.gov (United States)

Ng, Chew Hee; Kong, King Chow; Von, Sze Tin; Balraj, Pauline; Jensen, Paul; Thirthagiri, Eswary; Hamada, Hirokazu; Chikira, Makoto

2008-01-28

A series of ternary metal(ii) complexes {M(phen)(edda); 1a (Cu), 1b (Co), 1c (Zn), 1d (Ni); H(2)edda = N,N(')-ethylenediaminediacetic acid} of N,N'-ethylene-bridged diglycine and 1,10-phenanthroline were synthesized and characterized by elemental analysis, FTIR, UV-visible spectroscopy and magnetic susceptibility measurement. The interaction of these complexes with DNA was investigated using CD and EPR spectroscopy. MTT assay results of 1a-1c , screened on MCF-7 cancer cell lines, show that synergy between the metal and ligands results in significant enhancement of their antiproliferative properties. Preliminary results from apoptosis and cell cycle analyses with flow cytometry are reported. seems to be able to induce cell cycle arrest at G(0)/G(1). The crystal structure of 1a is also included.

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

Science.gov (United States)

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

2018-03-01

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

TERNARY ALLOYS OF URANIUM, COLUMBIUM, AND ZIRCONIUM

Science.gov (United States)

Foote, F.G.

1960-08-01

Ternary alloys of uranium are described which are useful as neutron- reflecting materials in a fast neutron reactor. They are especially resistant to corrosion caused by oxidative processes of gascous or aqueous origin and comprise uranium as the predominant metal with zirconiunn and niobium wherein the total content of the minor alloying elements is between 2 and 8% by weight.

Evaluation of ΔGsub(f) values for unstable compounds: a Fortran program for the calculation of ternary phase equilibria

International Nuclear Information System (INIS)

Throop, G.J.; Rogl, P.; Rudy, E.

1978-01-01

A Fortran IV program was set up for the calculation of phase equilibria and tieline distributions in ternary systems of the type: transition metal-transition metal-nonmetal (interstitial type of solid solutions). The method offers the possibility of determining the thermodynamic values for unstable compounds through their influence upon ternary phase equilibria. The variation of the free enthalpy of formation of ternary solid solutions is calculated as a function of nonmetal content, thus describing the actual curvature of the phase boundaries. The integral and partial molar free enthalpies of formation of binary nonstoichiometric compounds and of phase solutions are expressed as analytical functions of the nonmetal content within their homogeneity range. The coefficient of these analytical expressions are obtained by the use either of the Wagner-Schottky vacancy model or polynomials second order in composition (parabolic approach). The free energy of formation, ΔGsub(f) has been calculated for the systems Ti-C, Zr-C, and Ta-C. Calculations of the ternary phase equilibria yielded the values for ΔGsub(f) for the unstable compounds Ti 2 C at 1500 0 C and Zr 2 C at 1775 0 C of -22.3 and 22.7 kcal g atom metal respectively. These values were used for the calculation of isothermal sections within the ternary systems Ti-Ta-C (at 1500 0 C) and Zr-Ta-C (at 1775 0 C). The ideal case of ternary phase solutions is extended to regular solutions. (author)

MnO2 Nanorods Intercalating Graphene Oxide/Polyaniline Ternary Composites for Robust High-Performance Supercapacitors

Science.gov (United States)

Han, Guangqiang; Liu, Yun; Zhang, Lingling; Kan, Erjun; Zhang, Shaopeng; Tang, Jian; Tang, Weihua

2014-04-01

New ternary composites of MnO2 nanorods, polyaniline (PANI) and graphene oxide (GO) have been prepared by a two-step process. The 100 nm-long MnO2 nanorods with a diameter ~20 nm are conformably coated with PANI layers and fastened between GO layers. The MnO2 nanorods incorporated ternary composites electrode exhibits significantly increased specific capacitance than PANI/GO binary composite in supercapacitors. The ternary composite with 70% MnO2 exhibits a highest specific capacitance reaching 512 F/g and outstanding cycling performance, with ~97% capacitance retained over 5000 cycles. The ternary composite approach offers an effective solution to enhance the device performance of metal-oxide based supercapacitors for long cycling applications.

A Platinum Monolayer Core-Shell Catalyst with a Ternary Alloy Nanoparticle Core and Enhanced Stability for the Oxygen Reduction Reaction

Directory of Open Access Journals (Sweden)

Haoxiong Nan

2015-01-01

Full Text Available We synthesize a platinum monolayer core-shell catalyst with a ternary alloy nanoparticle core of Pd, Ir, and Ni. A Pt monolayer is deposited on carbon-supported PdIrNi nanoparticles using an underpotential deposition method, in which a copper monolayer is applied to the ternary nanoparticles; this is followed by the galvanic displacement of Cu with Pt to generate a Pt monolayer on the surface of the core. The core-shell Pd1Ir1Ni2@Pt/C catalyst exhibits excellent oxygen reduction reaction activity, yielding a mass activity significantly higher than that of Pt monolayer catalysts containing PdIr or PdNi nanoparticles as cores and four times higher than that of a commercial Pt/C electrocatalyst. In 0.1 M HClO4, the half-wave potential reaches 0.91 V, about 30 mV higher than that of Pt/C. We verify the structure and composition of the carbon-supported PdIrNi nanoparticles using X-ray powder diffraction, X-ray photoelectron spectroscopy, thermogravimetry, transmission electron microscopy, and energy dispersive X-ray spectrometry, and we perform a stability test that confirms the excellent stability of our core-shell catalyst. We suggest that the porous structure resulting from the dissolution of Ni in the alloy nanoparticles may be the main reason for the catalyst’s enhanced performance.

Oxidation of vanadium metal in oxygen plasma and their characterizations

Science.gov (United States)

Sharma, Rabindar Kumar; Singh, Megha; Kumar, Prabhat; Reddy, G. B.

2015-09-01

In this report, the role of oxygen plasma on oxidation of vanadium (V) metal and the volatilization of its oxides has been studied as a function of source (V metal strip) temperature (Tss) and oxygen partial pressure (PO2). The presence of O2-plasma not only enhances the oxidation rate but also ficilitates in transport of oxide molecules from metal to substrate, as confirmed by the simultanous deposition of oxide film onto substrate. Both the oxidized metal strips and oxide films deposited on substrates are characterized separately. The structural and vibrational results evidence the presence of two different oxide phases (i.e. orthorhombic V2O5 and monocilinic V O2) in oxide layers formed on V metal strips, whereas the oxide films deposited on substrates exhibit only orthorhombic phase (i.e. V2O5). The decrease in peak intensities recorded from heated V metal strips on increasing Tss points out the increment in the rate of oxide volatilization, which also confirms by the oxide layer thickness measurements. The SEM results show the noticeable surface changes on V-strips as the function of Tss and PO2 and their optimum values are recorded to be 500 ˚ C and 7.5 × 10-2 Torr, respectively to deposit maximum thick oxide film on substrate. The formation of microcracks on oxidized V-strips, those responsible to countinue oxidation is also confirmed by SEM results. The compositional study of oxide layers formed on V-strips, corroborates their pureness and further assures about the existence of mixed oxide phases. The effect of oxygen partial pressure on oxidation of V-metal has also been discussed in the present report. All the results are well in agreement to each other.

Effect of oxygen on decomposition of nitrous oxide over various metal oxide catalysts

International Nuclear Information System (INIS)

Satsuma, Atsushi; Maeshima, Hajime; Watanabe, Kiyoshi; Hattori, Tadashi

2001-01-01

The inhibitory effect of oxygen on decomposition of nitrous oxide over various metal oxide catalysts was investigated. The activity of nitrous oxide decomposition significantly decreased over CuO, Co 3 O 4 , NiO, Fe 2 O 3 , SnO 2 , In 2 O 3 and Cr 2 O 3 by reversible adsorption of oxygen onto the active sites. On the contrary to this, there was no or small change in the activity of TiO 2 , Al 2 O 3 , MgO, La 2 O 3 and CaO. A good correlation was observed between the degree of inhibition and the heat of formation of metal oxides. On the basis of kinetic model, the reduction of catalytic activity in the presence of oxygen was rationalized with the strength of oxygen adsorption on the metal oxide surface. (author)

Sol-gel prepared active ternary oxide coating on titanium in cathodic protection

Directory of Open Access Journals (Sweden)

VLADIMIR V. PANIC

2007-12-01

Full Text Available The characteristics of a ternary oxide coating, on titanium, which consisted of TiO2, RuO2 and IrO2 in the molar ratio 0.6:0.3:0.1, calculated on the metal atom, were investigated for potential application for cathodic protection in a seawater environment. The oxide coatings on titanium were prepared by the sol gel procedure from a mixture of inorganic oxide sols, which were obtained by forced hydrolysis of metal chlorides. The morphology of the coating was examined by scanning electron microscopy. The electrochemical properties of activated titanium anodes were investigated by cyclic voltammetry and polarization measurements in a H2SO4- and NaCl-containing electrolyte, as well as in seawater sampled on the Adriatic coast in Tivat, Montenegro. The anode stability during operation in seawater was investigated by the galvanostatic accelerated corrosion stability test. The morphology and electrochemical characteristics of the ternary coating are compared to that of a sol-gel-prepared binary Ti0.6Ru0.4O2 coating. The activity of the ternary coating was similar to that of the binary Ti0.6Ru0.4O2 coating in the investigated solutions. However, the corrosion stability in seawater is found to be considerably greater for the ternary coating.

Thermodynamic study of sodium-iron oxides. Part 2. Ternary phase diagram of the Na-Fe-O system

International Nuclear Information System (INIS)

Huang, Jintao; Furukawa, Tomohiro; Aoto, Kazumi

2003-01-01

Studies on ternary phase diagrams of the Na-Fe-O system have been carried out from the thermodynamic point of view. Thermodynamic data of main ternary Na-Fe oxides Na 4 FeO 3 (s), Na 3 FeO 3 (s), Na 5 FeO 4 (s) and Na 8 Fe 2 O 7 (s) have been assessed. A user database has been created by reviewing literature data together with recent DSC and vapor pressure measurements by the present authors. New ternary phase diagrams of the Na-Fe-O system have been constructed from room temperature to 1000K. Stable conditions of the ternary oxides at 800K were presented in predominance diagram as functions of oxygen pressure and sodium pressure

Ternary complex formation of lanthanides and radiolanthanides with phosphate and serum proteins

International Nuclear Information System (INIS)

Neumaier, B.; Roesch, F.

1999-01-01

Radioyttrium was recently reported to form ternary complexes with phosphate and serum proteins in blood. In the present work it was investigated whether the trivalent radiolanthanides react in a chemically similar way. In systematic binding studies using gel filtration a ternary complex formation between different lanthanides, phosphate and serum proteins could be identified. The tendency to build a ternary compound of the type Ln III - phosphate - serum protein, however, is dependent on the ionic radii of the lanthanides. Whereas the light and transition lanthanides have a strong inclination to build a ternary complex, this tendency is weaker for the heavier ones. Taking into account the high content of phosphate in human blood, the corresponding ternary complexes of radiolanthanides represent an important transport form of these elements in blood. This finding may contribute to an understanding of the nuclear medical observation on the biodistribution of radiolanthanides. The heavy radiolanthanides can be classified as bone seeking metals, whereas the light and transition lanthanide elements accumulate mainly in the liver and the spleen. For the lighter radiolanthanides the corresponding ternary complexes thus represent an important transport form in blood. This physicochemical form of lanthanides mainly results in reticulo endothelial accumulation; on the other hand, the lower tendency of heavier lanthanides leads to preferential skeletal deposition. (orig.)

OXYGEN METALLICITY DETERMINATIONS FROM OPTICAL EMISSION LINES IN EARLY-TYPE GALAXIES

International Nuclear Information System (INIS)

Athey, Alex E.; Bregman, Joel N.

2009-01-01

We measured the oxygen abundances of the warm (T ∼ 10 4 K) phase of gas in seven early-type galaxies through long-slit observations. A template spectra was constructed from galaxies void of warm gas and subtracted from the emission-line galaxies, allowing for a clean measurement of the nebular lines. The ratios of the emission lines are consistent with photoionization, which likely originates from the ultraviolet flux of postasymototic giant branch stars. We employ H II region photoionization models to determine a mean oxygen metallicity of 1.01 ± 0.50 solar for the warm interstellar medium (ISM) in this sample. This warm ISM 0.5-1.5 solar metallicity is consistent with modern determinations of the metallicity in the hot (T ∼ 10 6 -10 7 K) ISM and the upper range of this warm ISM metallicity is consistent with stellar population metallicity determinations. A solar metallicity of the warm ISM favors an internal origin for the warm ISM such as asymptotic giant branch mass loss within the galaxy.

Chalcogenide metal centers for oxygen reduction reaction: Activity and tolerance

International Nuclear Information System (INIS)

Feng Yongjun; Gago, Aldo; Timperman, Laure; Alonso-Vante, Nicolas

2011-01-01

This mini-review summarizes materials design methods, oxygen reduction kinetics, tolerance to small organic molecules and fuel cell performance of chalcogenide metal catalysts, particularly, ruthenium (Ru x Se y ) and non-precious transition metals (M x X y : M = Co, Fe and Ni; X = Se and S). These non-platinum catalysts are potential alternatives to Pt-based catalysts because of their comparable catalytic activity (Ru x Se y ), low cost, high abundance and, in particular, a high tolerance to small organic molecules. Developing trends of synthesis methods, mechanism of oxygen reduction reaction and applications in direct alcohol fuel cells as well as the substrate effect are highlighted.

Experimental investigation of phase equilibria in the Zr-Cu-Ni ternary system

Energy Technology Data Exchange (ETDEWEB)

Yang, Mujin; Wang, Cuiping; Yang, Shuiyuan; Shi, Zhan; Han, Jiajia; Liu, Xingjun [Xiamen Univ. (China). College of Materials and Fujian Provincial Key Lab. of Materials Genome

2017-08-15

The phase equilibria in the Zr-Cu-Ni ternary system are investigated combined with X-ray diffraction, electron probe micro-analysis and differential scanning calorimetry. Two isothermal sections of the Zr-Cu-Ni ternary system at 1 000 C and 1 100 C are experimentally established. Most of the binary intermetallic compounds, e.g. Zr{sub 7}Ni{sub 10}, ZrNi, ZrNi{sub 5}, Zr{sub 14}Cu{sub 51}, and Zr{sub 2}Cu{sub 9}, show a remarkable ternary solubility. A new ternary compound named τ{sub 3} (Zr{sub 31.1-30.7} . Cu{sub 28.5-40.3}Ni{sub 40.4-29.0}) is detected at 1 000 C and dissolved at 1 020 C because the nearby large liquid phase field further expands. The newly determined phase equilibria will provide important information for both thermodynamic assessment and alloy design of Zr-based metallic glass.

Fac–mer equilibria of coordinated iminodiacetate (ida ) in ternary Cu ...

Indian Academy of Sciences (India)

Unknown

Keywords. Fac–mer equilibria; CuII-iminodiacetate-imidazole/benzimidazole ternary complexes; stability constants. 1. Introduction. Mixed ligand complexes of transition metal ions with amino acids, peptides or their derivatives or analogues, and heterocyclic N-bases can serve as model compounds of bioinorganic interests ...

Glass formation, magnetic properties and magnetocaloric effect of ternary Ho–Al–Co bulk metallic glass

International Nuclear Information System (INIS)

Zhang, Huiyan; Li, Ran; Ji, Yunfei; Liu, Fanmao; Luo, Qiang; Zhang, Tao

2012-01-01

A ternary Ho–Al–Co system with high glass-forming ability (GFA) was developed and fully glassy rods with diameters up to 1 cm can be produced for the best glass former of Ho 55 Al 27.5 Co 17.5 alloy. The thermal stability and low-temperature magnetic properties of the Ho 55 Al 27.5 Co 17.5 bulk metallic glass (BMG) were studied. The magnetic transition temperature of this alloy is ∼14 K as determined by the thermomagnetic measurement. Two indicators, i.e. isothermal magnetic entropy change (ΔS M ) and the relative cooling power (RCP), were adopted to evaluate the magnetocaloric effect (MCE) of the alloy under a low magnetic field up to 2 T, which can be generated by permanent magnets. The values of |ΔS M | and RCP are 7.98 J kg −1 K −1 and 191.5 J kg −1 , respectively. The Ho 55 Al 27.5 Co 17.5 BMG with good MCE and high GFA provides an attractive candidate for magnetic refrigeration applications, like hydrogen liquefaction and storage. - Highlights: ► A ternary Ho–Al–Co BMG system with high glass-forming ability was developed. ► Fully glassy rods of Ho 55 Al 27.5 Co 17.5 alloy were produced up to 1 cm in diameter. ► The thermal stability and magnetic properties of the BMG were evaluated. ► The BMG exhibits good magnetocaloric effect under a low magnetic field up to 2 T.

Prediction of high-Tc conventional superconductivity in the ternary lithium borohydride system

Science.gov (United States)

Kokail, Christian; von der Linden, Wolfgang; Boeri, Lilia

2017-12-01

We investigate the superconducting ternary lithium borohydride phase diagram at pressures of 0 and 200 GPa using methods for evolutionary crystal structure prediction and linear-response calculations for the electron-phonon coupling. Our calculations show that the ground state phase at ambient pressure, LiBH4, stays in the P n m a space group and remains a wide band-gap insulator at all pressures investigated. Other phases along the 1 :1 :x Li:B:H line are also insulating. However, a full search of the ternary phase diagram at 200 GPa revealed a metallic Li2BH6 phase, which is thermodynamically stable down to 100 GPa. This superhydride phase, crystallizing in a F m 3 ¯m space group, is characterized by sixfold hydrogen-coordinated boron atoms occupying the fcc sites of the unit cell. Due to strong hydrogen-boron bonding this phase displays a critical temperature of ˜100 K between 100 and 200 GPa. Our investigations confirm that ternary compounds used in hydrogen-storage applications should exhibit high-Tc conventional superconductivity in diamond anvil cell experiments, and suggest a viable route to optimize the superconducting behavior of high-pressure hydrides, exploiting metallic covalent bonds.

Effect of ternary additions on the oxidation resistance of Ti5Si3

International Nuclear Information System (INIS)

Thom, A.J.; Akinc, M.; Iowa State Univ., Ames, IA

1995-01-01

Refractory intermetallic silicides are receiving increasing consideration for use as high temperature structural materials. Ti 5 Si 3 -based compositions are attractive due to their ability to incorporate a variety of interstitial ternary additions. These ternary additions present a unique opportunity to potentially tailor physical properties. Previous experimental work has shown that these additions significantly increase the otherwise poor oxidation resistance of undoped Ti 5 Si 3 above 700 C. Recent experimental work by the authors on the oxidation of small atom doped Ti 5 Si 3 is discussed. Interstitial additions of boron, carbon, and oxygen substantially improve the isothermal oxidation resistance of Ti 5 Si 3 at 1,000 C. In contrast, added nitrogen does not provide significant improvement. Even up to 1,306 C, interstitial oxygen imparts excellent oxidation resistance with a mass gain of 1.1 mg/cm 2 after 240 hours

Some new protonated ternary complexes of rare-earths with CDTA/DTPA and keto-glutaric acid

International Nuclear Information System (INIS)

Tripathi, S.P.; Chaturvedi, G.K.; Sharma, R.C.

1981-01-01

Potentiometric evidences have been cited for the formation of 1:1:1, M(III)-CDTA/DTPA-H 2 KGA ternary complexes in the solution equilibria (where M(III)=LA(III), Pr(III), Nd(III), Gd(III) or Dy(III); CDTA=1,2-diaminocyclohexanetetra-acetic acid; DTPA=diethylenetriaminepenta-acetic acid and H 2 KGA= β-ketoglutaric acid). Indications have been cited for the formation of protonated mixed ligand complexes at low pH as intermediate products, which undergo deprotonation at comparatively high pH forming 1:1:1, ternary species. The formation constants (log Ksub(MLL')) for the protonated ternary species, formed by simultaneous addition of both the ligands to metal ion and their deprotonation constants - log Ksub(A)sup(H) have been evaluated. The following order in the relative stabilities of the resulting complexes in terms of metal ions, La(III) < Pr(III) < Nd(III) < Gd(III) < Dy(III), has been observed. (author)

Exploring multi-metal biosorption by indigenous metal-hyperresistant Enterobacter sp. J1 using experimental design methodologies

International Nuclear Information System (INIS)

Lu, W.-B.; Kao, W.-C.; Shi, J.-J.; Chang, J.-S.

2008-01-01

A novel experimental design, combining mixture design and response surface methodology (RSM), was developed to investigate the competitive adsorption behavior of lead, copper and cadmium by an indigenous isolate Enterobacter sp. J1 able to tolerate high concentrations of a variety of heavy metals. Using the proposed combinative experimental design, two different experiment designs in a ternary metal biosorption system can be integrated to a succinct experiment and the number of experimental trials was markedly reduced from 38 to 26 by reusing the mutual experimental data. Triangular contour diagrams and triangular three-dimensional surface plots were generated to describe the ternary metal biosorption equilibrium data in mixture design systems. The results show that the preference of metal sorption of Enterobacter sp. J1 decreased in the order of Pb 2+ > Cu 2+ > Cd 2+ . The presence of other metals resulted in a competitive effect. The influence of the other two metals in ternary metal biosorption system can be easily determined by comparing the stray distance from the single metal biosorption. The behavior of competitive biosorption was successfully described and predicted using a combined Langmuir-Freundlich model along with new three-dimensional contour-surface plots

Exploring multi-metal biosorption by indigenous metal-hyperresistant Enterobacter sp. J1 using experimental design methodologies

Energy Technology Data Exchange (ETDEWEB)

Lu, W.-B. [Department of Cosmetic Science, Chung Hwa University of Medical Technology, Tainan, Taiwan (China); Kao, W.-C.; Shi, J.-J. [Department of Chemical Engineering, National Cheng Kung University, Tainan, Taiwan (China); Chang, J.-S. [Department of Chemical Engineering, National Cheng Kung University, Tainan, Taiwan (China)], E-mail: changjs@mail.ncku.edu.tw

2008-05-01

A novel experimental design, combining mixture design and response surface methodology (RSM), was developed to investigate the competitive adsorption behavior of lead, copper and cadmium by an indigenous isolate Enterobacter sp. J1 able to tolerate high concentrations of a variety of heavy metals. Using the proposed combinative experimental design, two different experiment designs in a ternary metal biosorption system can be integrated to a succinct experiment and the number of experimental trials was markedly reduced from 38 to 26 by reusing the mutual experimental data. Triangular contour diagrams and triangular three-dimensional surface plots were generated to describe the ternary metal biosorption equilibrium data in mixture design systems. The results show that the preference of metal sorption of Enterobacter sp. J1 decreased in the order of Pb{sup 2+} > Cu{sup 2+} > Cd{sup 2+}. The presence of other metals resulted in a competitive effect. The influence of the other two metals in ternary metal biosorption system can be easily determined by comparing the stray distance from the single metal biosorption. The behavior of competitive biosorption was successfully described and predicted using a combined Langmuir-Freundlich model along with new three-dimensional contour-surface plots.

Ternary fission

Indian Academy of Sciences (India)

the energy minimization of all possible ternary breakups of a heavy radioactive nucleus. Further, within the TCM we have analysed the competition between different geometries as well as different positioning of the fragments. Also, an attempt was made to calculate the mass distribution of ternary fission process within the ...

Oxygen production by molten alkali metal salts using multiple absorption-desorption cycles

Science.gov (United States)

Cassano, Anthony A.

1985-01-01

A continuous chemical air separation is performed wherein oxygen is recovered with a molten alkali metal salt oxygen acceptor in a series of absorption zones which are connected to a plurality of desorption zones operated in separate parallel cycles with the absorption zones. A greater recovery of high pressure oxygen is achieved at reduced power requirements and capital costs.

Ternary cobalt-molybdenum-zirconium coatings for alternative energies

Science.gov (United States)

Yar-Mukhamedova, Gulmira; Ved', Maryna; Sakhnenko, Nikolay; Koziar, Maryna

2017-11-01

Consistent patterns for electrodeposition of Co-Mo-Zr coatings from polyligand citrate-pyrophosphate bath were investigated. The effect of both current density amplitude and pulse on/off time on the quality, composition and surface morphology of the galvanic alloys were determined. It was established the coating Co-Mo-Zr enrichment by molybdenum with current density increasing up to 8 A dm-2 as well as the rising of pulse time and pause duration promotes the content of molybdenum because of subsequent chemical reduction of its intermediate oxides by hydrogen ad-atoms. It was found that the content of the alloying metals in the coating Co-Mo-Zr depends on the current density and on/off times extremely and maximum Mo and Zr content corresponds to the current density interval 4-6 A dm-2, on-/off-time 2-10 ms. Chemical resistance of binary and ternary coatings based on cobalt is caused by the increased tendency to passivity and high resistance to pitting corrosion in the presence of molybdenum and zirconium, as well as the acid nature of their oxides. Binary coating with molybdenum content not less than 20 at.% and ternary ones with zirconium content in terms of corrosion deep index are in a group ;very proof;. It was shown that Co-Mo-Zr alloys exhibits the greatest level of catalytic properties as cathode material for hydrogen electrolytic production from acidic media which is not inferior a platinum electrode. The deposits Co-Mo-Zr with zirconium content 2-4 at.% demonstrate high catalytic properties in the carbon(II) oxide conversion. This confirms the efficiency of materials as catalysts for the gaseous wastes purification and gives the reason to recommend them as catalysts for red-ox processes activating by oxygen as well as electrode materials for red-ox batteries.

Preliminary study on metallic inclusion in nuclear fuel

International Nuclear Information System (INIS)

Fukuzawa, Takashi; Tanaka, Masahiro; Tanabe, Tetsuo; Imoto, Shosuke

1984-01-01

In recent postirradiation tests, metallic fission products such as Mo, Ru, Rh and Pd are known to precipitate as metallic inclusions in the fuel. These inclusions remain as insoluble residues and provide various problems in different fields of the reprocessing. In this report are presented preliminary results of the study on the ternary phase diagram of Mo-Ru-Pd system and on their properties in nitric acid or various oxidative environments. It is concluded that (1) most of metallic inclusions which are insoluble in nitric acid show epsilon phase, Ru base hcp alloy, in which a large amount of Mo and Pd are soluble, (2) Pd, however, seems to deposit separately in the fuel pin because of its high vapor pressure, (3) Mo fraction in the inclusion would be highly dependent on oxygen potential in the fuel pin. (author)

pH-Specific structural speciation of the ternary V(V)-peroxido-betaine system: a chemical reactivity-structure correlation.

Science.gov (United States)

Gabriel, C; Kioseoglou, E; Venetis, J; Psycharis, V; Raptopoulou, C P; Terzis, A; Voyiatzis, G; Bertmer, M; Mateescu, C; Salifoglou, A

2012-06-04

Vanadium involvement in cellular processes requires deep understanding of the nature and properties of its soluble and bioavailable forms arising in aqueous speciations of binary and ternary systems. In an effort to understand the ternary vanadium-H(2)O(2)-ligand interactions relevant to that metal ion's biological role, synthetic efforts were launched involving the physiological ligands betaine (Me(3)N(+)CH(2)CO(2)(-)) and H(2)O(2). In a pH-specific fashion, V(2)O(5), betaine, and H(2)O(2) reacted and afforded three new, unusual, and unique compounds, consistent with the molecular formulation K(2)[V(2)O(2)(O(2))(4){(CH(3))(3)NCH(2)CO(2))}]·H(2)O (1), (NH(4))(2)[V(2)O(2)(O(2))(4){(CH(3))(3)NCH(2)CO(2))}]·0.75H(2)O (2), and {Na(2)[V(2)O(2)(O(2))(4){(CH(3))(3)NCH(2)CO(2))}(2)]}(n)·4nH(2)O (3). All complexes 1-3 were characterized by elemental analysis; UV/visible, FT-IR, Raman, and NMR spectroscopy in solution and the solid state; cyclic voltammetry; TGA-DTG; and X-ray crystallography. The structures of 1 and 2 reveal the presence of unusual ternary dinuclear vanadium-tetraperoxido-betaine complexes containing [(V(V)═O)(O(2))(2)] units interacting through long V-O bonds. The two V(V) ions are bridged through the oxygen terminal of one of the peroxide groups bound to the vanadium centers. The betaine ligand binds only one of the two V(V) ions. In the case of the third complex 3, the two vanadium centers are not immediate neighbors, with Na(+) ions (a) acting as efficient oxygen anchors and through Na-O bonds holding the two vanadium ions in place and (b) providing for oxygen-containing ligand binding leading to a polymeric lattice. In 1 and 3, interesting 2D (honeycomb) and 1D (zigzag chains) topologies of potassium nine-coordinate polyhedra (1) and sodium octahedra (3), respectively, form. The collective physicochemical properties of the three ternary species 1-3 project the chemical role of the low molecular mass biosubstrate betaine in binding V

Interaction of hydrogen and oxygen with bulk defects and surfaces of metals

International Nuclear Information System (INIS)

Besenbacher, F.

1994-05-01

The thesis deals with the interaction of hydrogen with defects in metals and the interaction of hydrogen and oxygen with metal surfaces studied by ion-beam techniques and scanning tunneling microscopy (STM), respectively. The first part of the thesis discusses the interaction of hydrogen with simple defects in transition metals. The trap-binding enthalpies and the lattice location of hydrogen trapped to vacancies have been determined, and an extremely simple and versatile picture of the hydrogen-metal interaction has evolved, in which the trap strength is mainly determined by the local electron density. Any dilution of the lattice will lead to a trap, vacancies and voids being the strongest trap. It is found that hydrogen trapped to vacancies in fcc metals is quantum-mechanically delocalized, and the excitation energies for the hydrogen in the vacancy potential are a few MeV only. The interaction of hydrogen with metal surfaces is studied by the transmission channeling (TC) technique. It is found that hydrogen chemisorbs in the highest-coordinated sites on the surfaces, and that there is a direct relationship between the hydrogen-metal bond length and the coordination number for the hydrogen. In the final part of the thesis the dynamics of the chemisorption process for oxygen and hydrogen on metal surfaces is studied by STM, a fascinating and powerful technique for exploring the atomic-scale realm of surfaces. It is found that there is a strong coupling between the chemisorption process and the distortion of the metal surface. The adsorbates induce a surface reconstruction, i.e. metal-metal bond breaks and metal-adsorbate bounds form. Whereas hydrogen interacts weakly with the metals and induces reconstructions where only nnn metals bonds are broken, oxygen interacts strongly with the metal, and the driving force for the O-induced reconstructions appears to be the formation of low-coordinated metal-O rows, formed by breaking of nn metal bonds. Finally it is shown

Phase equilibria of the Mo-Al-Ho ternary system

Energy Technology Data Exchange (ETDEWEB)

Li, Yitai; Chen, Xiaoxian; Liu, Hao [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials; Zhan, Yongzhong [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials; Guangxi Univ., Nanning (China). Center of Ecological Collaborative Innovation for Aluminum Industry

2017-08-15

Investigation into the reactions and phase equilibria of transition metal elements (i.e. Mo, Zr, Cr, V and Ti), Al and rare earths is academically and industrially important for the development of both refractory alloys and lightweight high-temperature materials. In this work, the equilibria of the Mo-Al-Ho ternary system at 773 K have been determined by using X-ray powder diffraction and scanning electron microscopy equipped with energy dispersive X-ray analysis. A new ternary phase Al{sub 4}Mo{sub 2}Ho has been found and the other ternary phase Al{sub 43}Mo{sub 4}Ho{sub 6} is observed. Ten binary phases in the Al-Mo and Al-Ho systems, including Al{sub 17}Mo{sub 4} rather than Al{sub 4}Mo, have been determined to exist at 773 K. The homogeneity ranges of AlMo{sub 3} and Al{sub 8}Mo{sub 3} phase are 7.5 at.% and 1 at.%, respectively. According to the phase-disappearing method, the maximum solubility of Al in Mo is about 16 at.%.

Oxygen production by molten alkali metal salts using multiple absorption-desorption cycles

Science.gov (United States)

Cassano, A.A.

1985-07-02

A continuous chemical air separation is performed wherein oxygen is recovered with a molten alkali metal salt oxygen acceptor in a series of absorption zones which are connected to a plurality of desorption zones operated in separate parallel cycles with the absorption zones. A greater recovery of high pressure oxygen is achieved at reduced power requirements and capital costs. 3 figs.

Ternary Au/ZnO/rGO nanocomposites electrodes for high performance electrochemical storage devices

Science.gov (United States)

Chaudhary, Manchal; Doong, Ruey-an; Kumar, Nagesh; Tseng, Tseung Yuen

2017-10-01

The combination of metal and metal oxide nanoparticles with reduced graphene oxides (rGO) is an active electrode material for electrochemical storage devices. Herein, we have, for the first time, reported the fabrication of ternary Au/ZnO/rGO nanocomposites by using a rapid and environmentally friendly microwave-assisted hydrothermal method for high performance supercapacitor applications. The ZnO/rGO provides excellent electrical conductivity and good macro/mesopore structures, which can facilitate the rapid electrons and ions transport. The Au nanoparticles with particle sizes of 7-12 nm are homogeneously distributed onto the ZnO/rGO surface to enhance the electrochemical performance by retaining the capacitance at high current density. The Au/ZnO/rGO nanocomposites, prepared with the optimized rGO amount of 100 mg exhibit a high specific capacitance of 875 and 424 F g-1 at current densities of 1 and 20 A g-1, respectively, in 2 M KOH. In addition, the energy and power densities of ternary Au/ZnO/rGO can be up to 17.6-36.5 Wh kg-1 and 0.27-5.42 kW kg-1, respectively. Results obtained in this study clearly demonstrate the excellence of ternary Au/ZnO/rGO nanocomposites as the active electrode materials for electrochemical pseudocapacitor performance and can open an avenue to fabricate metal/metal oxide/rGO nanocomposites for electrochemical storage devices with both high energy and power densities.

pH-specific hydrothermal assembly of binary and ternary Pb(II)-(O,N-carboxylic acid) metal organic framework compounds: correlation of aqueous solution speciation with variable dimensionality solid-state lattice architecture and spectroscopic signatures.

Science.gov (United States)

Gabriel, C; Perikli, M; Raptopoulou, C P; Terzis, A; Psycharis, V; Mateescu, C; Jakusch, T; Kiss, T; Bertmer, M; Salifoglou, A

2012-09-03

Hydrothermal pH-specific reactivity in the binary/ternary systems of Pb(II) with the carboxylic acids N-hydroxyethyl-iminodiacetic acid (Heida), 1,3-diamino-2-hydroxypropane-N,N,N',N'-tetraacetic acid (Dpot), and 1,10-phenanthroline (Phen) afforded the new well-defined crystalline compounds [Pb(Heida)](n)·nH(2)O(1), [Pb(Phen)(Heida)]·4H(2)O(2), and [Pb(3)(NO(3))(Dpot)](n)(3). All compounds were characterized by elemental analysis, FT-IR, solution or/and solid-state NMR, and single-crystal X-ray diffraction. The structures in 1-2 reveal the presence of a Pb(II) center coordinated to one Heida ligand, with 1 exhibiting a two-dimensional (2D) lattice extending to a three-dimensional (3D) one through H-bonding interactions. The concurrent aqueous speciation study of the binary Pb(II)-Heida system projects species complementing the synthetic efforts, thereby lending credence to a global structural speciation strategy in investigating binary/ternary Pb(II)-Heida/Phen systems. The involvement of Phen in 2 projects the significance of nature and reactivity potential of N-aromatic chelators, disrupting the binary lattice in 1 and influencing the nature of the ultimately arising ternary 3D lattice. 3 is a ternary coordination polymer, where Pb(II)-Dpot coordination leads to a 2D metal-organic-framework material with unique architecture. The collective physicochemical properties of 1-3 formulate the salient features of variable dimensionality metal-organic-framework lattices in binary/ternary Pb(II)-(hydroxy-carboxylate) structures, based on which new Pb(II) materials with distinct architecture and spectroscopic signature can be rationally designed and pursued synthetically.

Thermodynamic Considerations of Direct Oxygen Removal from Titanium by Utilizing the Deoxidation Capability of Rare Earth Metals

Science.gov (United States)

Okabe, Toru H.; Zheng, Chenyi; Taninouchi, Yu-ki

2018-06-01

Oxygen removal from metallic Ti is extremely difficult and, currently, there is no commercial process for effectively deoxidizing Ti or its alloys. The oxygen concentration in Ti scraps is normally higher than that in virgin metals such as in Ti sponges produced by the Kroll process. When scraps are remelted with virgin metals for producing primary ingots of Ti or its alloys, the amount of scrap that can be used is limited owing to the accumulation of oxygen impurities. Future demands of an increase in Ti production and of mitigating environmental impacts require that the amount of scrap recycled as a feed material of Ti ingots should also increase. Therefore, it is important to develop methods for removing oxygen directly from Ti scraps. In this study, we evaluated the deoxidation limit for β-Ti using Y or light rare earth metals (La, Ce, Pr, or Nd) as a deoxidant. Thermodynamic considerations suggest that extra-low-oxygen Ti, with an oxygen concentration of 100 mass ppm or less can be obtained using a molten salt equilibrating with rare earth metals. The results presented herein also indicate that methods based on molten salt electrolysis for producing rare earth metals can be utilized for effectively and directly deoxidizing Ti scraps.

Conductor of high electrical current at high temperature in oxygen and liquid metal environment

Science.gov (United States)

Powell, IV, Adam Clayton; Pati, Soobhankar; Derezinski, Stephen Joseph; Lau, Garrett; Pal, Uday B.; Guan, Xiaofei; Gopalan, Srikanth

2016-01-12

In one aspect, the present invention is directed to apparatuses for and methods of conducting electrical current in an oxygen and liquid metal environment. In another aspect, the invention relates to methods for production of metals from their oxides comprising providing a cathode in electrical contact with a molten electrolyte, providing a liquid metal anode separated from the cathode and the molten electrolyte by a solid oxygen ion conducting membrane, providing a current collector at the anode, and establishing a potential between the cathode and the anode.

Wüstite in the fusion crust of Almahata Sitta sulfide-metal assemblage MS-166: Evidence for oxygen in metallic melts

Science.gov (United States)

Horstmann, Marian; Humayun, Munir; Harries, Dennis; Langenhorst, Falko; Chabot, Nancy L.; Bischoff, Addi; Zolensky, Michael E.

2013-05-01

Meteorite fusion crusts form during the passage of a meteoroid through the Earth's atmosphere and are highly oxidized intergrowths as documented by the presence of e.g., oxides. The porous and irregular fusion crust surrounding the Almahata Sitta sulfide-metal assemblage MS-166 was found highly enriched in wüstite (Fe1-xO). Frictional heating of the outer portions of the assemblage caused partial melting of predominantly the Fe-sulfide and minor amounts of the outer Ni-rich portions of the originally zoned metal in MS-166. Along with melting significant amounts of oxygen were incorporated into the molten fusion crust and mainly FeS was oxidized and desulfurized to form wüstite. Considerable amounts of FeS were lost due to ablation, whereas the cores of the large metal grains appear largely unmelted leaving behind metal grains and surrounding wüstite-rich material (matte). Metal grains along with the surrounding matte typically form an often highly porous framework of globules interconnected with the matte. Although textures and chemical composition suggest that melting of Fe,Ni metal occurred only partially (Ni-rich rims), there is a trace elemental imprint of siderophile element partitioning influenced by oxygen in the metallic melt as indicated by the behavior of W and Ga, the two elements significantly affected by oxygen in a metallic melt. It is remarkable that MS-166 survived the atmospheric passage as troilite inclusions in iron meteorites are preferentially destroyed.

Characterization of carbon, nitrogen, oxygen and refractory metals in binary and ternary silicon-based films using ion beam methods

International Nuclear Information System (INIS)

Somatri-Bouamrane, R.

1996-01-01

Ion beam methods (non Rutherford backscattering, nuclear reactions) have been carried out in order to characterize silicon-based films. The cross sections for the reactions 12 C(α,α), 14 N(α,α), 16 O(α,α), 28 Si(α,α) and 14 N(α,p) have been measured within 2 and 7 MeV. CVD beta SiC films could be analyzed and the interface between silicon carbide and the (100) silicon substrate was studied. The epitaxial growth of the beta SiC film could be modelled by comparing the results obtained with ion beam analysis, infrared spectroscopy and electron microscopy. Moreover, the stoichiometry of low pressure CVD Me-Si-N (Me=Re, W, Ti, Ta) ternary systems was studied. The evolution of the nitrogen content in W-Si-N systems allowed to study their stability with respect to the annealing conditions. (N.T.)

Ternary chalcopyrite semiconductors

CERN Document Server

Shay, J L; Pamplin, B R

2013-01-01

Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties, and Applications covers the developments of work in the I-III-VI2 and II-IV-V2 ternary chalcopyrite compounds. This book is composed of eight chapters that focus on the crystal growth, characterization, and applications of these compounds to optical communications systems. After briefly dealing with the status of ternary chalcopyrite compounds, this book goes on describing the crystal growth of II-IV-V2 and I-III-VI2 single crystals. Chapters 3 and 4 examine the energy band structure of these semiconductor compounds, illustrat

Ternary catalyst-olefin-hydroperoxide complexes and their contribution to epoxidation

International Nuclear Information System (INIS)

Svitych, R.B.; Rzhevskaya, N.N.; Buchachenko, A.L.; Yablonskij, O.P.; Petukhov, A.A.; Belyaev, V.A.

1976-01-01

Electron and NMR spectroscopy have been used for studying the complex formation of catalysts (Mo 5+ , Mn 2+ , Co 2+ ) in double and triple systems: metal-olefin and metal-olefin-hydroperoxide. It has been established that ions of metals form complexes with olefins in the first sphere. The formation has been proved of ternary complexes metal-olefin-hydroperoxide. The structure of the complexes has been proposed with olefins in the first and hydroperoxide in the second sphere of the metal ion. The structure explains known kinetic regularities of epoxydation and the mechanism of the formation of final products, oxide and alcohol. It has been shown that the best catalysts for epoxydation of olefins with hydroperoxides must be the compounds of the metals with an electron state of ion d 0 [ru

Ternary ceramic thermal spraying powder and method of manufacturing thermal sprayed coating using said powder

Energy Technology Data Exchange (ETDEWEB)

Vogli, Evelina; Sherman, Andrew J.; Glasgow, Curtis P.

2018-02-06

The invention describes a method for producing ternary and binary ceramic powders and their thermal spraying capable of manufacturing thermal sprayed coatings with superior properties. Powder contain at least 30% by weight ternary ceramic, at least 20% by weight binary molybdenum borides, at least one of the binary borides of Cr, Fe, Ni, W and Co and a maximum of 10% by weight of nano and submicro-sized boron nitride. The primary crystal phase of the manufactured thermal sprayed coatings from these powders is a ternary ceramic, while the secondary phases are binary ceramics. The coatings have extremely high resistance against corrosion of molten metal, extremely thermal shock resistance and superior tribological properties at low and at high temperatures.

First-principles study on half-metallic ferromagnetic properties of Zn1- x V x Se ternary alloys

Science.gov (United States)

Khatta, Swati; Tripathi, S. K.; Prakash, Satya

2017-09-01

The spin-polarised density functional theory along with self-consistent plane-wave pseudopotential is used to investigate the half-metallic ferromagnetic properties of ternary alloys Zn1- x V x Se. The generalized gradient approximation is used for exchange-correlation potential. The equilibrium lattice constants, bulk modulus, and its derivatives are calculated. The calculated spin-polarised energy-band structures reveal that these alloys are half-metallic for x = 0.375 and 0.50 and nearly half-metallic for other values of x. The estimated direct and indirect bandgaps may be useful for the magneto-optical absorption experiments. It is found that there is strong Zn 4s, Se 4p, and V 3d orbital hybridization in the conduction bands of both the spins, while Se 4p and V 3d orbital hybridization predominates in the valence bands of both the spins. The s, p-d, and p-d orbital hybridization reduces the local magnetic moment of V atoms and small local magnetic moments are produced on Zn and Se atoms which get coupled with V atoms in ferromagnetic and antiferromagnetic phases, respectively. The conduction and valence-band-edge splittings and exchange constants predict the ferromagnetism in these alloys. The conduction band-impurity (s and p-d) exchange interaction is more significant for ferromagnetism in these alloys than the valence band-impurity (p-d) exchange interaction.

Experimental Investigation of Ternary Alloys for Fusion Breeding Blankets

Energy Technology Data Exchange (ETDEWEB)

Choi, B. William [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Chiu, Ing L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2015-10-26

Future fusion power plants based on the deuterium-tritium (DT) fuel cycle will be required to breed the T fuel via neutron reactions with lithium, which will be incorporated in a breeding blanket that surrounds the fusion source. Recent work by LLNL proposed the used of liquid Li as the breeder in an inertial fusion energy (IFE) power plant. Subsequently, an LDRD was initiated to develop alternatives ternary alloy liquid metal breeders that have reduced chemical reactivity with water and air compared to pure Li. Part of the work plan was to experimentally investigate the phase diagrams of ternary alloys. Of particular interest was measurement of the melt temperature, which must be low enough to be compatible with the temperature limits of the steel used in the construction of the chamber and heat transfer system.

Potential barrier heights at metal on oxygen-terminated diamond interfaces

Energy Technology Data Exchange (ETDEWEB)

Muret, P., E-mail: pierre.muret@neel.cnrs.fr; Traoré, A.; Maréchal, A.; Eon, D. [Inst. NEEL, Univ. Grenoble Alpes, F-38042 Grenoble, France and CNRS, Inst. NEEL, F-38042 Grenoble (France); Pernot, J. [Univ. Grenoble Alpes, Inst. NEEL, F-38042 Grenoble, (France); CNRS, Inst. NEEL, F-38042 Grenoble, (France); Institut Universitaire de France, 103 Boulevard Saint-Michel, F-75005 Paris (France); Pinero, J. C.; Villar, M. P.; Araujo, D., E-mail: daniel.araujo@uca.es [Dpto. Ciencias de los Materiales, Universidad de Cádiz, 11510 Puerto Real (Cádiz) (Spain)

2015-11-28

Electrical properties of metal-semiconductor (M/SC) and metal/oxide/SC structures built with Zr or ZrO{sub 2} deposited on oxygen-terminated surfaces of (001)-oriented diamond films, comprised of a stack of lightly p-doped diamond on a heavily doped layer itself homoepitaxially grown on an Ib substrate, are investigated experimentally and compared to different models. In Schottky barrier diodes, the interfacial oxide layer evidenced by high resolution transmission electron microscopy and electron energy losses spectroscopy before and after annealing, and barrier height inhomogeneities accounts for the measured electrical characteristics until flat bands are reached, in accordance with a model which generalizes that by Tung [Phys. Rev. B 45, 13509 (1992)] and permits to extract physically meaningful parameters of the three kinds of interface: (a) unannealed ones, (b) annealed at 350 °C, (c) annealed at 450 °C with the characteristic barrier heights of 2.2–2.5 V in case (a) while as low as 0.96 V in case (c). Possible models of potential barriers for several metals deposited on well defined oxygen-terminated diamond surfaces are discussed and compared to experimental data. It is concluded that interface dipoles of several kinds present at these compound interfaces and their chemical evolution due to annealing are the suitable ingredients that are able to account for the Mott-Schottky behavior when the effect of the metal work function is ignored, and to justify the reverted slope observed regarding metal work function, in contrast to the trend always reported for all other metal-semiconductor interfaces.

Some reduced ternary and quaternary oxides of molybdenum. A family of compounds with strong metal-metal bonds

International Nuclear Information System (INIS)

Torardi, C.C.; McCarley, R.E.

1981-01-01

Several new, reduced ternary and quaternary oxides of molybdenum are reported, each containing molybdenum in an average oxidation state 2 sealed in Mo tubes held at 1100 0 C for ca. 7 days. Refinement of the substructure of the new compound Ba 0 62 Mo 4 O 6 was based on an orthorhombic cells, with a = 9.509(2), b = 9.825(2), c = 2.853(1) A, Z = 2 in space group Pbam; weak supercell reflections indicate the true structure has c = 8(2.853) A. The chief structural feature is closely related to that of NaMo 4 O 6 which consists of infinite chains of Mo 6 octahedral clusters fused on opposite edges, bridged on the outer edges by O atoms and crosslinked by Mo-O-Mo bonding to create four-sided tunnels in which the Ba 2+ ions are located. The structure of Ba 1 13 Mo 8 O 16 is triclinic, a = 7.311(1), b = 7.453(1), c = 5.726(1) A, α = 101.49(2), β = 99.60(2), γ = 89.31(2) 0 , Z = 1, space group P1. It is a low-symmetry, metal-metal bonded variant of the hollandite structure, in which two different infinite chains, built up from Mo 4 O 8 2- and Mo 4 O 8 0 26- cluster units, respectively, are interlinked via Mo-O-Mo bridge bonding to create again four-sided tunnels in which the Ba 2+ ions reside. Other compounds prepared and characterized by analyses and x-ray powder diffraction data are Pb/sub x/Mo 4 O 6 (x approx. 0.6), LiZn 2 Mo 3 O 8 , , CaMo 5 O 8 , K 2 Mo 12 O 19 , and Na 2 Mo 12 O 19

Enhancement of oxygen reduction at Fe tetrapyridyl porphyrin by pyridyl-N coordination to transition metal ions

International Nuclear Information System (INIS)

Maruyama, Jun; Baier, Claudia; Wolfschmidt, Holger; Bele, Petra; Stimming, Ulrich

2012-01-01

One of the promising candidates as noble-metal-free electrode catalysts for polymer electrolyte fuel cells (PEFCs) is a carbon material with nitrogen atoms coordinating iron ions embedded on the surface (Fe-N x moiety) as the active site, although the activity is insufficient compared to conventional platinum-based electrocatalysts. In order to obtain fundamental information on the activity enhancement, a simple model of the Fe-N x active site was formed by adsorbing 5,10,15,20-Tetrakis(4-pyridyl)-21H,23H-porphine iron(III) chloride (FeTPyPCl) on the basal plane of highly oriented pyrolytic graphite (HOPG), and cathodic oxygen reduction was investigated on the surface in 0.1 M HClO 4 . The catalytic activity for oxygen reduction was enhanced by loading transition metal ions (Co 2+ , Ni 2+ , Cu 2+ ) together with FeTPyPCl. The X-ray photoelectron spectrum of the surface suggested that the metal was coordinated by the pyridine-N. The enhancement effect of the transition metals was supported by two different measurements: oxygen reduction at HOPG in 0.1 M HClO 4 dissolving FeTPyPCl and the metal ions; oxygen reduction in 0.1 M HClO 4 at the subsequently well-rinsed and dried HOPG. The ultraviolet–visible spectrum for the solution also suggested the coordination between the pyridyl-N and the metal ions. The oxygen reduction enhancement was attributed to the electronic interaction between the additional transition metal and the Fe center of the porphyrin through the coordination bonds. These results implied that the improvement of the activity of the noble-metal-free catalyst would be possible by the proper introduction of the transition metal ions around the active site.

Effect of oxygen partial pressure on oxidation of Mo-metal

Science.gov (United States)

Sharma, Rabindar Kumar; Kumar, Prabhat; Singh, Megha; Gopal, Pawar; Reddy, G. B.

2018-05-01

This report explains the effect of oxygen partial pressure (PO2 ) on oxidation of Mo-metal in oxygen plasma. XRD results indulge that oxide layers formed on Mo-surfaces at different oxygen partial pressures have two different oxide phases (i.e. orthorhombic MoO3 and monoclinic Mo8O23). Intense XRD peaks at high pressure (i.e. 2.0×10-1 Torr) points out the formation of thick oxide layer on Mo-surface due to presence of large oxygen species in chamber and less oxide volatilization. Whereas, at low PO2 (6.5×10-2 and 7.5×10-2 Torr.) the reduced peak strength is owing to high oxide volatilization rate. SEM micrographs and thickness measurements also support XRD results and confirm that the optimum -2value of PO2 to deposited thicker and uniform oxide film on glass substrate is 7.5×10-2 Torr through plasma assistedoxidation process. Further to study the compositional properties, EDX of the sample M2 (the best sample) is carried out, which confirms that the stoichiometric ratio is less than 3 (i.e. 2.88). Less stoichiometric ratio again confirms the presence of sub oxides in oxide layers on Mo metal as evidenced by XRD results. All the observed results are well in consonance with each other.

Sterilization and decontamination of medical instruments by low-pressure plasma discharges: application of Ar/O2/N2 ternary mixture

International Nuclear Information System (INIS)

Kylian, O; Rossi, F

2009-01-01

A low-pressure inductively coupled plasma discharge sustained in an argon-oxygen-nitrogen ternary mixture is studied in order to evaluate its properties in terms of sterilization and decontamination of surfaces of medical instruments. It is demonstrated by direct comparison with discharges operated in oxygen-nitrogen and oxygen-argon mixtures that application of an Ar/O 2 /N 2 mixture offers the possibility to combine advantageous properties of the binary mixtures, namely, the capability of an O 2 /N 2 plasma to emit intense UV radiation needed for effective inactivation of bacterial spores together with high removal rates of biological substances from Ar/O 2 discharge. Moreover, optimal conditions for both effects are obtained at a similar ternary discharge mixture composition, which is of much interest for real applications, since it offers a highly effective process desired for the safety of medical instruments.

A stable organic-inorganic hybrid layer protected lithium metal anode for long-cycle lithium-oxygen batteries

Science.gov (United States)

Zhu, Jinhui; Yang, Jun; Zhou, Jingjing; Zhang, Tao; Li, Lei; Wang, Jiulin; Nuli, Yanna

2017-10-01

A stable organic-inorganic hybrid layer (OIHL) is direct fabricated on lithium metal surface by the interfacial reaction of lithium metal foil with 1-chlorodecane and oxygen/carbon dioxide mixed gas. This favorable OIHL is approximately 30 μm thick and consists of lithium alkyl carbonate and lithium chloride. The lithium-oxygen batteries with OIHL protected lithium metal anode exhibit longer cycle life (340 cycles) than those with bare lithium metal anode (50 cycles). This desirable performance can be ascribed to the robust OIHL which prevents the growth of lithium dendrites and the corrosion of lithium metal.

Isolation Of PS II Nanoparticles And Oxygen Evolution Studies In Synechococcus Spp. PCC 7942 Under Heavy Metal Stress

Science.gov (United States)

Ahmad, Iffat Zareen; Sundaram, Shanthy; Tripathi, Ashutosh; Soumya, K. K.

2009-06-01

The effect of heavy metals was seen on the oxygen evolution pattern of a unicellular, non-heterocystous cyanobacterial strain of Synechococcus spp. PCC 7942. It was grown in a BG-11 medium supplemented with heavy metals, namely, nickel, copper, cadmium and mercury. Final concentrations of the heavy metal solution used in the culture were 0.1, 0.4 and 1 μM. All the experiments were performed in the exponential phase of the culture. Oxygen-evolving photosystem II (PS II) particles were purified from Synechococcus spp. PCC 7942 by a single-step Ni2+-affinity column chromatography after solubilization of thylakoid membranes with sucrose monolaurate. Oxygen evolution was measured with Clark type oxygen electrode fitted with a circulating water jacket. The light on the surface of the vessel was 10 w/m2. The cultures were incubated in light for 15 minutes prior to the measurement of oxygen evolution. Oxygen evolution was measured in assay mixture containing phosphate buffer (pH-7.5, 0.1 M) in the presence of potassium ferricyanide as the electron acceptor. The preparation from the control showed a high oxygen-evolving activity of 2, 300-2, 500 pmol O2 (mg Chl)-1 h-1 while the activity was decreased in the cultures grown with heavy metals. The inhibition of oxygen evolution shown by the organism in the presence of different metals was in the order Hg>Ni>Cd>Cu. Such heavy metal resistant strains will find application in the construction of PS II- based biosensors for the monitoring of pollutants.

Gases and carbon in metals. Pt. 14

International Nuclear Information System (INIS)

Jehn, H.; Speck, H.; Hehn, W.; Fromm, E.; Hoerz, G.

1981-01-01

This issue is part of a series of data on 'Gases and Carbon in Metals' which supplements the data compilation in the book 'Gase und Kohlenstoff in Metallen' (Gases and Carbon in Metals), edited by E. Fromm and E. Gebhardt, Springer-Verlag, Berlin 1976. The present survey includes results from papers published after the copy deadline and recommends critically selected data. Furthermore, it comprises a bibliography of relevant literature. For each element, firstly data on binary systems are presented, starting with hydrogen and followed by carbon, nitrogen, oxygen, and rare gases. Within one metal-metalloid system the data are listed under topics such as solubility, solubility limit, dissociation pressure of compounds, vapour pressure of volatile oxides, thermodynamic data, diffusion, transport parameters (effective valence, heat of transport), permeation of gases through metals, gas absorption and gas desorption kinetics, compound formation kinetics, precipitation kinetics, and property changes. Following the data on binary systems, the data of ternary systems are presented, beginning with systems which contain one metal and two gases or one gas and carbon and continuing with systems with two metals and one gas or carbon. (orig./GE)

Graphene layer encapsulated metal nanoparticles as a new type of non-precious metal catalysts for oxygen reduction

DEFF Research Database (Denmark)

Hu, Yang; Zhong, Lijie; Jensen, Jens Oluf

2016-01-01

Cheap and efficient non-precious metal catalysts for oxygen reduction have been a focus of research in the field of low-temperature fuel cells. This review is devoted to a brief summary of the recent work on a new type of catalysts, i.e., the graphene layer encapsulated metal nanoparticles....... The discussion is focused on the synthesis, structure, mechanism, performance, and further research....

Binary and ternary systems

International Nuclear Information System (INIS)

Petrov, D.A.

1986-01-01

Conditions for thermodynamical equilibrium in binary and ternary systems are considered. Main types of binary and ternary system phase diagrams are sequently constructed on the basis of general regularities on the character of transition from one equilibria to others. New statements on equilibrium line direction in the diagram triple points and their isothermal cross sections are developed. New represenations on equilibria in case of monovariant curve minimum and maximum on three-phase equilibrium formation in ternary system are introduced

True ternary fission in 310126X

International Nuclear Information System (INIS)

Banupriya, B.; Vijayaraghavan, K.R.; Balasubramaniam, M.

2015-01-01

All possible combinations are minimized by the two dimensional minimization process and minimized with respect to neutron numbers and proton numbers of the fragments. Potential energy is low and Q - value is high at true ternary fission region. It shows that true ternary mode is the dominant mode in the ternary fission of superheavy nuclei. Also, the results show that the fragments with neutron magic numbers are the dominant one in the ternary fission of superheavy nuclei whereas the fragments with proton magic numbers are the dominant one in the ternary fission of heavy nuclei

On the stability of the ternary phases in the La-Co-O system and the nonstoichiometry of lanthanum cobaltate

International Nuclear Information System (INIS)

Seppaenen, Matti

1979-01-01

The crystal structure of La 4 Co 3 O 10 , which is a new ternary phase identified in the present study, was determined by means of X-ray diffraction. It has an orthorhombic symmetry and its space group is most likely Fsub(mmm) (face-centered). On the basis of the thermodynamical studies of the La-Co-O system, the stable ternary phases are LaCoO 3 , La 4 Co 3 O 10 and La 2 CoO 4 . The stability limits of these phases were determined as a function of oxygen activity and temperature, and their molar Gibbs standard formation functions were calculated. Electrons, e', and electron holes, hsup(.), are majority defects in lanthanum cobaltate and their concentrations are exceptionally high and nearly constant in the temperature range 1178 - 1295 K. Under thermodynamically well defined conditions the nonstoichiometry of lanthanum cobaltate was determined as a function of oxygen activity and temperature by coulometric titration. In the oxygen partial pressure and temperature range of the present study the oxygen vacancies were ionic minority defects dependent on the activity of oxygen. Due to the high concentration of electronic defects the oxygen vancancy concentration increases high at low oxygen pressures. Oxygen vacancies behave ideally in lanthanum cobaltate i.e. obey Henry's law when their concentrations are <=0.01. (author)

A new immersion sensor for rapid electrochemical determination of dissolved oxygen in liquid metals

International Nuclear Information System (INIS)

Janke, D.; Schwerdtfeger, K.

1978-01-01

Development of a new solid electrolyte 'needle sensor' with ZrO 2 or ThO 2 electrolyte and metal-metal oxide reference mixture for the rapid determination of oxygen in steel melts. Details of the manufacture of the layer-structured, miniaturized probe. Test results of simultaneous measurements performed with the newly developed ZrO 2 needle sensor and the hitherto usual tubular sensor in iron melts at oxygen activities between 0.00005 and 0.030. (orig.) [de

Proton RBS measurement of the oxygen in heavy-metal oxides

International Nuclear Information System (INIS)

Xie, T.; Ryan, S.R.; Fischbeck, H.J.

1989-01-01

Although the stoichoimetry of high-T c superconductors is often measured using alpha-particle RBS, the small Rutherford cross section for oxygen relative to the high-Z components makes a determination of the oxygen content difficult. Above 1 MeV, the cross section for proton backscattering from oxygen becomes significantly greater than the Rutherford cross section. Studies of proton backscattering in CuO between 0.6 and 2.0 MeV show that it is possible to measure the oxygen content of high-Z metal oxides. RBS simulations using the Bragg-rule stopping power consistently underestimate the low-energy yield. Scaling the stopping power by a linear function of energy to reduce loss at low energy improves the simulation in CuO, Cu and Au. This general result suggests that the standard RBS simulation procedure may omit some relevant physics. (orig.)

Superconductivity in ternary rare earth transition metal silicides and germanides with the Sc5Co4Si10-type structure

International Nuclear Information System (INIS)

Berg, L.S.

1986-01-01

A systematic study of the superconducting and normal state properties of some ternary rare earth transition metal silicides and germanides of the Sc 5 Co 4 Si 10 0-type is reported. Low temperature heat capacity measurements indicate the presence of a complicated phonon density of states in these structurally complex compounds. A better description of the phonon spectrum of the high T/sub c/ materials Sc 5 Rh 4 Si 10 , Sc 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10 , given by a model proposed by Junod et al., is presented and discussed. The large values of ΔC/γ/sub n/T/sub c/ and the electron-phonon coupling constant for these high T/sub c/ compounds indicate that they are strong-coupled superconductors. Relative to other ternary superconductors, many of these materials have large Debye temperatures. DC electrical resistivity measurements on these compounds show resistivity behavior deviating from those exhibited by simple metals. The rho(T) data for Y 5 Ir 4 Si 10 , Lu 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10 , indicate the presence of anomalies. Static molar magnetic susceptibility measurements performed on these compounds indicate (1) a small effective magnetic moment of 0.26μ/sub B/ on the Co atom and (2) anomalous behaviors in the Lu 5 Rh 4 Si 10 , Lu 5 Ir 4 Si 10 , Y 5 Ir 4 Si 10 , Lu 5 Ir 4 Ge 10 , and Y 5 Rh 4 Ge 10 data. Lastly, upper critical magnetic field measurements were performed on Sc 5 Co 4 Si 10 , Sc 5 Rh 4 Si 10 , Sc 5 Ir 4 Si 10 , Lu 5 Rh 4 Si 10 , Lu 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10

New ternary superconducting germanides

Science.gov (United States)

Moschalkov, V. V.; Muttik, I. G.; Samarin, N. A.; Seropegin, Yu. D.; Rudometkina, M. V.

1991-12-01

We have studied the structure, electrical and magnetic properties of new ternary compounds with germanium and transition metals of IV and V groups (Ti 0.7V 0.3Ge 3, Hf 2V 3Ge, Zr 32-36V 32-36Ge 30-32, Hf 2Nb 3Ge 4, HfVGe, Zr 15-17V 39-40Ge 44-45, Hf 10.8-21.7V 36.0-42.8). The homogeneity fields for all new phases are determined. Resistivity (T) and magnetic susceptibility χ(T) are investigated at T=4.2…300 K. Two new superconductors have been found - Zr 32-36V 32-36Ge 30-32 and HfVGe with T c=4.7 K and 5.7 K, respectively.

Oxygen partial pressure: a key to alloying and discovery in metal oxide--metal eutectic systems

International Nuclear Information System (INIS)

Holder, J.D.; Clark, G.W.; Oliver, B.F.

1978-01-01

Control of oxygen partial pressure is essential in the directional solidification of oxide--metal eutectic composites by techniques involving gas-solid and gas-liquid interactions. The existence of end components in the eutectic composite is Po 2 sensitive as are melt stoichiometry, solid phase compositions, and vapor losses due to oxidation-volatilization. Simple criteria are postulated which can aid the experimentalist in selecting the proper gas mixture for oxide--metal eutectic composite growth. The Cr 2 O 3 --Mo--Cr systems was used to verify certain aspects of the proposed criteria

Emission of positive oxygen ions from ion bombardment of adsorbate-covered metal surfaces

International Nuclear Information System (INIS)

Kaurin, M.G.

1989-01-01

During ion bombardment of metal surfaces, collision cascades can result in the emission of sputtered secondary ions. Recent experiments, however, have suggested that the emission of positive ions of electronegative adsorbates can result from electronic processes rather than from processes involving elastic collisions. This dissertation presents the results of experiments studying the emission of positive oxygen ions from oxygen- and carbon-monoxide-covered transition metal surfaces during bombardment by 25-250 keV ions of neon, argon, and krypton. The systems studied may be grouped into four categories. For a nickel substrate with adsorbed oxygen, the emission of positive oxygen ions proceeds through collision cascades. For titanium and niobium with adsorbed oxygen, the emission of positive oxygen ions is proportional to the primary ion velocity, consistent with emission from electronic processes; for a given primary ion velocity, the oxygen ion yield is independent of primary ion species. For substrates of molybdenum and tungsten, the oxygen yield is proportional to primary ion velocity, but the yield also depends on the primary ion species for a given primary ion velocity in a manner that is consistent with emission resulting from electronic processes. For these two groups, except for titanium, the yields during neon ion bombardment do not extrapolate (assuming linearity with primary ion velocity) to a nonzero value at zero beam velocity. The magnitude of the oxygen ion yields from these targets is not consistent with that expected if the emission were induced by secondary electrons emitted during the ion bombardment

Neutron Damage and MAX Phase Ternary Compounds

Energy Technology Data Exchange (ETDEWEB)

Barsoum, Michael [Drexel Univ., Philadelphia, PA (United States); Hoffman, Elizabeth [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Sindelar, Robert [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Garcua-Duaz, Brenda [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Kohse, Gordon [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

2014-06-17

The Demands of Gen IV nuclear power plants for long service life under neutron radiation at high temperature are severe. Advanced materials that would withstand high temperatures (up to 1000+ C) to high doses in a neutron field would be ideal for reactor internal structures and would add to the long service life and reliability of the reactors. The objective of this work is to investigate the response of a new class of machinable, conductive, layered, ternary transition metal carbides and nitrides - the so-called MAX phases - to low and moderate neutron dose levels.

Neutron Damage and MAX Phase Ternary Compounds

International Nuclear Information System (INIS)

Barsoum, Michael; Hoffman, Elizabeth; Sindelar, Robert; Garcua-Diaz, Brenda; Kohse, Gordon

2014-01-01

The Demands of Gen IV nuclear power plants for long service life under neutron radiation at high temperature are severe. Advanced materials that would withstand high temperatures (up to 1000+ C) to high doses in a neutron field would be ideal for reactor internal structures and would add to the long service life and reliability of the reactors. The objective of this work is to investigate the response of a new class of machinable, conductive, layered, ternary transition metal carbides and nitrides - the so-called MAX phases - to low and moderate neutron dose levels.

Description of the ternary system Cu-Ge-Te

International Nuclear Information System (INIS)

Dogguy, M.; Carcaly, C.; Rivet, J.; Flahaut, J.

1977-01-01

The Cu-Ge-Te ternary system has been studied by DTA and by crystallographic and metallographic analysis. The existence of a ternary compound Cu 2 GeTe 3 is demonstrated; this compound has a ternary incongruent melting point at 500 0 C. This ternary compound has a superstructure of a zinc blende type. The study shows the existence of five ternary eutectics. Two liquid-liquid miscibility gaps exist: the first is situated entirely in the ternary system; the second gives a monotectic region within the ternary system. (Auth.)

Ternary carbide uranium fuels for advanced reactor design applications

International Nuclear Information System (INIS)

Knight, Travis; Anghaie, Samim

1999-01-01

Solid-solution mixed uranium/refractory metal carbides such as the pseudo-ternary carbide, (U, Zr, Nb)C, hold significant promise for advanced reactor design applications because of their high thermal conductivity and high melting point (typically greater than 3200 K). Additionally, because of their thermochemical stability in a hot-hydrogen environment, pseudo-ternary carbides have been investigated for potential space nuclear power and propulsion applications. However, their stability with regard to sodium and improved resistance to attack by water over uranium carbide portends their usefulness as a fuel for advanced terrestrial reactors. An investigation into processing techniques was conducted in order to produce a series of (U, Zr, Nb)C samples for characterization and testing. Samples with densities ranging from 91% to 95% of theoretical density were produced by cold pressing and sintering the mixed constituent carbides at temperatures as high as 2650 K. (author)

From Oxygen Generation to Metals Production: In Situ Resource Utilization by Molten Oxide Electrolysis

Science.gov (United States)

Khetpal, Deepak; Ducret, Andrew C.; Sadoway, Donald R.

2003-01-01

For the exploration of other bodies in the solar system, electrochemical processing is arguably the most versatile technology for conversion of local resources into usable commodities: by electrolysis one can, in principle, produce (1) breathable oxygen, (2) silicon for the fabrication of solar cells, (3) various reactive metals for use as electrodes in advanced storage batteries, and (4) structural metals such as steel and aluminum. Even so, to date there has been no sustained effort to develop such processes, in part due to the inadequacy of the database. The objective here is to identify chemistries capable of sustaining molten oxide electrolysis in the cited applications and to examine the behavior of laboratory-scale cells designed to generate oxygen and to produce metal. The basic research includes the study of the underlying high-temperature physical chemistry of oxide melts representative of lunar regolith and of Martian soil. To move beyond empirical approaches to process development, the thermodynamic and transport properties of oxide melts are being studied to help set the limits of composition and temperature for the processing trials conducted in laboratory-scale electrolysis cells. The goal of this investigation is to deliver a working prototype cell that can use lunar regolith and Martian soil to produce breathable oxygen along with metal by-product. Additionally, the process can be generalized to permit adaptation to accommodate different feedstock chemistries, such as those that will be encountered on other bodies in the solar system. The expected results of this research include: (1) the identification of appropriate electrolyte chemistries; (2) the selection of candidate anode and cathode materials compatible with electrolytes named above; and (3) performance data from a laboratory-scale cell producing oxygen and metal. On the strength of these results it should be possible to assess the technical viability of molten oxide electrolysis for in

Theoretical study of physical properties and oxygen incorporation effect in nanolaminated ternary carbides 211-MAX phases

KAUST Repository

Kanoun, Mohammed; Goumri-Said, Souraya

2012-01-01

In this chapter, we employ ab initio approaches to review some important physical properties of nanolaminated ternary carbides MAX phases. We fi rstly use an all electron full-potential linearized augmented plane-wave method within the generalized

Metal porphyrin intercalated reduced graphene oxide nanocomposite utilized for electrocatalytic oxygen reduction

Directory of Open Access Journals (Sweden)

Mingyan Wang

2017-07-01

Full Text Available In this paper, we report a simple and facile self-assembly method to successfully fabricate cationic metal porphyrin –MtTMPyP (Mt= Cobalt (II, Manganese (III, or Iron (III; TMPyP = 5, 10, 15, 20-tetrakis (N-methylpyridinium-4-yl porphyrin intercalated into the layer of graphene oxide (GO by the cooperative effects of electrostatic and π–π stacking interaction between positively charged metal porphyrin and negatively charged GO sheets. Followed by reduction with hydrazine vapor, a series of novel 2D MtTMPyP/rGOn were fabricated. The as-prepared 2D hybrids were fully characterized and tested as non-noble metal catalysts for oxygen reduction reaction (ORR in an alkaline medium. The MtTMPyP/rGOn hybrids, especially CoTMPyP/rGO5, demonstrated an improved electrocatalytic activity for ORR and a number of exchanged electrons close to 4-electron reaction, increased stability and excellent tolerance to methanol, showing a potential alternative catalyst for ORR in fuel cells and air batteries. Keywords: Metal porphyrin, Reduced graphene oxide, Intercalation, Oxygen reduction reaction, Catalyst

Ternary-fragmentation-driving potential energies of 252Cf

Science.gov (United States)

Karthikraj, C.; Ren, Zhongzhou

2017-12-01

Within the framework of a simple macroscopic model, the ternary-fragmentation-driving potential energies of 252Cf are studied. In this work, all possible ternary-fragment combinations of 252Cf are generated by the use of atomic mass evaluation-2016 (AME2016) data and these combinations are minimized by using a two-dimensional minimization approach. This minimization process can be done in two ways: (i) with respect to proton numbers (Z1, Z2, Z3) and (ii) with respect to neutron numbers (N1, N2, N3) of the ternary fragments. In this paper, the driving potential energies for the ternary breakup of 252Cf are presented for both the spherical and deformed as well as the proton-minimized and neutron-minimized ternary fragments. From the proton-minimized spherical ternary fragments, we have obtained different possible ternary configurations with a minimum driving potential, in particular, the experimental expectation of Sn + Ni + Ca ternary fragmentation. However, the neutron-minimized ternary fragments exhibit a driving potential minimum in the true-ternary-fission (TTF) region as well. Further, the Q -value energy systematics of the neutron-minimized ternary fragments show larger values for the TTF fragments. From this, we have concluded that the TTF region fragments with the least driving potential and high Q values have a strong possibility in the ternary fragmentation of 252Cf. Further, the role of ground-state deformations (β2, β3, β4, and β6) in the ternary breakup of 252Cf is also studied. The deformed ternary fragmentation, which involves Z3=12 -19 fragments, possesses the driving potential minimum due to the larger oblate deformations. We also found that the ground-state deformations, particularly β2, strongly influence the driving potential energies and play a major role in determining the most probable fragment combinations in the ternary breakup of 252Cf.

Design and synthesis of hierarchical MnO2 nanospheres/carbon nanotubes/conducting polymer ternary composite for high performance electrochemical electrodes.

Science.gov (United States)

Hou, Ye; Cheng, Yingwen; Hobson, Tyler; Liu, Jie

2010-07-14

For efficient use of metal oxides, such as MnO(2) and RuO(2), in pseudocapacitors and other electrochemical applications, the poor conductivity of the metal oxide is a major problem. To tackle the problem, we have designed a ternary nanocomposite film composed of metal oxide (MnO(2)), carbon nanotube (CNT), and conducting polymer (CP). Each component in the MnO(2)/CNT/CP film provides unique and critical function to achieve optimized electrochemical properties. The electrochemical performance of the film is evaluated by cyclic voltammetry, and constant-current charge/discharge cycling techniques. Specific capacitance (SC) of the ternary composite electrode can reach 427 F/g. Even at high mass loading and high concentration of MnO(2) (60%), the film still showed SC value as high as 200 F/g. The electrode also exhibited excellent charge/discharge rate and good cycling stability, retaining over 99% of its initial charge after 1000 cycles. The results demonstrated that MnO(2) is effectively utilized with assistance of other components (fFWNTs and poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) in the electrode. Such ternary composite is very promising for the next generation high performance electrochemical supercapacitors.

High-Efficient Circuits for Ternary Addition

Directory of Open Access Journals (Sweden)

Reza Faghih Mirzaee

2014-01-01

Full Text Available New ternary adders, which are fundamental components of ternary addition, are presented in this paper. They are on the basis of a logic style which mostly generates binary signals. Therefore, static power dissipation reaches its minimum extent. Extensive different analyses are carried out to examine how efficient the new designs are. For instance, the ternary ripple adder constructed by the proposed ternary half and full adders consumes 2.33 μW less power than the one implemented by the previous adder cells. It is almost twice faster as well. Due to their unique superior characteristics for ternary circuitry, carbon nanotube field-effect transistors are used to form the novel circuits, which are entirely suitable for practical applications.

Hardness and Microstructure of Binary and Ternary Nitinol Compounds

Science.gov (United States)

Stanford, Malcolm K.

2016-01-01

The hardness and microstructure of twenty-six binary and ternary Nitinol (nickel titanium, nickel titanium hafnium, nickel titanium zirconium and nickel titanium tantalum) compounds were studied. A small (50g) ingot of each compound was produced by vacuum arc remelting. Each ingot was homogenized in vacuum for 48 hr followed by furnace cooling. Specimens from the ingots were then heat treated at 800, 900, 1000 or 1100 degree C for 2 hr followed by water quenching. The hardness and microstructure of each specimen was compared to the baseline material (55-Nitinol, 55 at.% nickel - 45 at.% titanium, after heat treatment at 900 degC). The results show that eleven of the studied compounds had higher hardness values than the baseline material. Moreover, twelve of the studied compounds had measured hardness values greater 600HV at heat treatments from 800 to 900 degree C.

First-principles study on half-metallic ferromagnetic properties of Zn{sub 1-x}V{sub x}Se ternary alloys

Energy Technology Data Exchange (ETDEWEB)

Khatta, Swati; Tripathi, S.K.; Prakash, Satya [Panjab University, Central of Advanced Study in Physics, Department of Physics, Chandigarh (India)

2017-09-15

The spin-polarised density functional theory along with self-consistent plane-wave pseudopotential is used to investigate the half-metallic ferromagnetic properties of ternary alloys Zn{sub 1-x}V{sub x}Se. The generalized gradient approximation is used for exchange-correlation potential. The equilibrium lattice constants, bulk modulus, and its derivatives are calculated. The calculated spin-polarised energy-band structures reveal that these alloys are half-metallic for x = 0.375 and 0.50 and nearly half-metallic for other values of x. The estimated direct and indirect bandgaps may be useful for the magneto-optical absorption experiments. It is found that there is strong Zn 4s, Se 4p, and V 3d orbital hybridization in the conduction bands of both the spins, while Se 4p and V 3d orbital hybridization predominates in the valence bands of both the spins. The s, p-d, and p-d orbital hybridization reduces the local magnetic moment of V atoms and small local magnetic moments are produced on Zn and Se atoms which get coupled with V atoms in ferromagnetic and antiferromagnetic phases, respectively. The conduction and valence-band-edge splittings and exchange constants predict the ferromagnetism in these alloys. The conduction band-impurity (s and p-d) exchange interaction is more significant for ferromagnetism in these alloys than the valence band-impurity (p-d) exchange interaction. (orig.)

Tetragonal ternary borides: superconductivity, ferromagnetism and the role of scandium

International Nuclear Information System (INIS)

Matthias, B.T.; Patel, C.K.N.; Barz, H.; Corenzwit, E.; Vandenberg, J.M.

1978-01-01

The authors report and discuss two discoveries made while studying the condensation phenomena of ternary rhodium borides, MRh 4 B 4 . M is generally a trivalent transition metal, usually a rare earth element RE. An exception is scandium which by itself does not form an isomorphous boride, but in combination with many other elements will do just that. A suprising correlation between ferromagnetic and superconducting transition temperatures has been found. (Auth.)

Sterilization and decontamination of medical instruments by low-pressure plasma discharges: application of Ar/O{sub 2}/N{sub 2} ternary mixture

Energy Technology Data Exchange (ETDEWEB)

Kylian, O [Charles University, Faculty of Mathematics and Physics, V Holesovickach 2, Prague 8, 180 00 (Czech Republic); Rossi, F, E-mail: francois.rossi@jrc.i [European Commission, Joint Research Centre, Institute for Health and Consumer Protection, Via E Fermi 2749, 21027 Ispra (Vatican City State, Holy See) (Italy)

2009-04-21

A low-pressure inductively coupled plasma discharge sustained in an argon-oxygen-nitrogen ternary mixture is studied in order to evaluate its properties in terms of sterilization and decontamination of surfaces of medical instruments. It is demonstrated by direct comparison with discharges operated in oxygen-nitrogen and oxygen-argon mixtures that application of an Ar/O{sub 2}/N{sub 2} mixture offers the possibility to combine advantageous properties of the binary mixtures, namely, the capability of an O{sub 2}/N{sub 2} plasma to emit intense UV radiation needed for effective inactivation of bacterial spores together with high removal rates of biological substances from Ar/O{sub 2} discharge. Moreover, optimal conditions for both effects are obtained at a similar ternary discharge mixture composition, which is of much interest for real applications, since it offers a highly effective process desired for the safety of medical instruments.

Cathode architectures for alkali metal / oxygen batteries

Science.gov (United States)

Visco, Steven J; Nimon, Vitaliy; De Jonghe, Lutgard C; Volfkovich, Yury; Bograchev, Daniil

2015-01-13

Electrochemical energy storage devices, such as alkali metal-oxygen battery cells (e.g., non-aqueous lithium-air cells), have a cathode architecture with a porous structure and pore composition that is tailored to improve cell performance, especially as it pertains to one or more of the discharge/charge rate, cycle life, and delivered ampere-hour capacity. A porous cathode architecture having a pore volume that is derived from pores of varying radii wherein the pore size distribution is tailored as a function of the architecture thickness is one way to achieve one or more of the aforementioned cell performance improvements.

Direct femtosecond observation of charge carrier recombination in ternary semiconductor nanocrystals: The effect of composition and shelling

KAUST Repository

Bose, Riya; Ahmed, Ghada H.; Alarousu, Erkki; Parida, Manas R.; Abdelhady, Ahmed L.; Bakr, Osman; Mohammed, Omar F.

2015-01-01

Heavy-metal free ternary semiconductor nanocrystals are emerging as key materials in photoactive applications. However, the relative abundance of intra-bandgap defect states and lack of understanding of their origins within this class

First-principles calculation of the structural and elastic properties of ternary metal nitrides TaxMo1-xN and TaxW1-xN

Science.gov (United States)

Bouamama, Kh.; Djemia, P.; Benhamida, M.

2015-09-01

First-principles pseudo-potentials calculations of the mixing enthalpy, of the lattice constants a0 and of the single-crystal elastic constants cij for ternary metal nitrides TaxMe1-xN (Me=Mo or W) alloys considering the cubic B1-rocksalt structure is carried out. For disordered ternary alloys, we employ the virtual crystal approximation VCA in which the alloy pseudopotentials are constructed within a first-principles VCA scheme. The supercell method SC is also used for ordered structures in order to evaluate clustering effects. We find that the mixing enthalpy still remains negative for TaxMe1-xN alloys in the whole composition range which implies these cubic TaxMo1-xN and TaxW1-xN ordered solid solutions are stable. We investigate the effect of Mo and W alloying on the trend of the mechanical properties of TaN. The effective shear elastic constant c44, the Cauchy pressure (c12-c44), and the shear to bulk modulus G/B ratio are used to discuss, respectively, the mechanical stability of the ternary structure and the brittle/ductile behavior in reference to TaN, MeN alloys. We determine the onset transition from the unstable structure to the stable one B1-rocksalt from the elastic stability criteria when alloying MeN with Ta. In a second stage, in the frame of anisotropic elasticity, we estimate by one homogenization method the averaged constants of the polycrystalline TaxMe1-xN alloys considering the special case of an isotropic medium with no crystallographic texture.

Studies on ternary silver sulfides; Fukugo gin ryukabutsu ni kansuru kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-10-31

Some sulfides containing silver show high ion mobility based on movability of silver, whose application is expected. Studies have been carried out centrally on synthesis of new compounds of ternary silver sulfides by elucidating the relationship among their compositions, structures and properties by means of crystal chemical studies mainly on their phase relationship. A few new compounds have been synthesized, such as the ones having the argyrodite family compound structure including transition metals. The synthesizing process takes a kind of turbulent liquid state structure at elevated temperatures because of movability of silver, but silver is fixed at low temperatures in different sites between skeleton structures made by other atoms. These studies on phase transfer, structures, and silver movability have been based on X-ray diffraction, infrared and Raman spectroscopic measurements, NMR, measurements of electric and thermal characteristics. For the studies related to compositions and structures of ternary metal sulfides which take compound crystalline structure, a structure analyzing method based on multi-dimensional hyperspatial groups was used. This paper reports the summary of the studies in seven chapters, and dwells on the remaining problems and future prospects. 158 refs., 114 figs., 65 tabs.

Comparative study of binary and ternary complexes of some rare earths

International Nuclear Information System (INIS)

Makhijani, S.D.; Sangal, S.P.

1978-01-01

Modified form of Irving and Rossotti's pH titration technique has been used to evaluate and compare the stability constants of the binary and ternary complexes of Sc(III), Y(III), La(III), Pr(III), Nd(III) and Sm(III) at 30 0 at an ionic strength of 0.2M NaClO 4 . For the study of ternary complexes, nitrilotriacetic acid has been used as a primary ligand and polyhydroxy phenols i.e. pyrocatechol (PYC), pyrogallol (PYG) and gallic acid (GA) as secondary ligands. The stability constants of the binary complexes were found to be more than those of the corresponding ternary complexes which can reasonably be explained on the basis of electrostatic force between primary complex (metal in the case of binary complex) and secondary ligand, and space available to accommodate the secondary ligand. The stability decreases with the increase in ionic radii, i.e. Sc(III)>Y(III)>Sm(III)>Nd(III)>Pr(III)>La(III). In terms of secondary ligand, it follows the order PYC>GA>PYG. Rare earths form only 1:1 binary complex, and 1:1:1 mixed ligand complex in all the cases. (author)

Study of mixed ternary transition metal ferrites as potential electrodes for supercapacitor applications

Science.gov (United States)

Bhujun, Bhamini; Tan, Michelle T. T.; Shanmugam, Anandan S.

Nanocrystallites of three mixed ternary transition metal ferrite (MTTMF) were prepared by a facile sol-gel method and adopted as electrode material for supercapacitors. The phase development of the samples was determined using Fourier transform infrared (FT-IR) and thermal gravimetric analysis (TG). X-ray diffraction (XRD) analysis revealed the formation of a single-phase spinel ferrite in CuCoFe2O4 (CuCoF), NiCoFe2O4 (NiCoF) and NiCuFe2O4 (NiCuF). The surface characteristics and elemental composition of the nanocomposites have been studied by means of field emission scanning electron microscopy (FESEM), as well as energy dispersive spectroscopy (EDS). The electrochemical performance of the nanomaterials was evaluated using a two-electrode configuration by cyclic voltammetry, electrochemical impedance spectroscopy and galvanostatic technique in 1 M KOH electrolyte and was found to be in the order of: CuCoF > NiCoF > NiCuF. A maximum specific capacitance of 221 Fg-1 was obtained with CuCoF at a scan rate of 5 mV s-1. In addition to an excellent cycling stability, an energy density of 7.9 kW kg-1 was obtained at a current density of 1 Ag-1. The high electrochemical performance of the MTTMF nanocomposites obtained indicates that these materials are promising electrodes for supercapacitors.

Inclusion complex formation of ternary system: Fluoroscein-p-sulfonato calix[4]arene-Cu(2+) by cooperative binding.

Science.gov (United States)

Gawhale, Sharadchandra; Jadhav, Ankita; Rathod, Nilesh; Malkhede, Dipalee; Chaudhari, Gajanan

2015-09-05

The aqueous solution of fluorescein-para sulfonato calix[4]arene-metal ion complex has been studied based on absorption, fluorescence, (1)H NMR and FTIR spectroscopic results. It was found that the fluorescence intensity quenched regularly upon addition of pSCX4 and metal ion. The quenching constants and binding constants were determined for pSCX4-FL and pSCX4-FL-Cu(2+) systems. 1:1 stoichiometry is obtained for pSCX4-Cu(2+) system by continuous variation method. The NMR and IR results indicates the interaction among FL, pSCX4 and Cu(2+). The combined results demonstrate the cooperative binding to design the complex for ternary system. The life time for binary and ternary system has been studied. Copyright © 2015 Elsevier B.V. All rights reserved.

Ternary q-Virasoro-Witt Hom-Nambu-Lie algebras

International Nuclear Information System (INIS)

Ammar, F; Makhlouf, A; Silvestrov, S

2010-01-01

In this paper we construct ternary q-Virasoro-Witt algebras which q-deform the ternary Virasoro-Witt algebras constructed by Curtright, Fairlie and Zachos using su(1, 1) enveloping algebra techniques. The ternary Virasoro-Witt algebras constructed by Curtright, Fairlie and Zachos depend on a parameter and are not Nambu-Lie algebras for all but finitely many values of this parameter. For the parameter values for which the ternary Virasoro-Witt algebras are Nambu-Lie, the corresponding ternary q-Virasoro-Witt algebras constructed in this paper are also Hom-Nambu-Lie because they are obtained from the ternary Nambu-Lie algebras using the composition method. For other parameter values this composition method does not yield a Hom-Nambu-Lie algebra structure for q-Virasoro-Witt algebras. We show however, using a different construction, that the ternary Virasoro-Witt algebras of Curtright, Fairlie and Zachos, as well as the general ternary q-Virasoro-Witt algebras we construct, carry a structure of the ternary Hom-Nambu-Lie algebra for all values of the involved parameters.

Oxygen evolution reaction catalysis

Energy Technology Data Exchange (ETDEWEB)

Haber, Joel A.; Jin, Jian; Xiang, Chengxiang; Gregoire, John M.; Jones, Ryan J.; Guevarra, Dan W.; Shinde, Aniketa A.

2016-09-06

An Oxygen Evolution Reaction (OER) catalyst includes a metal oxide that includes oxygen, cerium, and one or more second metals. In some instances, the cerium is 10 to 80 molar % of the metals in the metal oxide and/or the catalyst includes two or more second metals. The OER catalyst can be included in or on an electrode. The electrode can be arranged in an oxygen evolution system such that the Oxygen Evolution Reaction occurs at the electrode.

Evaluation of Additively Manufactured Metals for Use in Oxygen Systems Project

Science.gov (United States)

Tylka, Jonathan; Cooper, Ken; Peralta, Stephen; Wilcutt, Terrence; Hughitt, Brian; Generazio, Edward

2016-01-01

Space Launch System, Commercial Resupply, and Commercial Crew programs have published intent to use additively manufactured (AM) components in propulsion systems and are likely to include various life support systems in the future. Parts produced by these types of additive manufacturing techniques have not been fully evaluated for use in oxygen systems and the inherent risks have not been fully identified. Some areas of primary concern in the SLS process with respect to oxygen compatibility may be the porosity of the printed parts, fundamental differences in microstructure of an AM part as compared to traditional materials, or increased risk of shed metal particulate into an oxygen system. If an ignition were to occur the printed material could be more flammable than components manufactured from a traditional billet of raw material and/or present a significant hazards if not identified and rigorously studied in advance of implementation into an oxygen system.

Plutonium microstructures. Part 2. Binary and ternary alloys

International Nuclear Information System (INIS)

Cramer, E.M.; Bergin, J.B.

1983-12-01

This report is the second of three parts that exhibit illustrations of inclusions in plutonium metal from inherent and tramp impurities, of intermetallic and nonmetallic constituents from alloy additions, and of the effects of thermal and mechanical treatments. This part includes illustrations of the microstructures in binary cast alloys and a few selected ternary alloys that result from measured additions of diluent elements, and of the microconstituents that are characteristic of phase fields in extended alloy systems. Microhardness data are given and the etchant used in the preparation of each sample is described

Ternary nitrides for hydrogen storage: Li-B-N, Li-Al-N and Li-Ga-N systems

International Nuclear Information System (INIS)

Langmi, Henrietta W.; McGrady, G. Sean

2008-01-01

This paper reports an investigation of hydrogen storage performance of ternary nitrides based on lithium and the Group 13 elements boron, aluminum and gallium. These were prepared by ball milling Li 3 N together with the appropriate Group 13 nitride-BN, AlN or GaN. Powder X-ray diffraction of the products revealed that the ternary nitrides obtained are not the known Li 3 BN 2 , Li 3 AlN 2 and Li 3 GaN 2 phases. At 260 deg. C and 30 bar hydrogen pressure, the Li-Al-N ternary system initially absorbed 3.7 wt.% hydrogen, although this is not fully reversible. We observed, for the first time, hydrogen uptake by a pristine ternary nitride of Li and Al synthesized from the binary nitrides of the metals. While the Li-Ga-N ternary system also stored a significant amount of hydrogen, the storage capacity for the Li-B-N system was near zero. The hydrogenation reaction is believed to be similar to that of Li 3 N, and the enthalpies of hydrogen absorption for Li-Al-N and Li-Ga-N provide evidence that AlN and GaN, as well as the ball milling process, play a significant role in altering the thermodynamics of Li 3 N

Transition Metal Oxides for the Oxygen Reduction Reaction: Influence of the Oxidation States of the Metal and its Position on the Periodic Table.

Science.gov (United States)

Toh, Rou Jun; Sofer, Zdeněk; Pumera, Martin

2015-11-16

Electrocatalysts have been developed to meet the needs and requirements of renewable energy applications. Metal oxides have been well explored and are promising for this purpose, however, many reports focus on only one or a few metal oxides at once. Herein, thirty metal oxides, which were either commercially available or synthesized by a simple and scalable method, were screened for comparison with regards to their electrocatalytic activity towards the oxygen reduction reaction (ORR). We show that although manganese, iron, cobalt, and nickel oxides generally displayed the ability to enhance the kinetics of oxygen reduction under alkaline conditions compared with bare glassy carbon, there is no significant correlation between the position of a metal on the periodic table and the electrocatalytic performance of its respective metal oxides. Moreover, it was also observed that mixed valent (+2, +3) oxides performed the poorest, compared with their respective pure metal oxides. These findings may be of paramount importance in the field of renewable energy. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The ternary system Zr-Cr-O. Equilibrium diagrams in the zirconium rich zone at different temperatures

International Nuclear Information System (INIS)

Gonzalez, Ruben O.; Gribaudo, Luis M.

2003-01-01

Equilibria among hcp α, bcc β solid solutions and cubic C 15 type intermetallic ZrCr 2 are represented graphically over Gibbs triangles in the Zr-rich zone of the ternary Zr-Cr-O system. Experimental results are obtained from zirconium-based alloys containing different oxygen compositions (0,24 and 0,62 % at.). Phase boundaries of the ternary system are extrapolated to the Zr-O and Zr-Cr binaries. The obtained values are compared to recently published evaluated diagrams of these two systems. Chromium compositions of the studied alloys were 0,3 - 1 - 2 - 4 and 15 at. %. Thermal treatment temperatures in order to allow equilibria in alloys were 840, 860, 900 and 960 C degrees. (author)

Synthesis and characterization of ternary Pt-Ni-M/C (M=Cu, Fe, Ce, Mo, W) nano-catalysts for low temperature fuel cells

International Nuclear Information System (INIS)

Ahmed, Riaz; Jamil, Rabia; Ansari, Muhammad Shahid

2014-01-01

Ternary metal catalysts were synthesized by impregnation method. The mixture of metal solutions was reduced slowly under inert atmosphere and the reduced metals were deposited on the Vulcan Carbon(VC). Tungsten, molybdenum, cerium, iron and copper were added to specified amounts of platinum and nickel. Addition of nickel generally improves catalytic activity of platinum. The XRD of the catalysts was done and the crystallite size and other parameters were calculated. Crystallite sizes were in the range of 5 to 16 nm. Electrochemical surface areas of the catalysts were determined by cyclic voltammetry (CV) in acidic media and are compared. Electro oxidation of methanol on the catalysts was done and peak potential, peak current, mass activity of the catalysts were calculated and are compared. These parameters were determined in acidic and basic media. It was found that mass activity increased significantly in basic media. Rate constants for the electro oxidation of methanol were also calculated in acidic and basic media and are compared and discussed. Rate constants were generally higher in basic media. Ternary catalysts showed improved catalytic activity than the binary catalyst. Nano alloying improved the catalytic activity and stability of the ternary catalysts

Susceptibility of ternary aluminum alloys to cracking during solidification

International Nuclear Information System (INIS)

Liu, Jiangwei; Kou, Sindo

2017-01-01

The crack susceptibility map of a ternary Al alloy system provides useful information about which alloy compositions are most susceptible to cracking and thus should be avoided by using a filler metal with a significantly different composition. In the present study the crack susceptibility maps of ternary Al alloy systems were calculated based on the maximum |dT/d(f S ) 1/2 | as an index for the crack susceptibility, where T is temperature and f S fraction solid. Due to the complexity associated with ternary alloy solidification, commercial thermodynamic software Pandat and Al database PanAluminum, instead of analytical equations, were used to calculate f S as a function of T and hence the maximum |dT/d(f S ) 1/2 | for ternary Al-Mg-Si, Al-Cu-Mg and Al-Cu-Si alloy systems. A crack susceptibility map covering 121 alloy compositions was constructed for each of the three ternary alloy systems at each of the following three levels of back diffusion: no back diffusion, back diffusion under a 100 °C/s cooling rate, and back diffusion under 20° C/s. The location of the region of high crack susceptibility, which is the most important part of the map, was shown in each of the nine calculated maps. These locations were compared with those observed in crack susceptibility tests by previous investigators. With back diffusion considered, either under 20 or 100 °C/s, the agreement between the calculated and observed maps was good especially for Al-Mg-Si and Al-Cu-Mg. Thus, the maximum |dT/d(f S ) 1/2 | can be used as a crack susceptibility index to construct crack susceptibility maps for ternary Al alloys and to evaluate the effect of back diffusion on their crack susceptibility. - Graphical abstract: The crack susceptibility map of a ternary alloy system indicates the composition range most susceptible to cracking, which should be avoided in welding or casting. The crack susceptibility maps of ternary Al alloy systems Al-Mg-Si, Al-Cu-Mg and Al-Cu-Si were calculated based

Thermodynamics of oxygen in solid solution in vanadium and niobium--vanadium alloys

International Nuclear Information System (INIS)

Steckel, G.L.

1977-01-01

A thermodynamic study was made of the vanadium-oxygen and niobium-vanadium-oxygen systems utilizing the solid state galvanic cell technique. Investigations were made with a ThO 2 /Y 2 O 3 electrolyte over the temperature ranges 700 to 1200 0 C (973 to 1473 K) for the binary system and 650 to 1150 0 C (923 to 1423 K) for the ternary system. The activity of oxygen in vanadium obeys Henry's law for the temperatures of this investigation for concentrations up to 3.2 at. percent oxygen. For higher concentrations the activity coefficient shows positive deviations from Henry's law. The terminal solubility of oxygen in vanadium was determined. The activity of oxygen in Nb--V alloys obeys Henry's law for the temperatures of this study for oxygen concentrations less than approximately 2 at. percent. For certain Nb/V ratios Henry's law is obeyed for concentrations as high as 6.5 at. percent oxygen. First order entropy and enthalpy interaction coefficients have been determined to describe the effect on the oxygen activity of niobium additions to vanadium-rich alloys with dilute oxygen concentrations. Niobium causes relatively small decreases in the oxygen activity of V-rich alloys and increases the oxygen solubility limit. Vanadium additions to Nb-rich alloys also increases the oxygen solubility and causes substantial decreases in the dilute solution oxygen activities. The change in the thermodynamic properties when molecular oxygen dissolves in vanadium and niobium--vanadium alloys and the equilibrium oxygen pressure over the binary and ternary systems were also determined

Characterization of U(VI)-carbonato ternary complexes on hematite: EXAFS and electrophoretic mobility measurements

Science.gov (United States)

Bargar, John R.; Reitmeyer, Rebecca; Lenhart, John J.; Davis, James A.

2000-01-01

We have measured U(VI) adsorption on hematite using EXAFS spectroscopy and electrophoresis under conditions relevant to surface waters and aquifers (0.01 to 10 μM dissolved uranium concentrations, in equilibrium with air, pH 4.5 to 8.5). Both techniques suggest the existence of anionic U(VI)-carbonato ternary complexes. Fits to EXAFS spectra indicate that U(VI) is simultaneously coordinated to surface FeO6 octahedra and carbonate (or bicarbonate) ligands in bidentate fashions, leading to the conclusion that the ternary complexes have an inner-sphere metal bridging (hematite-U(VI)-carbonato) structure. Greater than or equal to 50% of adsorbed U(VI) was comprised of monomeric hematite-U(VI)-carbonato ternary complexes, even at pH 4.5. Multimeric U(VI) species were observed at pH ≥ 6.5 and aqueous U(VI) concentrations approximately an order of magnitude more dilute than the solubility of crystalline β-UO2(OH)2. Based on structural constraints, these complexes were interpreted as dimeric hematite-U(VI)-carbonato ternary complexes. These results suggest that Fe-oxide-U(VI)-carbonato complexes are likely to be important transport-limiting species in oxic aquifers throughout a wide range of pH values.

PLUTONIUM METALLIC FUELS FOR FAST REACTORS

Energy Technology Data Exchange (ETDEWEB)

STAN, MARIUS [Los Alamos National Laboratory; HECKER, SIEGFRIED S. [Los Alamos National Laboratory

2007-02-07

Early interest in metallic plutonium fuels for fast reactors led to much research on plutonium alloy systems including binary solid solutions with the addition of aluminum, gallium, or zirconium and low-melting eutectic alloys with iron and nickel or cobalt. There was also interest in ternaries of these elements with plutonium and cerium. The solid solution and eutectic alloys have most unusual properties, including negative thermal expansion in some solid-solution alloys and the highest viscosity known for liquid metals in the Pu-Fe system. Although metallic fuels have many potential advantages over ceramic fuels, the early attempts were unsuccessful because these fuels suffered from high swelling rates during burn up and high smearing densities. The liquid metal fuels experienced excessive corrosion. Subsequent work on higher-melting U-PuZr metallic fuels was much more promising. In light of the recent rebirth of interest in fast reactors, we review some of the key properties of the early fuels and discuss the challenges presented by the ternary alloys.

Alkaline earth metal doped tin oxide as a novel oxygen storage material

Energy Technology Data Exchange (ETDEWEB)

Dong, Qiang, E-mail: dong@tagen.tohoku.ac.jp [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan); Yin, Shu; Yoshida, Mizuki; Wu, Xiaoyong; Liu, Bin [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan); Miura, Akira; Takei, Takahiro; Kumada, Nobuhiro [Department of Research Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi, Miyamae cho-7, Kofu 400-8511 (Japan); Sato, Tsugio [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan)

2015-09-15

Alkaline earth metal doped tin oxide (SnO{sub 2}) hollow nanospheres with a diameter of 50 nm have been synthesized successfully via a facial solvothermal route in a very simple system composed of only ethanol, acetic acid, SnCl{sub 4}·5H{sub 2}O and A(NO{sub 3}){sub 2}·xH{sub 2}O (A = Mg, Ca, Sr, Ba). The synthesized undoped SnO{sub 2} and A-doped SnO{sub 2} hollow nanospheres were characterized by the oxygen storage capacity (OSC), X-ray diffraction, transmission electron microscopy and the Brunauer–Emmet–Teller (BET) technique. The OSC values of all samples were measured using thermogravimetric-differential thermal analysis. The incorporation of alkaline earth metal ion into tin oxide greatly enhanced the thermal stability and OSC. Especially, Ba-doped SnO{sub 2} hollow nanospheres calcined at 1000 °C for 20 h with a BET surface area of 61 m{sup 2} g{sup −1} exhibited the considerably high OSC of 457 μmol-O g{sup −1} and good thermal stability. Alkaline earth metal doped tin oxide has the potential to be a novel oxygen storage material.

Probability of ternary fission of 93Nb andnat Ag nuclei induced by 0.8-1.8 GeV photons

International Nuclear Information System (INIS)

Lima, D.A. de; Milomen, W.C.C.; Tavares, O.A.P.

1989-01-01

The yields of ternary fission of 93 Nb and nat Ag nuclei induced by bremsstrahlung photons of 0.8, 1.0, 1.4 and 1.8 GeV end-point energies have been measured by using the 2 Π-forward geometry with thick target metal foils in contact with makrofol polycarbonate sheets as fission-track detectors. Absolute mean cross sections per photon in the range 0.8-1.8 GeV have been obtained as 0.3 ± 0.3 μb and 0.5 ± μb, respectively, for 93 Nb and nat Ag nuclei. These correspond to a probability of ternary fission of approx. 10 -5 for both nuclei. Results are discussed and compared with previous ternary fission data obtained for nuclei of A [pt

Boron-Based Hydrogen Storage: Ternary Borides and Beyond

Energy Technology Data Exchange (ETDEWEB)

Vajo, John J. [HRL Laboratories, LLC, Malibu, CA (United States)

2016-04-28

DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ≥11 wt% and ≥80 g/L that can deliver hydrogen and be recharged at moderate temperatures (≤100 °C) and pressures (≤100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron-based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slow rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement.

Investigation of transient photoresponse of WSSe ternary alloy crystals

Science.gov (United States)

Chauhan, Payal; Solanki, G. K.; Tannarana, Mohit; Pataniya, Pratik; Patel, K. D.; Pathak, V. M.

2018-05-01

Transition metal chalcogenides have been studied intensively in recent time due to their tunability of electronic properties by compositional change, alloying and by transforming bulk material into crystalline 2D structure. These changes lead to the development of verities of next generation opto-electronic device applications such as solar cells, FETs and flexible detectors etc. In present work, we report growth and characterization of crystalline ternary alloy WSSe by direct vapour transport technique. A photodetector is constructed using grown crystals to study its transient photoresponse under polychromatic radiation. The WSSe crystals are mechanically exfoliated to thickness of 3 µm and the lateral dimension of prepared sample is 2.25 mm2. The time-resolved photoresponse is studied under polychromatic illumination of power density ranging from 10 to 40 mW/cm2. The photo response is also studied under different bias voltages ranging from 0.1 V to 0.5 V. The typical photodetector parameters i.e. photocurrent, rise and fall time, responsivity and sensitivity are evaluated and discussed in light of the ternary alloy composition.

Reaction phases and diffusion paths in SiC/metal systems

Energy Technology Data Exchange (ETDEWEB)

Naka, M.; Fukai, T. [Osaka Univ., Osaka (Japan); Schuster, J.C. [Vienna Univ., Vienna (Austria)

2004-07-01

The interface structures between SiC and metal are reviewed at SiC/metal systems. Metal groups are divided to carbide forming metals and non-carbide forming metals. Carbide forming metals form metal carbide granular or zone at metal side, and metal silicide zone at SiC side. The further diffusion of Si and C from SiC causes the formation of T ternary phase depending metal. Non-carbide forming metals form silicide zone containing graphite or the layered structure of metal silicide and metal silicide containing graphite. The diffusion path between SiC and metal are formed along tie-lines connecting SiC and metal on the corresponding ternary Si-C-M system. The reactivity of metals is dominated by the forming ability of carbide or silicide. Te reactivity tendency of elements are discussed on the periodical table of elements, and Ti among elements shows the highest reactivity among carbide forming metals. For non-carbide forming metals the reactivity sequence of metals is Fe>Ni>Co. (orig.)

A Universal Method to Engineer Metal Oxide-Metal-Carbon Interface for Highly Efficient Oxygen Reduction.

Science.gov (United States)

Lv, Lin; Zha, Dace; Ruan, Yunjun; Li, Zhishan; Ao, Xiang; Zheng, Jie; Jiang, Jianjun; Chen, Hao Ming; Chiang, Wei-Hung; Chen, Jun; Wang, Chundong

2018-03-27

Oxygen is the most abundant element in the Earth's crust. The oxygen reduction reaction (ORR) is also the most important reaction in life processes and energy converting/storage systems. Developing techniques toward high-efficiency ORR remains highly desired and a challenge. Here, we report a N-doped carbon (NC) encapsulated CeO 2 /Co interfacial hollow structure (CeO 2 -Co-NC) via a generalized strategy for largely increased oxygen species adsorption and improved ORR activities. First, the metallic Co nanoparticles not only provide high conductivity but also serve as electron donors to largely create oxygen vacancies in CeO 2 . Second, the outer carbon layer can effectively protect cobalt from oxidation and dissociation in alkaline media and as well imparts its higher ORR activity. In the meanwhile, the electronic interactions between CeO 2 and Co in the CeO 2 /Co interface are unveiled theoretically by density functional theory calculations to justify the increased oxygen absorption for ORR activity improvement. The reported CeO 2 -Co-NC hollow nanospheres not only exhibit decent ORR performance with a high onset potential (922 mV vs RHE), half-wave potential (797 mV vs RHE), and small Tafel slope (60 mV dec -1 ) comparable to those of the state-of-the-art Pt/C catalysts but also possess long-term stability with a negative shift of only 7 mV of the half-wave potential after 2000 cycles and strong tolerance against methanol. This work represents a solid step toward high-efficient oxygen reduction.

Hydrothermal synthesis of graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite for removal of Cu (II) and methylene blue

Science.gov (United States)

Long, Zhihang; Zhan, Yingqing; Li, Fei; Wan, Xinyi; He, Yi; Hou, Chunyan; Hu, Hai

2017-09-01

In this work, highly activated graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite adsorbent was prepared from a simple hydrothermal route by using ferrous sulfate as precursor. For this purpose, the graphene oxide/multiwalled carbon nanotube architectures were formed through the π-π attractions between them, followed by attaching Fe3O4 nanoparticles onto their surface. The structure and composition of as-prepared ternary nanocomposite were characterized by XRD, FTIR, XPS, SEM, TEM, Raman, TGA, and BET. It was found that the resultant porous graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite with large surface area could effectively prevent the π-π stacking interactions between graphene oxide nanosheets and greatly improve sorption sites on the surfaces. Thus, owing to the unique ternary nanocomposite architecture and synergistic effect among various components, as-prepared ternary nanocomposite exhibited high separation efficiency when they were used to remove the Cu (II) and methylene blue from aqueous solutions. Furthermore, the adsorption isotherms of ternary nanocomposite structures for Cu (II) and methylene blue removal fitted the Langmuir isotherm model. This work demonstrated that the graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite was promising as an efficient adsorbent for heavy metal ions and organic dye removal from wastewater in low concentration.

Design of a novel quantum reversible ternary up-counter

Science.gov (United States)

Houshmand, Pouran; Haghparast, Majid

2015-08-01

Reversible logic has been recently considered as an interesting and important issue in designing combinational and sequential circuits. The combination of reversible logic and multi-valued logic can improve power dissipation, time and space utilization rate of designed circuits. Only few works have been reported about sequential reversible circuits and almost there are no paper exhibited about quantum ternary reversible counter. In this paper, first we designed 2-qutrit and 3-qutrit quantum reversible ternary up-counters using quantum ternary reversible T-flip-flop and quantum reversible ternary gates. Then we proposed generalized quantum reversible ternary n-qutrit up-counter. We also introduced a new approach for designing any type of n-qutrit ternary and reversible counter. According to the results, we can conclude that applying second approach quantum reversible ternary up-counter is better than the others.

Regularity in the formation of compounds in ternary R-Me-Sn systems, R - REM, Me - Fe, Co, Ni, Cu

International Nuclear Information System (INIS)

Skolozdra, R.V.; Komarovskaya, L.P.; Koretskaya, O.Eh.

1992-01-01

For the ternary alloy systems of (La, Y, Gd, Lu)-Fe-Sn, (Ce, Y, Gd)-Co-Sn, (Ce, Y, Gd, Lu)-Ni-Sn and (Pr, Gd, Lu)-Cu-Sn isothermal sections of phase diagrams were plotted within the range of 670 to 870 K. It was revealed that substitution of transition metal in the kFe-Co-Ni-Cu series led to changes both in a number of ternary stannides and their structural types. A tendency was observed in change of stannide numbers depending on quantity ratio of R and Me components. Crystallochemical analysis of compounds obtained showed that they could be treated as interstitial structures or lsuperstructures with respect to them. The results of magnetic properties measurements were used for explanation of structural features of ternary compounds considered

Control and monitoring of oxygen content in molten metals. Application to lead and lead-bismuth melts

International Nuclear Information System (INIS)

Ghetta, V.; Fouletier, J.; Henault, M.; Le Moulec, A.

2002-01-01

The sources of error in potentiometric measurements of the oxygen activity in molten metals and the methods proposed to reduce these measurements errors are described. Specific constraints related to low temperature measurements are emphasized. Two set-ups for control of the oxygen activity in molten lead and lead-bismuth were developed. They involve zirconia-based cells, i.e., an oxygen pump and an oxygen probe. The performance of the set-ups was characterized attempts to reduce the working temperature (T<450 deg C) are discussed. (authors)

Oxygen fugacity control in piston-cylinder experiments: a re-evaluation

Science.gov (United States)

Jakobsson, Sigurdur; Blundy, Jon; Moore, Gordon

2014-06-01

Jakobsson (Contrib Miner Petrol 164(3):397-407, 2012) investigated a double capsule assembly for use in piston-cylinder experiments that would allow hydrous, high-temperature, and high-pressure experiments to be conducted under controlled oxygen fugacity conditions. Using a platinum outer capsule containing a metal oxide oxygen buffer (Ni-NiO or Co-CoO) and H2O, with an inner gold-palladium capsule containing hydrous melt, this study was able to compare the oxygen fugacity imposed by the outer capsule oxygen buffer with an oxygen fugacity estimated by the AuPdFe ternary system calibrated by Barr and Grove (Contrib Miner Petrol 160(5):631-643, 2010). H2O loss or gain, as well as iron loss to the capsule walls and carbon contamination, is often observed in piston-cylinder experiments and often go unexplained. Only a few have attempted to actually quantify various aspects of these changes (Brooker et al. in Am Miner 83(9-10):985-994, 1998; Truckenbrodt and Johannes in Am Miner 84:1333-1335, 1999). It was one of the goals of Jakobsson (Contrib Miner Petrol 164(3):397-407, 2012) to address these issues by using and testing the AuPdFe solution model of Barr and Grove (Contrib Miner Petrol 160(5):631-643, 2010), as well as to constrain the oxygen fugacity of the inner capsule. The oxygen fugacities of the analyzed melts were assumed to be equal to those of the solid Ni-NiO and Co-CoO buffers, which is incorrect since the melts are all undersaturated in H2O and the oxygen fugacities should therefore be lower than that of the buffer by 2 log.

Fluorometric determination of aluminium (III) and cadmium (II) by solvent extraction of the ternary complex composed of metal ion, 8-hydroxy-5-quinolinesulfonic acid, and methyltrioctylammonium ion

International Nuclear Information System (INIS)

Kondoh, Yukihiro; Kataoka, Masamitsu; Kambara, Tomihito

1982-01-01

A fluorometric micro determination of aluminium (III) and cadmium (II) using the formation of metal-8-hydroxy-5-quinolinesulfonic acid-capriquat (methyltrioctylammonium) ternary complex is described. These complexes are easily extracted into chloroform phase and the extract emits a strong fluorescence. Spectra of aluminium (III) and cadmium (II) ternary complexes have the excitation maximum at 396 nm and 400 nm, and emission maximum at 501 nm and 524 nm, respectively. Fluorescence intensity of the aluminium (III) and cadmium (II) ternary complexes extracted into chloroform showed the constant and maximum values in the pH range of aqueous phase from 5.3 to 8.5 and 8.1 to 8.5, respectively. The calibration curves for aluminium (III) and cadmium (II) show good proportionality int the concentration range from 0.5 to 5.0 and 1.0 to 50.0 μg, respectively. The relative standard deviation observed with four measurements was found to be 1.8% for 0.5 μg of aluminium (III) and 1.1% for 10.0 μg of cadmium (II). The effect of diverse ions is studied and a 25-fold amount of Cu(II), Ni(II), Fe(II), Fe(III) in weight gave errors, however, the interferences were easily eliminated by the addition of appropriate masking agent. In the determination of cadmium (II), an equal amount of Co(II), Ni(II), Mn(II), Fe(III) and twice amount of Al(III) gave negative errors, however, the interference of Fe(III) and Al(III) were also eliminated as above. (author)

First principle study of UHTC ternary diboride, Cr2AlB2

Science.gov (United States)

Rastogi, Anugya; Rajpoot, Priyanka; Verma, U. P.

2018-04-01

In this paper ab-initio study of the structural, electronic and optical properties of ternary metal boride Cr2AlB2 using full potential linear augmented plane wave (FP-LAPW) method based on the density functional theory (DFT). The study of structural properties shows that Cr2AlB2 is metallic in nature and have orthorhombic crystal structure. The optical properties show that it possess anisotropic behavior, which have wide applications in electricity production through concentration of solar power (CSP) technology. To the best of our knowledge, theoretical study of the optical properties of Cr2AlB2 is reported for the first time.

Design and assembly of ternary Pt/Re/SnO2 NPs by controlling the zeta potential of individual Pt, Re, and SnO2 NPs

Science.gov (United States)

Drzymała, Elżbieta; Gruzeł, Grzegorz; Pajor-Świerzy, Anna; Depciuch, Joanna; Socha, Robert; Kowal, Andrzej; Warszyński, Piotr; Parlinska-Wojtan, Magdalena

2018-05-01

In this study Pt, Re, and SnO2 nanoparticles (NPs) were combined in a controlled manner into binary and ternary combinations for a possible application for ethanol oxidation. For this purpose, zeta potentials as a function of the pH of the individual NPs solutions were measured. In order to successfully combine the NPs into Pt/SnO2 and Re/SnO2 NPs, the solutions were mixed together at a pH guaranteeing opposite zeta potentials of the metal and oxide NPs. The individually synthesized NPs and their binary/ternary combinations were characterized by Fourier transform infrared spectroscopy (FTIR) and scanning transmission electron microscopy (STEM) combined with energy dispersive X-ray spectroscopy (EDS) analysis. FTIR and XPS spectroscopy showed that the individually synthesized Pt and Re NPs are metallic and the Sn component was oxidized to SnO2. STEM showed that all NPs are well crystallized and the sizes of the Pt, Re, and SnO2 NPs were 2.2, 1.0, and 3.4 nm, respectively. Moreover, EDS analysis confirmed the successful formation of binary Pt/SnO2 and Re/SnO2 NP, as well as ternary Pt/Re/SnO2 NP combinations. This study shows that by controlling the zeta potential of individual metal and oxide NPs, it is possible to assemble them into binary and ternary combinations. [Figure not available: see fulltext.

Determination of the oxygen-metal-ratio of uranium-americium mixed oxides

International Nuclear Information System (INIS)

Bartscher, W.

1982-01-01

During the dissolution of uranium-americium mixed oxides in phosphoric acid under nitrogen tetravalent uranium is oxidized by tetravalent americium. The obtained hexavalent uranium is determined by constant potential coulometry. The coulombs measured are equivalent to the oxygen in excess of the minimum composition of UO 2 x AmO 1 . 5 . The total uranium content of the sample is determined in a subsequent coulometric titration. The oxygen-metal ratio of the sample can be calculated for a given uranium-americium ratio. An excess of uranium dioxide is necessary in order to suppress the oxidation of water by tetravalent americium. The standard deviation of the method is 0.0017 O/M units. (orig.) [de

Redox switching and oxygen evolution at oxidized metal and metal oxide electrodes: iron in base.

Science.gov (United States)

Lyons, Michael E G; Doyle, Richard L; Brandon, Michael P

2011-12-28

Outstanding issues regarding the film formation, redox switching characteristics and the oxygen evolution reaction (OER) electrocatalytic behaviour of multicycled iron oxyhydroxide films in aqueous alkaline solution have been revisited. The oxide is grown using a repetitive potential multicycling technique, and the mechanism of the latter hydrous oxide formation process has been discussed. A duplex layer model of the oxide/solution interphase region is proposed. The acid/base behaviour of the hydrous oxide and the microdispersed nature of the latter material has been emphasised. The hydrous oxide is considered as a porous assembly of interlinked octahedrally coordinated anionic metal oxyhydroxide surfaquo complexes which form an open network structure. The latter contains considerable quantities of water molecules which facilitate hydroxide ion discharge at the metal site during active oxygen evolution, and also charge compensating cations. The dynamics of redox switching has been quantified via analysis of the cyclic voltammetry response as a function of potential sweep rate using the Laviron-Aoki electron hopping diffusion model by analogy with redox polymer modified electrodes. Steady state Tafel plot analysis has been used to elucidate the kinetics and mechanism of oxygen evolution. Tafel slope values of ca. 60 mV dec(-1) and ca. 120 mV dec(-1) are found at low and high overpotentials respectively, whereas the reaction order with respect to hydroxide ion activity changes from ca. 3/2 to ca. 1 as the potential is increased. These observations are rationalised in terms of a kinetic scheme involving Temkin adsorption and the rate determining formation of a physisorbed hydrogen peroxide intermediate on the oxide surface. The dual Tafel slope behaviour is ascribed to the potential dependence of the surface coverage of adsorbed intermediates.

Using Dopants to Tune Oxygen Vacancy Formation in Transition Metal Oxide Resistive Memory.

Science.gov (United States)

Jiang, Hao; Stewart, Derek A

2017-05-17

Introducing dopants is an important way to tailor and improve electronic properties of transition metal oxides used as high-k dielectric thin films and resistance switching layers in leading memory technologies, such as dynamic and resistive random access memory (ReRAM). Ta 2 O 5 has recently received increasing interest because Ta 2 O 5 -based ReRAM demonstrates high switching speed, long endurance, and low operating voltage. However, advances in optimizing device characteristics with dopants have been hindered by limited and contradictory experiments in this field. We report on a systematic study on how various metal dopants affect oxygen vacancy formation in crystalline and amorphous Ta 2 O 5 from first principles. We find that isoelectronic dopants and weak n-type dopants have little impact on neutral vacancy formation energy and that p-type dopants can lower the formation energy significantly by introducing holes into the system. In contrast, n-type dopants have a deleterious effect and actually increase the formation energy for charged oxygen vacancies. Given the similar doping trend reported for other binary transition metal oxides, this doping trend should be universally valid for typical binary transition metal oxides. Based on this guideline, we propose that p-type dopants (Al, Hf, Zr, and Ti) can lower the forming/set voltage and improve retention properties of Ta 2 O 5 ReRAM.

Constitutional studies in the palladium-rhodium-tellurium (-oxygen) system. A contribution to elucidate the behaviour of Pd, Rh and Te in the vitrification process of high-level waste concentrates (HLWC)

International Nuclear Information System (INIS)

Hartmann, T.

1996-01-01

In the vitrification process of high-level waste concentrates (HLWC) from the reprocessing of nuclear spent fuel elements, about 30 different elements have to be immobilized in a solid matrix consisting of an alkali borosilicate glass. Most of the waste oxides are dissolved in the alkali borosilicate melt and become structural elements of the glasses when cooled. This, however, applies only partly to the platinum metals Ru, which forms RuO 2 , and palladium and rhodium, which deposit as sparingly soluble and electrically conducting tellurides. This might considerably impair the technical process of HLWC vitrification. Therefore, constitutional studies on the Pd-Rh-Te system became necessary. The phase diagram of the Pd-Rh-Te ternary system at temperatures of 1150, 1100, 1050, 1000, 950, 900 and 750 C was determined under inertial conditions. Oxygen exerts a major influence on the system. Already under limited availability of oxygen, the rhodium contents of the solid solution phases α 1 and α 2 are clearly diminished. Rhodium of the phases becomes oxidized selectively. The three-phase field α 1 +α 2 +L is shifted to higher palladium and tellurium contents, even oxygen is available to a limited extend only. With the oxygen in the air, the extension of the three-phase space is reduced markedly. The complex process chemistry of Pf, Rh and Te during the vitrification can be described by the state of the Pd-Rh-Te ternary system after annealing in (air) oxygen for limited periods of time. (orig./MM) [de

Modelling equilibrium adsorption of single, binary, and ternary combinations of Cu, Pb, and Zn onto granular activated carbon.

Science.gov (United States)

Loganathan, Paripurnanda; Shim, Wang Geun; Sounthararajah, Danious Pratheep; Kalaruban, Mahatheva; Nur, Tanjina; Vigneswaran, Saravanamuthu

2018-03-30

Elevated concentrations of heavy metals in water can be toxic to humans, animals, and aquatic organisms. A study was conducted on the removal of Cu, Pb, and Zn by a commonly used water treatment adsorbent, granular activated carbon (GAC), from three single, three binary (Cu-Pb, Cu-Zn, Pb-Zn), and one ternary (Cu-Pb-Zn) combination of metals. It also investigated seven mathematical models on their suitability to predict the metals adsorption capacities. Adsorption of Cu, Pb, and Zn increased with pH with an abrupt increase in adsorption at around pH 5.5, 4.5, and 6.0, respectively. At all pHs tested (2.5-7.0), the adsorption capacity followed the order Pb > Cu > Zn. The Langmuir and Sips models fitted better than the Freundlich model to the data in the single-metal system at pH 5. The Langmuir maximum adsorption capacities of Pb, Cu, and Zn (mmol/g) obtained from the model's fits were 0.142, 0.094, and 0.058, respectively. The adsorption capacities (mmol/g) for these metals at 0.01 mmol/L equilibrium liquid concentration were 0.130, 0.085, and 0.040, respectively. Ideal Adsorbed Solution (IAS)-Langmuir and IAS-Sips models fitted well to the binary and ternary metals adsorption data, whereas the Extended Langmuir and Extended Sips models' fits to the data were poor. The selectivity of adsorption followed the same order as the metals' capacities and affinities of adsorption in the single-metal systems.

Photon Doppler Velocimeter to Measure Entrained Additive Manufactured Bulk Metal Powders in Hot Subsonic and Supersonic Oxygen Gas

Science.gov (United States)

Tylka, Jonathan

2016-01-01

Parts produced by additive manufacturing, particularly selective laser melting (SLM), have been shown to silt metal particulate even after undergoing stringent precision aerospace cleaning processes (Lowrey 2016). As printed parts are used in oxygen systems with increased pressures, temperatures, and gas velocity, the risk of ignition by particle impact, the most common direct ignition source of metals in oxygen, substantially increases. The White Sands Test Facility (WSTF), in collaboration with Marshall Space Flight Center (MSFC), desires to test the ignitability of SLM metals by particle impact in heated oxygen. The existing test systems rely on gas velocity calculations to infer particle velocity in both subsonic and supersonic particle impact systems. Until now, it was not possible to directly measure particle velocity. To increase the fidelity of planned SLM ignition studies, it is necessary to validate that the Photon Doppler Velocimetry(PDV) test system can accurately measure particle velocity.

Sc-W-Si and Sc-W-Ge ternary systems

International Nuclear Information System (INIS)

Kotur, B.Ya.; Voznyak, O.M.; Bodak, O.I.

1989-01-01

Phase equilibria in Sc-W-Si and Sc-W-Ge ternary systems are investigated at 1070 K. Sc 2+x W 3-x Si 4 ternary compound (0≤x≤1) is determined, its crystal structure (Ce 2 Sc 3 Si 4 structural type), as well as, change of elementary cell parameters and microhardness within homogeneity range are determined. Regularities of component interaction within Sc-M-Si(Ge) (M-Cr, Mo, W) ternary system are determined. Ternary systems with Mo and W are more closer to each other according to the phase equilibria character, than to ternary systems with Cr

Performance Estimation for Lowpass Ternary Filters

Directory of Open Access Journals (Sweden)

Brenton Steele

2003-11-01

Full Text Available Ternary filters have tap values limited to −1, 0, or +1. This restriction in tap values greatly simplifies the multipliers required by the filter, making ternary filters very well suited to hardware implementations. Because they incorporate coarse quantisation, their performance is typically limited by tap quantisation error. This paper derives formulae for estimating the achievable performance of lowpass ternary filters, thereby allowing the number of computationally intensive design iterations to be reduced. Motivated by practical communications systems requirements, the performance measure which is used is the worst-case stopband attenuation.

Design of ternary clocked adiabatic static random access memory

International Nuclear Information System (INIS)

Wang Pengjun; Mei Fengna

2011-01-01

Based on multi-valued logic, adiabatic circuits and the structure of ternary static random access memory (SRAM), a design scheme of a novel ternary clocked adiabatic SRAM is presented. The scheme adopts bootstrapped NMOS transistors, and an address decoder, a storage cell and a sense amplifier are charged and discharged in the adiabatic way, so the charges stored in the large switch capacitance of word lines, bit lines and the address decoder can be effectively restored to achieve energy recovery during reading and writing of ternary signals. The PSPICE simulation results indicate that the ternary clocked adiabatic SRAM has a correct logic function and low power consumption. Compared with ternary conventional SRAM, the average power consumption of the ternary adiabatic SRAM saves up to 68% in the same conditions. (semiconductor integrated circuits)

Design of ternary clocked adiabatic static random access memory

Science.gov (United States)

Pengjun, Wang; Fengna, Mei

2011-10-01

Based on multi-valued logic, adiabatic circuits and the structure of ternary static random access memory (SRAM), a design scheme of a novel ternary clocked adiabatic SRAM is presented. The scheme adopts bootstrapped NMOS transistors, and an address decoder, a storage cell and a sense amplifier are charged and discharged in the adiabatic way, so the charges stored in the large switch capacitance of word lines, bit lines and the address decoder can be effectively restored to achieve energy recovery during reading and writing of ternary signals. The PSPICE simulation results indicate that the ternary clocked adiabatic SRAM has a correct logic function and low power consumption. Compared with ternary conventional SRAM, the average power consumption of the ternary adiabatic SRAM saves up to 68% in the same conditions.

Phase diagram of the ternary Zr-Ti-Sn system

International Nuclear Information System (INIS)

Arias, D.; Gonzalez Camus, M.

1987-01-01

It is well known that Ti stabilizes the high temperature cubic phase of Zr and that Sn stabilizes the low temperature hexagonal phase of Zr. The effect of Sn on the Zr-Ti diagram has been studied in the present paper. Using high purity metals, nine different alloys have been prepared, with 4-32 at % Ti, 0.7-2.2 at % Sn and Zr till 100%. Resistivity and optical and SEM metallography techniques have been employed. Effect of some impurities have been analyzed. The results are discussed and different isothermic sections of the ternary Zr-Ti-Sn diagram are presented. (Author) [es

A CENSUS OF OXYGEN IN STAR-FORMING GALAXIES: AN EMPIRICAL MODEL LINKING METALLICITIES, STAR FORMATION RATES, AND OUTFLOWS

International Nuclear Information System (INIS)

Zahid, H. J.; Dima, G. I.; Kewley, L. J.; Erb, D. K.; Davé, R.

2012-01-01

In this contribution, we present the first census of oxygen in star-forming galaxies in the local universe. We examine three samples of galaxies with metallicities and star formation rates (SFRs) at z = 0.07, 0.8, and 2.26, including the Sloan Digital Sky Survey (SDSS) and DEEP2 survey. We infer the total mass of oxygen produced and mass of oxygen found in the gas-phase from our local SDSS sample. The star formation history is determined by requiring that galaxies evolve along the relation between stellar mass and SFR observed in our three samples. We show that the observed relation between stellar mass and SFR for our three samples is consistent with other samples in the literature. The mass-metallicity relation is well established for our three samples, and from this we empirically determine the chemical evolution of star-forming galaxies. Thus, we are able to simultaneously constrain the SFRs and metallicities of galaxies over cosmic time, allowing us to estimate the mass of oxygen locked up in stars. Combining this work with independent measurements reported in the literature, we conclude that the loss of oxygen from the interstellar medium of local star-forming galaxies is likely to be a ubiquitous process with the oxygen mass loss scaling (almost) linearly with stellar mass. We estimate the total baryonic mass loss and argue that only a small fraction of the baryons inferred from cosmological observations accrete onto galaxies.

Growth and characterization of III-N ternary thin films by plasma assisted atomic layer epitaxy at low temperatures

Energy Technology Data Exchange (ETDEWEB)

Nepal, Neeraj; Anderson, Virginia R.; Hite, Jennifer K.; Eddy, Charles R.

2015-08-31

We report the growth and characterization of III-nitride ternary thin films (Al{sub x}Ga{sub 1−x}N, In{sub x}Al{sub 1−x}N and In{sub x}Ga{sub 1−x}N) at ≤ 500 °C by plasma assisted atomic layer epitaxy (PA-ALE) over a wide stoichiometric range including the range where phase separation has been an issue for films grown by molecular beam epitaxy and metal organic chemical vapor deposition. The composition of these ternaries was intentionally varied through alterations in the cycle ratios of the III-nitride binary layers (AlN, GaN, and InN). By this digital alloy growth method, we are able to grow III-nitride ternaries by PA-ALE over nearly the entire stoichiometry range including in the spinodal decomposition region (x = 15–85%). These early efforts suggest great promise of PA-ALE at low temperatures for addressing miscibility gap challenges encountered with conventional growth methods and realizing high performance optoelectronic and electronic devices involving ternary/binary heterojunctions, which are not currently possible. - Highlights: • III-N ternaries grown at ≤ 500 °C by plasma assisted atomic layer epitaxy • Growth of InGaN and AlInN in the spinodal decomposition region (15–85%) • Epitaxial, smooth and uniform III-N film growth at low temperatures.

Growth and characterization of III-N ternary thin films by plasma assisted atomic layer epitaxy at low temperatures

International Nuclear Information System (INIS)

Nepal, Neeraj; Anderson, Virginia R.; Hite, Jennifer K.; Eddy, Charles R.

2015-01-01

We report the growth and characterization of III-nitride ternary thin films (Al x Ga 1−x N, In x Al 1−x N and In x Ga 1−x N) at ≤ 500 °C by plasma assisted atomic layer epitaxy (PA-ALE) over a wide stoichiometric range including the range where phase separation has been an issue for films grown by molecular beam epitaxy and metal organic chemical vapor deposition. The composition of these ternaries was intentionally varied through alterations in the cycle ratios of the III-nitride binary layers (AlN, GaN, and InN). By this digital alloy growth method, we are able to grow III-nitride ternaries by PA-ALE over nearly the entire stoichiometry range including in the spinodal decomposition region (x = 15–85%). These early efforts suggest great promise of PA-ALE at low temperatures for addressing miscibility gap challenges encountered with conventional growth methods and realizing high performance optoelectronic and electronic devices involving ternary/binary heterojunctions, which are not currently possible. - Highlights: • III-N ternaries grown at ≤ 500 °C by plasma assisted atomic layer epitaxy • Growth of InGaN and AlInN in the spinodal decomposition region (15–85%) • Epitaxial, smooth and uniform III-N film growth at low temperatures

Experimental investigation of the ternary system Ni–Pd–Sn with special focus on the B8-type phase

International Nuclear Information System (INIS)

Jandl, Isabella; Ipser, Herbert; Richter, Klaus W.

2015-01-01

The ternary alloy system Ni–Pd–Sn was investigated experimentally from 700 °C upwards, with special focus on the general NiAs-type compounds. The phase diagram and crystallographic parameters were studied by means of powder X-ray diffraction (XRD), differential thermal analysis (DTA), light optical microscopy (LOM) and scanning electron microscopy (SEM) in combination with energy dispersive X-ray spectroscopy (EDX). An isothermal section at 700 °C was constructed wherein a continuous phase field between the binary NiAs-type compounds γ (PdSn) and Ni 3 Sn 2 (high temperature modification) was detected. A series of samples throughout this phase field was used to investigate lattice parameter variations, occupation of the atomic sites and the melting behaviour. A partial ordering of the transition metals was observed. Moreover, three vertical sections at 30 at.%, 40 at.% and 50 at.% Sn were determined. Altogether, seven ternary invariant phase reactions were discovered: two ternary eutectic reactions, one ternary eutectoid reaction, three ternary transition reactions and one maximum. A complete reaction scheme for the investigated temperature range is given. Furthermore, a partial liquidus surface projection, except for the low-temperature Sn-rich region, was developed. - Highlights: • Detailed study of the ternary alloy system Ni–Pd–Sn. • 1 Isotherm, 3 vertical sections, a partial liquidus projection and a reaction scheme. • A continuous phase field, between γ and Ni 3 Sn 2 , was discovered. • Lattice parameters and structural features in this phase field were analysed. • A partial order of Ni and Pd in this phase field was observed

Amorphous metallic alloys for oxygen reduction reaction in a polymer electrolyte membrane fuel cell

Energy Technology Data Exchange (ETDEWEB)

Gonzalez-Huerta, R.; Guerra-Martinez, I.; Lopez, J.S. [Inst. Politecnico Nacional, ESIQIE, Mexico City (Mexico). Lab. de Electroquimica; Pierna, A.R. [Basque Country Univ., San Sebastian (Spain). Dept. of Chemical Engineering and Environment; Solorza-Feria, O. [Inst. Politenico Nacional, Centro de Investigacion y de Estudios Avanzados, Mexico City (Mexico). Dept. de Quimica

2010-07-15

Direct methanol fuel cells (DMFC) and polymer electrolyte membrane fuel cells (PEMFC) represent an important, environmentally clean energy source. This has motivated extensive research on the synthesis, characterization and evaluation of novel and stable oxygen reduction electrocatalysts for the direct four-electron transfer process to water formation. Studies have shown that amorphous alloyed compounds can be used as electrode materials in electrochemical energy conversion devices. Their use in PEMFCs can optimize the electrocatalyst loading in the membrane electrode assembly (MEA). In this study, amorphous metallic PtSn, PtRu and PtRuSn alloys were synthesized by mechanical milling and used as cathodes for the oxygen reduction reaction (ORR) in sulphuric acid and in a single PEM fuel cell. Two different powder morphologies were observed before and after the chemical activation in a hydrofluoric acid (HF) solution at 25 degrees C. The kinetics of the ORR on the amorphous catalysts were investigated. The study showed that the amorphous metallic PtSn electrocatalyst was the most active of the 3 electrodes for the cathodic reaction. Fuel cell experiments were conducted at various temperatures at 30 psi for hydrogen (H{sub 2}) and at 34 psi for oxygen (O{sub 2}). MEAs made of Nafion 115 and amorphous metallic PtSn dispersed on carbon powder in a PEMFC had a power density of 156 mW per cm{sup 2} at 0.43V and 80 degrees C. 12 refs., 1 tab., 5 figs.

Study of the Na-C-O and Na-H-O ternary systems in the sodium rich corner

International Nuclear Information System (INIS)

Maupre, J.-P.

1978-02-01

The purpose of this study is to provide a contribution to the understanding of the sodium - carbon - oxygen and sodium - hydrogen - oxygen ternary systems in the sodium rich corner. In order to do this the Na-NaH-Na 2 O-NaOH phase diagram was completed and the Na-Na 2 O-Na 2 CO 3 -C phase diagram was outlined. This work is made up of two parts. The first is devoted to a critical literature survey essential to establish correct phase diagrams. The second is an experimental study followed by a discussion collating our finding to the literary data. The basic experimental technique used is differential thermal analysis (DTA) but it has been completed by quenching, X-ray and chemical analysis methods. The proposed phase diagrams imply that Na-NaH-Na 2 O-NaOH and Na-Na 2 O-Na 2 CO 3 -C systems are reciprocal ternary systems. Temperatures of stable pairs reversal are respectively 410 and 690 0 C. The stable pairs are Na-NaOH and Na-Na 2 CO 3 at elevated temperature, Na 2 O-NaH and Na 2 O-C at low temperature [fr

All-optical symmetric ternary logic gate

Science.gov (United States)

Chattopadhyay, Tanay

2010-09-01

Symmetric ternary number (radix=3) has three logical states (1¯, 0, 1). It is very much useful in carry free arithmetical operation. Beside this, the logical operation using this type of number system is also effective in high speed computation and communication in multi-valued logic. In this literature all-optical circuits for three basic symmetrical ternary logical operations (inversion, MIN and MAX) are proposed and described. Numerical simulation verifies the theoretical model. In this present scheme the different ternary logical states are represented by different polarized state of light. Terahertz optical asymmetric demultiplexer (TOAD) based interferometric switch has been used categorically in this manuscript.

Thermodynamic modeling of the Ti-Al-Cr ternary system

International Nuclear Information System (INIS)

Chen Leyi; Qiu Aitao; Liu Lanjie; Jiang Ming; Lu Xionggang; Li Chonghe

2011-01-01

Research highlights: → The full experimental results of the Ti-Al-Cr ternary system and its sub-binary systems are reviewed and analysed in detail. → Based on the latest thermodynamic assessments of the Ti-Al, Ti-Cr and Al-Cr systems and the ternary experimental data in literature, the thermodynamic parameters of the Ti-Al-Cr ternary system are fully assessed by the Calphad method. → The transformation of disorder to order (bcc a 2 to B2) and the new ternary compound L 12T i 25 Cr 8 Al 67 are considered in this work. - Abstract: The Ti-Al-Cr ternary system is one of the most important systems to studying the titanium alloys. Some experimental data of this ternary system are available and a few partial thermodynamic assessments are reported. However, no full thermodynamic descriptions were published. In this study, the previous work on the Ti-Al-Cr system and its related binary systems are reviewed. Based on the thermodynamic descriptions of the Ti-Al, Ti-Cr and Al-Cr systems and the ternary experimental data in literature, the Ti-Al-Cr ternary system is assessed by means of the Calphad method. Several isothermal sections from 1073 K to 1573 K and some invariant reactions are calculated, which are in good agreement with the most of the experimental results.

Capillary-oxygenation-level-dependent near-infrared spectrometry in frontal lobe of humans

NARCIS (Netherlands)

Rasmussen, Peter; Dawson, Ellen A.; Nybo, Lars; van Lieshout, Johannes J.; Secher, Niels H.; Gjedde, Albert

2007-01-01

Brain function requires oxygen and maintenance of brain capillary oxygenation is important. We evaluated how faithfully frontal lobe near-infrared spectroscopy (NIRS) follows haemoglobin saturation (SCap) and how calculated mitochondrial oxygen tension (PMitoO2) influences motor performance. Twelve

The role of metals in production and scavenging of reactive oxygen species in photosystem II.

Science.gov (United States)

Pospíšil, Pavel

2014-07-01

Metal ions play a crucial role in enzymatic reactions in all photosynthetic organisms such as cyanobacteria, algae and plants. It well known that metal ions maintain the binding of substrate in the active site of the metalloenzymes and control the redox activity of the metalloenzyme in the enzymatic reaction. A large pigment-protein complex, PSII, known to serve as a water-plastoquinone oxidoreductase, contains three metal centers comprising non-heme iron, heme iron of Cyt b559 and the water-splitting manganese complex. Metal ions bound to PSII proteins maintain the electron transport from water to plastoquinone and regulate the pro-oxidant and antioxidant activity in PSII. In this review, attention is focused on the role of PSII metal centers in (i) the formation of superoxide anion and hydroxyl radicals by sequential one-electron reduction of molecular oxygen and the formation of hydrogen peroxide by incomplete two-electron oxidation of water; and (ii) the elimination of superoxide anion radical by one-electron oxidation and reduction (superoxide dismutase activity) and of hydrogen peroxide by two-electron oxidation and reduction (catalase activity). The balance between the formation and elimination of reactive oxygen species by PSII metal centers is discussed as an important aspect in the prevention of photo-oxidative damage of PSII proteins and lipids. © The Author 2014. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Oxygen sensors for Heavy Liquid Metal coolants: Calibration and assessment of the minimum reading temperature

Energy Technology Data Exchange (ETDEWEB)

Bassini, S., E-mail: serena.bassini@enea.it; Antonelli, A.; Di Piazza, I.; Tarantino, M.

2017-04-01

Oxygen sensors for Heavy Liquid Metals (HLMs) such as lead and LBE (lead-bismuth eutectic) will be essential devices in future Lead Fast Reactor (LFR) and Accelerator Driven System (ADS). Potentiometric sensors based on solid electrolytes were developed in recent years to this purpose. Internal reference electrodes such as Pt-air and Bi/Bi{sub 2}O{sub 3} liquid metal/metal-oxide are among the most used but they both have a weak point: Pt-air sensor has a high minimum reading temperature around 400 °C whereas Bi/Bi{sub 2}O{sub 3} suffers from internal stresses induced by Bi volume variations with temperature, which may lead to the sensor failure in the long-term. The present work describes the performance of standard Pt-air and Bi/Bi{sub 2}O{sub 3} sensors and compares them with recent Cu/Cu{sub 2}O sensor. Sensors with Yttria Partially Stabilized Zirconia (YPSZ) electrolyte were calibrated in oxygen-saturated HLM between 160 and 550 °C and the electric potential compared to the theoretical one to define the accuracy and the minimum reading temperature. Standard Pt-air sensor were also tested using Yttria Totally Stabilized Zirconia (YTSZ) to assess the effect of a different electrolyte on the minimum reading temperature. The performance of Pt-air and Cu/Cu{sub 2}O sensors with YPSZ electrolyte were then tested together in low-oxygen HLM between 200 and 450 °C. The results showed that Pt-air, Bi/Bi{sub 2}O{sub 3} and Cu/Cu{sub 2}O sensors with YPSZ measured oxygen in HLMs down to 400 °C, 290 °C and 200 °C respectively. When the YTSZ electrolyte was used in place of the YPSZ, the Pt-air sensor measured correctly down to at least 350 °C thanks to the superior ionic conductivity of the YTSZ. When Cu/Cu{sub 2}O and Pt-air sensors were tested together in the same low-oxygen HLM between 200 and 450 °C, Cu/Cu{sub 2}O sensor worked predictably in the whole temperature range whereas Pt-air sensor exhibited a correct output only above 400 °C. - Highlights: •Oxygen

Ternary alloy systems. Phase diagrams, crystallographic and thermodynamic data critically evaluated by MSIT registered. Subvol. C. Non-ferrous metal systems. Pt. 4: Selected nuclear materials and engineering systems

International Nuclear Information System (INIS)

Effenberg, Guenter; Ilyenko, Svitlana; Aldinger, Fritz; Bochvar, Nataliya; Cacciamani, Gabriele

2007-01-01

The present volume in the New Series of Landolt-Boernstein provides critically evaluated data on phase diagrams, crystallographic and thermodynamic data of ternary alloy systems. Reliable phase diagrams provide materials scientists and engineers with basic information important for fundamental research, development and optimization of materials. The often conflicting literature data have been critically evaluated by Materials Science International Team, MSIT registered , a team working together since many years, and with expertise in a broad range of methods, materials and applications. All evaluation reports published here have undergone a thorough review process in which the reviewers had access to all the original data. The data for each ternary system are provided in a standard format which includes text, tables and diagrams. The topics presented are literature data, binary systems, solid phases, pseudobinary systems, invariant equilibria, liquidus, solidus, and solvus surfaces, isothermal sections, temperature-composition sections, thermodynamics, materials properties and applications, and miscellanea. Finally, a detailed bibliography of all cited references is provided. In the present volume IV/11C selected non-ferrous-metal systems are considered, especially selected nuclear materials and engineering systems in this Part 4. (orig.)

Metal-phthalocyanine functionalized carbon nanotubes as catalyst for the oxygen reduction reaction: A theoretical study

Science.gov (United States)

Orellana, Walter

2012-07-01

The covalent functionalization of metallic single-walled carbon nanotubes (CNTs) with transition metal phthalocyanines (MPc, with M = Mn, Fe and Co) are addressed by density functional calculations. The CNT-MPc catalytic activity toward the oxygen reduction reaction (ORR) is investigated through the O2 stretching frequency adsorbed on the phthalocyanine metal center. We find better reduction abilities when the CNT functionalization occurs through sp2-like bonds. Multiple stable-spin states for the M-O2 adduct are also found for M = Mn and Fe, suggesting higher ORR rates. The CNT-MPc complexes show metallic characteristics, suggesting favorable conditions to work as ORR cathode catalysts in fuel cells.

Investigation of the Alkaline Electrochemical Interface and Development of Composite Metal/Metal-Oxides for Hydrogen and Oxygen Electrodes

Science.gov (United States)

Bates, Michael

electrolyte. The HER kinetics of numerous binary & ternary Ni-alloys and composite Ni/metal-oxide/C samples were evaluated in aqueous 0.1 M KOH electrolyte. Furthermore a model of the double layer interface is proposed, which helps explain the observed ensemble effect in the presence of AEI. In Chapter 3, Ni-Fe and Ni-Fe-Co mixed-metal-oxide (MMO) films were investigated for oxygen evolution reaction (OER) activity in 0.1M KOH on high surface area Raney-Nickel supports. During investigations of MMO activity, aniline was identified as a useful "capping agent" for synthesis of high-surface area MMO-polyaniline (PANI) composite materials. A Ni-Fe-Co/PANI-Raney-Ni catalyst was developed which exhibits enhanced mass-activity compared to state-of-the-art Ni-Fe OER electrocatalysts reported to date. The morphology of the MMO catalyst film on PANI/Raney-Ni support provides excellent dispersion of active-sites and should maintain high active-site utilization for catalyst loading on gas-diffusion electrodes. In Chapter 4, the de-activation of reversible-hydrogen electrode catalysts was investigated and the development of a Pt-Ir-Nx/C catalyst is reported, which exhibits significantly increased stability in the HBr/Br 2 electrolyte. In contrast a Pt-Ir/C catalyst exhibited increased tolerance to high-voltage cycling and in particular showed recovery of electrocatalytic activity after reversible de-activation (presumably from bromide adsorption and subsequent oxidative bromide stripping). Under the harshest testing conditions of high-voltage cycling or exposure to Br2 the Pt-based catalyst showed a trend in stability: Pt < Pt-Ir < Pt-Ir-Nx. (Abstract shortened by UMI.).

Isolated Pt Atoms Stabilized by Amorphous Tungstenic Acid for Metal-Support Synergistic Oxygen Activation.

Science.gov (United States)

Zhang, Qian; Qin, Xixi; Duanmu, Fanpeng; Ji, Huiming; Shen, Zhurui; Han, Xiaopeng; Hu, Wenbin

2018-06-05

Oxygen activation plays a crucial role in many important chemical reactions such as organics oxidation and oxygen reduction. For developing highly active materials for oxygen activation, herein, we report an atomically dispersed Pt on WO3 nanoplates stabilized by in-situ formed amorphous H2WO4 out-layer and the mechanism for activating molecular oxygen. Experimental and theoretical studies demonstrate that the isolated Pt atoms coordinated with oxygen atoms from [WO6] and water of H2WO4, consequently leading to optimized surface electronic configuration and strong metal support interaction (SMSI). In exemplified reactions of butanone oxidation sensing and oxygen reduction, the atomic Pt/WO3 hybrid exhibits superior activity than those of Pt nanoclusters/WO3 and bare WO3 as well as enhanced long-term durability. This work will provide insight on the origin of activity and stability for atomically dispersed materials, thus promoting the development of highly efficient and durable single atom-based catalysts. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Experimental investigation of the Ag–Bi–I ternary system and thermodynamic properties of the ternary phases

International Nuclear Information System (INIS)

Mashadieva, Leyla F.; Aliev, Ziya S.; Shevelkov, Andrei V.; Babanly, Mahammad B.

2013-01-01

Highlights: ► The self-consistent phase diagram of the Ag–Bi–I system is constructed. ► Ag 2 BiI 5 and AgBi 2 I 7 are the only ternary phases of the system. ► Standard thermodynamic functions of formation and the standard entropies of Ag 2 BiI 5 and AgBi 2 I 7 are calculated. - Abstract: The phase equilibriums in the Ag–Bi–I ternary system and thermodynamic properties of the ternary phases were experimentally determined by using DTA and XRD techniques and EMF measurements with the Ag 4 RbI 5 solid electrolyte. According to the obtained experimental results, the polythermal sections of the ternary phase diagram, its isothermal section at 300 K as well as the projection of the liquids surface have been revised. The fields of the primary crystallization and types and coordinates of nonvariant and monovariant equilibriums were determined. The partial molar functions of silver iodide and silver in the alloys as well as the standard thermodynamic functions of formation and the standard entropies of Ag 2 BiI 5 and AgBi 2 I 7 were calculated based on EMF measurements.

True ternary fission of 252Cf

International Nuclear Information System (INIS)

Vijayaraghavan, K.R.; Balasubramaniam, M.; Oertzen, W. von

2014-01-01

Splitting of heavy radioactive nucleus into three fragments is known as ternary fission. If the size of the fragments are almost equal it is referred to as true ternary fission. Recently, Yu. V. Pyatkov et al observed/reported the experimental observation of true ternary fission in 252 Cf. In this work, the possibilities of different true ternary fission modes of 252 Cf through potential energy surface (PES) calculations based on three cluster model (TCM) are discussed. In TCM a condition on the mass numbers of the fission fragments is implied as A 1 ≥ A 2 ≥ A 3 in order to avoid repetition of combinations. Due to this condition, the values of Z 3 vary from 0 to 36 and Z 2 vary from 16 to 51. Of the different pairs having similar (Z 2 , Z 3 ) with different potential energy, a pair possessing minimum potential energy is chosen. Thus identified favourable combinations are plotted. For the PES calculations the arrangement of the fragments is considered in the order of A 1 +A 2 +A 3 . i.e. the heavy and the lightest fragments are kept at the ends. It is seen that the deepest minimum in the PES occurs for Z 3 =2 labelled as (Z 2 ; 2) indicating He accompanied breakup as the most favourable one. Of which, the breakup with Z 2 around 46 to 48 is the least (shown by dashed (Z 1 = 50) and dotted (Z 1 = 52) lines indicating a constant Z 1 value). The other notable minima in the PES are labelled and they correspond to the (Z 2 , Z 3 ) pairs viz., (20, 20), (28, 20), (28, 28) and (32, 32). Of these four minima, the first three are associated with the magic numbers 20 and 28. For Z 3 =20, there are two minimums at (20,20) and (28,20) among them (28,20) is the lowest minimum through which the minimum-path passes, and it is the ternary decay observed by Yu. V. Pyatkov et al. The fourth minima is the most interesting due to the fact that it corresponds to true ternary fission mode with Z 2 =32, Z 3 =32 and Z 1 =34. The minimum potential energy path also goes through this true

Equilibrium phase diagram of the Ag-Au-Pb ternary system

International Nuclear Information System (INIS)

Hassam, S.; Bahari, Z.

2005-01-01

The phase diagram of the ternary system Ag-Au-Pb has been established using differential thermal analysis and X-ray powder diffraction analysis. Four vertical sections were studied: X Pb = 0.40, X Au /X Pb = 1/3, X Ag /X Au = 4/1 and X Ag /X Au = 1/1. Two ternary transitory peritectics and one ternary eutectic were characterized. A schematic representation of the ternary equilibria is given

Ternary networks reliability and Monte Carlo

CERN Document Server

Gertsbakh, Ilya; Vaisman, Radislav

2014-01-01

Ternary means “based on three”. This book deals with reliability investigations of  networks whose components subject to failures can be in three states –up, down and middle (mid), contrary to traditionally considered networks  having only binary (up/down) components. Extending binary case to ternary allows to consider more realistic and flexible models for communication, flow and supply networks.

Ternary fission induced by polarized neutrons

Directory of Open Access Journals (Sweden)

Gönnenwein Friedrich

2013-12-01

Full Text Available Ternary fission of (e,e U- and Pu- isotopes induced by cold polarized neutrons discloses some new facets of the process. In the so-called ROT effect shifts in the angular distributions of ternary particles relative to the fission fragments show up. In the so-called TRI effect an asymmetry in the emission of ternary particles relative to a plane formed by the fragment momentum and the spin of the neutron appear. The two effects are shown to be linked to the components of angular momentum perpendicular and parallel to the fission axis at the saddle point of fission. Based on theoretical models the spectroscopic properties of the collective transitional states at the saddle point are inferred from experiment.

Phase equilibria in the Mo-Fe-P system at 800 °C and structure of ternary phosphide (Mo(1-x)Fe(x))3P (0.10 ≤ x ≤ 0.15).

Science.gov (United States)

Oliynyk, Anton O; Lomnytska, Yaroslava F; Dzevenko, Mariya V; Stoyko, Stanislav S; Mar, Arthur

2013-01-18

Construction of the isothermal section in the metal-rich portion (ternary phases: (Mo(1-x)Fe(x))(2)P (x = 0.30-0.82) and (Mo(1-x)Fe(x))(3)P (x = 0.10-0.15). The occurrence of a Co(2)Si-type ternary phase (Mo(1-x)Fe(x))(2)P, which straddles the equiatomic composition MoFeP, is common to other ternary transition-metal phosphide systems. However, the ternary phase (Mo(1-x)Fe(x))(3)P is unusual because it is distinct from the binary phase Mo(3)P, notwithstanding their similar compositions and structures. The relationship has been clarified through single-crystal X-ray diffraction studies on Mo(3)P (α-V(3)S-type, space group I42m, a = 9.7925(11) Å, c = 4.8246(6) Å) and (Mo(0.85)Fe(0.15))(3)P (Ni(3)P-type, space group I4, a = 9.6982(8) Å, c = 4.7590(4) Å) at -100 °C. Representation in terms of nets containing fused triangles provides a pathway to transform these closely related structures through twisting. Band structure calculations support the adoption of these structure types and the site preference of Fe atoms. Electrical resistivity measurements on (Mo(0.85)Fe(0.15))(3)P reveal metallic behavior but no superconducting transition.

Cations in Octahedral Sites: A Descriptor for Oxygen Electrocatalysis on Transition-Metal Spinels

Energy Technology Data Exchange (ETDEWEB)

Wei, Chao; Feng, Zhenxing; Scherer, Günther G.; Barber, James; Shao-Horn, Yang; Xu, Zhichuan J. (Nanyang); (ICL); (Oregon State U.); (TUM-CREATE); (MIT)

2017-04-10

Exploring efficient and low-cost electrocatalysts for the oxygen-reduction reaction (ORR) and oxygen-evolution reaction (OER) is critical for developing renewable energy technologies such as fuel cells, metal–air batteries, and water electrolyzers. A rational design of a catalyst can be guided by identifying descriptors that determine its activity. Here, a descriptor study on the ORR/OER of spinel oxides is presented. With a series of MnCo2O4, the Mn in octahedral sites is identified as an active site. This finding is then applied to successfully explain the ORR/OER activities of other transition-metal spinels, including MnxCo3-xO4 (x = 2, 2.5, 3), LixMn2O4 (x = 0.7, 1), XCo2O4 (X = Co, Ni, Zn), and XFe2O4 (X = Mn, Co, Ni). A general principle is concluded that the eg occupancy of the active cation in the octahedral site is the activity descriptor for the ORR/OER of spinels, consolidating the role of electron orbital filling in metal oxide catalysis.

Indacenodithienothiophene-Based Ternary Organic Solar Cells

Energy Technology Data Exchange (ETDEWEB)

Gasparini, Nicola, E-mail: nicola.gasparini@fau.de [Institute of Materials for Electronics and Energy Technology (I-MEET), Friedrich-Alexander-University Erlangen-Nuremberg, Erlangen (Germany); García-Rodríguez, Amaranda [Macromolecular Chemistry Group (buwmakro), Institute for Polymer Technology, BergischeUniversität Wuppertal, Wuppertal (Germany); Prosa, Mario [Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), Consiglio Nazionale delle Ricerche (CNR), Bologna (Italy); Bayseç, Şebnem; Palma-Cando, Alex [Macromolecular Chemistry Group (buwmakro), Institute for Polymer Technology, BergischeUniversität Wuppertal, Wuppertal (Germany); Katsouras, Athanasios; Avgeropoulos, Apostolos [Department of Materials Science Engineering, University of Ioannina, Ioannina (Greece); Pagona, Georgia; Gregoriou, Vasilis G. [Advent Technologies SA, Patras Science Park, Patra (Greece); National Hellenic Research Foundation (NHRF), Athens (Greece); Chochos, Christos L. [Department of Materials Science Engineering, University of Ioannina, Ioannina (Greece); Advent Technologies SA, Patras Science Park, Patra (Greece); Allard, Sybille; Scherf, Ulrich [Macromolecular Chemistry Group (buwmakro), Institute for Polymer Technology, BergischeUniversität Wuppertal, Wuppertal (Germany); Brabec, Christoph J. [Institute of Materials for Electronics and Energy Technology (I-MEET), Friedrich-Alexander-University Erlangen-Nuremberg, Erlangen (Germany); Bavarian Center for Applied Energy Research (ZAE Bayern), Erlangen (Germany); Ameri, Tayebeh, E-mail: nicola.gasparini@fau.de [Institute of Materials for Electronics and Energy Technology (I-MEET), Friedrich-Alexander-University Erlangen-Nuremberg, Erlangen (Germany)

2017-01-13

One of the key aspects to achieve high efficiency in ternary bulk-hetorojunction solar cells is the physical and chemical compatibility between the donor materials. Here, we report the synthesis of a novel conjugated polymer (P1) containing alternating pyridyl[2,1,3]thiadiazole between two different donor fragments, dithienosilole and indacenodithienothiophene (IDTT), used as a sensitizer in a host system of indacenodithieno[3,2-b]thiophene,2,3-bis(3-(octyloxy)phenyl)quinoxaline (PIDTTQ) and [6,6]-phenyl C{sub 70} butyric acid methyl ester (PC{sub 71}BM). We found that the use of the same IDTT unit in the host and guest materials does not lead to significant changes in the morphology of the ternary blend compared to the host binary. With the complementary use of optoelectronic characterizations, we found that the ternary cells suffer from a lower mobility-lifetime (μτ) product, adversely impacting the fill factor. However, the significant light harvesting in the near infrared region improvement, compensating the transport losses, results in an overall power conversion efficiency enhancement of ~7% for ternary blends as compared to the PIDTTQ:PC{sub 71}BM devices.

Description of light charged particle emission in ternary fission

International Nuclear Information System (INIS)

Andreev, A. V.; Adamian, G. G.; Antonenko, N. V.; Kuklin, S. N.; Scheid, W.

2010-01-01

We consider the motion of three fragments starting from the scission point of ternary system. In the alpha-accompanied ternary fission the initial conditions are not the free parameters and determined by minimization of potential energy at scission point. In the trajectory calculations the angular distribution and mean value of the kinetic energy of the alpha-particles are well described in the spontaneous ternary fission of 252 Cf. In the Be- and C-accompanied ternary fission we found that the emission of the third particle occurs from one of the heavy fragments after their separation. (authors)

Thermodynamic driving force effects in the oxygen reduction catalyzed by a metal-free porphyrin

Czech Academy of Sciences Publication Activity Database

Trojánek, Antonín; Langmaier, Jan; Samec, Zdeněk

2012-01-01

Roč. 82, SI (2012), s. 457-462 ISSN 0013-4686 R&D Projects: GA ČR GAP208/11/0697 Institutional research plan: CEZ:AV0Z40400503 Keywords : oxygen reduction * metal-free porphyrin * electrocatalysis Subject RIV: CG - Electrochemistry Impact factor: 3.777, year: 2012

The Role of Reactive Oxygen Species (ROS in the Biological Activities of Metallic Nanoparticles

Directory of Open Access Journals (Sweden)

Ahmed Abdal Dayem

2017-01-01

Full Text Available Nanoparticles (NPs possess unique physical and chemical properties that make them appropriate for various applications. The structural alteration of metallic NPs leads to different biological functions, specifically resulting in different potentials for the generation of reactive oxygen species (ROS. The amount of ROS produced by metallic NPs correlates with particle size, shape, surface area, and chemistry. ROS possess multiple functions in cellular biology, with ROS generation a key factor in metallic NP-induced toxicity, as well as modulation of cellular signaling involved in cell death, proliferation, and differentiation. In this review, we briefly explained NP classes and their biomedical applications and describe the sources and roles of ROS in NP-related biological functions in vitro and in vivo. Furthermore, we also described the roles of metal NP-induced ROS generation in stem cell biology. Although the roles of ROS in metallic NP-related biological functions requires further investigation, modulation and characterization of metallic NP-induced ROS production are promising in the application of metallic NPs in the areas of regenerative medicine and medical devices.

Evaluation of ternary blended cements for use in transportation concrete structures

Science.gov (United States)

Gilliland, Amanda Louise

This thesis investigates the use of ternary blended cement concrete mixtures for transportation structures. The study documents technical properties of three concrete mixtures used in federally funded transportation projects in Utah, Kansas, and Michigan that used ternary blended cement concrete mixtures. Data were also collected from laboratory trial batches of ternary blended cement concrete mixtures with mixture designs similar to those of the field projects. The study presents the technical, economic, and environmental advantages of ternary blended cement mixtures. Different barriers of implementation for using ternary blended cement concrete mixtures in transportation projects are addressed. It was concluded that there are no technical, economic, or environmental barriers that exist when using most ternary blended cement concrete mixtures. The technical performance of the ternary blended concrete mixtures that were studied was always better than ordinary portland cement concrete mixtures. The ternary blended cements showed increased durability against chloride ion penetration, alkali silica reaction, and reaction to sulfates. These blends also had less linear shrinkage than ordinary portland cement concrete and met all strength requirements. The increased durability would likely reduce life cycle costs associated with concrete pavement and concrete bridge decks. The initial cost of ternary mixtures can be higher or lower than ordinary portland cement, depending on the supplementary cementitious materials used. Ternary blended cement concrete mixtures produce less carbon dioxide emissions than ordinary portland cement mixtures. This reduces the carbon footprint of construction projects. The barriers associated with implementing ternary blended cement concrete for transportation projects are not significant. Supplying fly ash returns any investment costs for the ready mix plant, including silos and other associated equipment. State specifications can make

Lunar Metal Oxide Electrolysis with Oxygen and Photovoltaic Array Production Applications

Science.gov (United States)

Curreri, P. A.; Ethridge, E.; Hudson, S.; Sen, S.

2006-01-01

This paper presents the results of a Marshall Space Flight Center funded effort to conduct an experimental demonstration of the processing of simulated lunar resources by the molten oxide electrolysis (MOE) process to produce oxygen and metal from lunar resources to support human exploration of space. Oxygen extracted from lunar materials can be used for life support and propellant, and silicon and metallic elements produced can be used for in situ fabrication of thin-film solar cells for power production. The Moon is rich in mineral resources, but it is almost devoid of chemical reducing agents, therefore, molten oxide electrolysis, MOE, is chosen for extraction, since the electron is the most practical reducing agent. MOE was also chosen for following reasons. First, electrolytic processing offers uncommon versatility in its insensitivity to feedstock composition. Secondly, oxide melts boast the twin key attributes of highest solubilizing capacity for regolith and lowest volatility of any candidate electrolytes. The former is critical in ensuring high productivity since cell current is limited by reactant solubility, while the latter simplifies cell design by obviating the need for a gas-tight reactor to contain evaporation losses as would be the case with a gas or liquid phase fluoride reagent operating at such high temperatures. In the experiments reported here, melts containing iron oxide were electrolyzed in a low temperature supporting oxide electrolyte (developed by D. Sadoway, MIT). The production of oxygen and reduced iron were observed. Electrolysis was also performed on the supporting electrolyte with JSC-1 Lunar Simulant. The cell current for the supporting electrolyte alone is negligible while the current for the electrolyte with JSC-1 shows significant current and a peak at about -0.6 V indicating reductive reaction in the simulant.

Ternary particle yields in 249Cf(nth,f)

Science.gov (United States)

Tsekhanovich, I.; Büyükmumcu, Z.; Davi, M.; Denschlag, H. O.; Gönnenwein, F.; Boulyga, S. F.

2003-03-01

An experiment measuring ternary particle yields in 249Cf(nth,f) was carried out at the high flux reactor of the Institut Laue-Langevin using the Lohengrin recoil mass separator. Parameters of energy distributions were determined for 27 ternary particles up to 30Mg and their yields were calculated. The yields of 17 further ternary particles were estimated on the basis of the systematics developed. The heaviest particles observed in the experiment are 37Si and 37S; their possible origin is discussed.

The ternary system nickel-boron-silicon

International Nuclear Information System (INIS)

Lugscheider, E.; Reimann, H.; Knotek, O.

1975-01-01

The ternary system Nickel-Boron-Silicon was established at 850 0 C by means of X-ray diffraction, metallographic and micro-hardness examinations. The well known binary nickel borides and silicides resp. were confirmed. In the boron-silicon system two binary phases, SiBsub(4-x) with x approximately 0.7 and SiB 6 were found the latter in equilibrium with the β-rhombohedral boron. Confirming the two ternary silicon borides a greater homogeneity range was found for Ni 6 Si 2 B, the phase Nisub(4,6)Si 2 B published by Uraz and Rundqvist can better be described by the formula Nisub(4.29)Si 2 Bsub(1.43). In relation to further investigations we measured melting temperatures in ternary Ni-10 B-Si alloys by differential thermoanalysis. (author)

Design of ternary low-power Domino JKL flip—flop and its application

International Nuclear Information System (INIS)

Wang Pengjun; Yang Qiankun; Zheng Xuesong

2012-01-01

By researching the ternary flip—flop and the adiabatic Domino circuit, a novel design of low-power ternary Domino JKL flip—flop on the switch level is proposed. First, the switch-level structure of the ternary adiabatic Domino JKL flip—flop is derived according to the switch-signal theory and its truth table. Then the ternary loop operation circuit and ternary reverse loop operation circuit are achieved by employing the ternary JKL flip—flop. Finally, the circuit is simulated by using the Spice tool and the results show that the logic function is correct. The energy consumption of the ternary adiabatic Domino JKL flip—flop is 69% less than its conventional Domino counterpart. (semiconductor integrated circuits)

NiS and MoS2 nanosheet co-modified graphitic C3N4 ternary heterostructure for high efficient visible light photodegradation of antibiotic.

Science.gov (United States)

Lu, Xuejun; Wang, Yu; Zhang, Xinyi; Xu, Guangqing; Wang, Dongmei; Lv, Jun; Zheng, Zhixiang; Wu, Yucheng

2018-01-05

The development of efficient solar driven catalytic system for the degradation of antibiotics has become increasingly important in environmental protection and remediation. Non-noble-metal NiS and MoS 2 nanosheet co-modified graphitic C 3 N 4 ternary heterostructure has been synthesized via a facile combination of hydrothermal and ultrasound method, and the ternary heterostructure has been utilized for photocatalytic degradation of antibiotic agents. The antibiotics of ciprofloxacin (CIP) and tetracycline hydrochloride (TC) were photodegraded by the hybrid under the visible light. The optimal photodegradation rate of the ternary heterostructure reaches about 96% after 2h irradiation, which is 2.1 times higher than that of pure g-C 3 N 4 for TC degradation. The photocatalytic degradation rates of the ternary heterostructure for both CIP and TC obey the pseudo-first-order kinetic model. The enhanced visible light adsorption and charge separation efficiency contribute to the photocatalytic performance of the ternary heterostructure. This work provides new insights and pathways by which efficient degradation of antibiotics can be achieved and will stimulate further studies in this important field. Copyright © 2017 Elsevier B.V. All rights reserved.

The determination of oxygen in metals using an impulse heating furnace with a simple transfer lock

International Nuclear Information System (INIS)

Dale, L.S.; de Jong, S.; Kelly, J.W.; Whittem, R.N.

1975-05-01

An impulse heating furnace has been constructed for the determination of low levels of oxygen down to 100 μg g -1 in metals. The furnace is equipped with a sample transfer lock which permits samples to be loaded into outgassed crucibles in a helium atmosphere. As a result, blank levels in the range 2 to 3 μg oxygen are obtained; the modification also results in shorter sample processing time. The apparatus is described, and its suitability for oxygen determinations at these levels has been verified by comparison of results obtained on reference and analysed materials. (author)

Oxygen redox chemistry without excess alkali-metal ions in Na2/3[Mg0.28Mn0.72]O2.

Science.gov (United States)

Maitra, Urmimala; House, Robert A; Somerville, James W; Tapia-Ruiz, Nuria; Lozano, Juan G; Guerrini, Niccoló; Hao, Rong; Luo, Kun; Jin, Liyu; Pérez-Osorio, Miguel A; Massel, Felix; Pickup, David M; Ramos, Silvia; Lu, Xingye; McNally, Daniel E; Chadwick, Alan V; Giustino, Feliciano; Schmitt, Thorsten; Duda, Laurent C; Roberts, Matthew R; Bruce, Peter G

2018-03-01

The search for improved energy-storage materials has revealed Li- and Na-rich intercalation compounds as promising high-capacity cathodes. They exhibit capacities in excess of what would be expected from alkali-ion removal/reinsertion and charge compensation by transition-metal (TM) ions. The additional capacity is provided through charge compensation by oxygen redox chemistry and some oxygen loss. It has been reported previously that oxygen redox occurs in O 2p orbitals that interact with alkali ions in the TM and alkali-ion layers (that is, oxygen redox occurs in compounds containing Li + -O(2p)-Li + interactions). Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 exhibits an excess capacity and here we show that this is caused by oxygen redox, even though Mg 2+ resides in the TM layers rather than alkali-metal (AM) ions, which demonstrates that excess AM ions are not required to activate oxygen redox. We also show that, unlike the alkali-rich compounds, Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 does not lose oxygen. The extraction of alkali ions from the alkali and TM layers in the alkali-rich compounds results in severely underbonded oxygen, which promotes oxygen loss, whereas Mg 2+ remains in Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 , which stabilizes oxygen.

Preparation and photoluminescence enhancement in terbium(III ternary complexes with β-diketone and monodentate auxiliary ligands

Directory of Open Access Journals (Sweden)

Devender Singh

2016-12-01

Full Text Available A series of new solid ternary complexes of terbium(III ion based on β-diketone ligand acetylacetone (acac and monodentate auxiliary ligands (aqua/urea/triphenylphosphineoxide/pyridine-N-oxide had been prepared. The structural characterizations of synthesized ternary compounds were studied by means of elemental analysis, infrared (IR, and proton nuclear magnetic resonance (NMR spectral techniques. The optical characteristics were investigated with absorption as well as photoluminescence spectroscopy. Thermal behavior of compounds was examined by TGA/DTA analysis and all metal complexes were found to have good thermal stability. The luminescence decay time of complexes were also calculated by monitoring at emission wavelength corresponding to 5D4 → 7F5 transition. A comparative inspection of the luminescent behavior of prepared ternary compounds was performed in order to determine the function of auxiliary ligands in the enhancement of luminescence intensity produced by central terbium(III ion. The color coordinates values suggested that compounds showed bright green emission in visible region in electromagnetic spectrum. Complexes producing green light could play a significant role in the fabrication of efficient light conversion molecular devices for display purposes and lightning systems.

Synthesis and characterization of TiO2/Ag/polymer ternary nanoparticles via surface-initiated atom transfer radical polymerization

International Nuclear Information System (INIS)

Park, Jung Tae; Koh, Joo Hwan; Seo, Jin Ah; Cho, Yong Soo; Kim, Jong Hak

2011-01-01

We report on the novel ternary hybrid materials consisting of semiconductor (TiO 2 ), metal (Ag) and polymer (poly(oxyethylene methacrylate) (POEM)). First, a hydrophilic polymer, i.e. POEM, was grafted from TiO 2 nanoparticles via the surface-initiated atom transfer radical polymerization (ATRP) technique. These TiO 2 -POEM brush nanoparticles were used to template the formation of Ag nanoparticles by introduction of a AgCF 3 SO 3 precursor and a NaBH 4 aqueous solution for reduction process. Successful grafting of polymeric chains from the surface of TiO 2 nanoparticles and the in situ formation of Ag nanoparticles within the polymeric chains were confirmed using transmission electron microscopy (TEM), UV-vis spectroscopy, X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). FT-IR spectroscopy also revealed the specific interaction of Ag nanoparticles with the C=O groups of POEM brushes. This study presents a simple route for the in situ synthesis of both metal and polymer confined within the semiconductor, producing ternary hybrid inorganic-organic nanomaterials.

Role of ternary fission in synthesis of bypassed nuclei

International Nuclear Information System (INIS)

Kramarovskij, Ya.M.; Chechev, V.P.

1983-01-01

A possible influence of ternary fission with escape of neutron-enriched light charged particles on the synthesis of bypassed nuclides is considered. It is shown that this concept cannot give explanation of bypassed isotope concentrations, but it can make some contribution, if the probability of ternary fission for superheavy nuclei grows sharply with Z 2 /A parameter. The account of β-delayed fission contributes to the shift of ternary fission fragments into the region of neutron-deficient isotopes. Consistent consideration of the ternary fission role in the nucleosynthesis is possible only with an important accumulation of experimental and theoretical data on this process, particularly for the nuclei with Z > 100

Interfacial microstructure and shear strength of reactive air brazed oxygen transport membrane ceramic-metal alloy joints

Science.gov (United States)

FR, Wahid Muhamad; Yoon, Dang-Hyok; Raju, Kati; Kim, Seyoung; Song, Kwang-sup; Yu, Ji Haeng

2018-01-01

To fabricate a multi-layered structure for maximizing oxygen production, oxygen transport membrane (OTM) ceramics need to be joined or sealed hermetically metal supports for interfacing with the peripheral components of the system. Therefore, in this study, Ag-10 wt% CuO was evaluated as an effective filler material for the reactive air brazing of dense Ce0.9Gd0.1O2-δ-La0.7Sr0.3MnO3±δ (GDC-LSM) OTM ceramics. Thermal decomposition in air and wetting behavior of the braze filler was performed. Reactive air brazing was performed at 1050 °C for 30 min in air to join GDC-LSM with four different commercially available high temperature-resistant metal alloys, such as Crofer 22 APU, Inconel 600, Fecralloy, and AISI 310S. The microstructure and elemental distribution of the ceramic-ceramic and ceramic-metal interfaces were examined from polished cross-sections. The mechanical shear strength at room temperature for the as-brazed and isothermally aged (800 °C for 24 h) joints of all the samples was compared. The results showed that the strength of the ceramic-ceramic joints was decreased marginally by aging; however, in the case of metal-ceramic joints, different decreases in strengths were observed according to the metal alloy used, which was explained based on the formation of different oxide layers at the interfaces.

Study on the Mg-Li-Zn ternary alloy system with improved mechanical properties, good degradation performance and different responses to cells

NARCIS (Netherlands)

Liu, Yang; Wu, Yuanhao; Bian, Dong; Gao, Shuang; Leeflang, M.A.; Guo, Hui; Zheng, Yufeng; Zhou, J.

2017-01-01

Novel Mg-(3.5, 6.5wt%)Li-(0.5, 2, 4wt%)Zn ternary alloys were developed as new kinds of biodegradable metallic materials with potential for stent application. Their mechanical properties, degradation behavior, cytocompatibility and hemocompatibility were studied. These potential biomaterials

Ternary particle yields in 249Cf(nth,f)

International Nuclear Information System (INIS)

Tsekhanovich, I.; Bueyuekmumcu, Z.; Davi, M.; Denschlag, H.O.; Goennenwein, F.; Boulyga, S.F.

2003-01-01

An experiment measuring ternary particle yields in 249 Cf(n th ,f) was carried out at the high flux reactor of the Institut Laue-Langevin using the Lohengrin recoil mass separator. Parameters of energy distributions were determined for 27 ternary particles up to 30 Mg and their yields were calculated. The yields of 17 further ternary particles were estimated on the basis of the systematics developed. The heaviest particles observed in the experiment are 37 Si and 37 S; their possible origin is discussed

Calculation of Oxygen Fugacity in High Pressure Metal-Silicate Experiments and Comparison to Standard Approaches

Science.gov (United States)

Righter, K.; Ghiorso, M.

2009-01-01

Calculation of oxygen fugacity in high pressure and temperature experiments in metal-silicate systems is usually approximated by the ratio of Fe in the metal and FeO in the silicate melt: (Delta)IW=2*log(X(sub Fe)/X(sub FeO)), where IW is the iron-wustite reference oxygen buffer. Although this is a quick and easy calculation to make, it has been applied to a huge variety of metallic (Fe- Ni-S-C-O-Si systems) and silicate liquids (SiO2, Al2O3, TiO2, FeO, MgO, CaO, Na2O, K2O systems). This approach has surely led to values that have little meaning, yet are applied with great confidence, for example, to a terrestrial mantle at "IW-2". Although fO2 can be circumvented in some cases by consideration of Fe-M distribution coefficient, these do not eliminate the effects of alloy or silicate liquid compositional variation, or the specific chemical effects of S in the silicate liquid, for example. In order to address the issue of what the actual value of fO2 is in any given experiment, we have calculated fO2 from the equilibria 2Fe (metal) + SiO2 (liq) + O2 = Fe2SiO4 (liq).

Development of thin film oxygen transport membranes on metallic supports

Energy Technology Data Exchange (ETDEWEB)

Xing, Ye

2012-04-25

Asymmetric membrane structure has an attractive potential in the application of O{sub 2}/N{sub 2} gas separation membrane for the future membrane-based fossil fuel power plant using oxyfuel technology, which will reduce the carbon dioxide emission. The aim of this study is the development of a metal supported multi-layer membrane structure with a thin film top membrane layer and porous ceramic interlayers. Four perovskite materials were studied as candidate membrane materials. Material properties of these perovskite materials were investigated and compared. La{sub 0.58}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3-{delta}} (LSCF58428) showed sufficient oxygen permeability, an acceptable thermal expansion coefficient and a moderate sintering temperature. Alternatively, Ba{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3-{delta}} (BSCF5582) is considered obtaining very high oxygen permeability but a higher thermal expansion and a lower thermal stability than LSCF58428. Four different Ni-based alloys were studied as candidate substrate materials in the asymmetric membrane structure. The chromia-scale alloys (Hastelloy X, Inconel 600 and Haynes 214) caused Cr poisoning of the membrane layer material LSCF58428 during high-temperature co-firing in air. NiCoCrAlY with a high Al content (12.7 wt%) was found to be the most promising substrate material. It showed a good chemical compatibility with perovskite materials at high temperatures. In order to bridge the highly porous substrate and the thin top membrane layer interlayers were developed. Two interlayers were coated by screen printing on the porous NiCoCrAlY substrate which was sintered at 1225 C in flowing H{sub 2} atmosphere. Screen printing pastes were optimized by investigating various solvent and binder combinations and various ceramic powder contents. The first interlayer significantly improved the surface quality and the surface pore size has been reduced from 30-50{mu}m on the substrate to few {mu}m on the first

Ternary fission of 184466,476X formed in U + U collisions

International Nuclear Information System (INIS)

Karthikraj, C.; Subramanian, S.; Selvaraj, S.

2016-01-01

Recently, the very rare process of nuclear ternary fission has been of great interest in nuclear dynamics. Based on the statistical theory of fission, we discuss here the ternary-fission mass distribution of 184 466,476 X formed in low-energy U + U collisions for different heavy third fragments at T = 1 and 2 MeV. The expected ternary configurations 208 Pb + 208 Pb + 50 Ca and 204 Hg + 204 Hg + 58 Cr are obtained from the ternary fission of 184 466 X at T = 2 MeV. In addition, for both the systems, various possible ternary modes are listed for different heavy third fragments. Our results clearly indicate that the favored ternary configurations have either proton and/or neutron shell closure nucleus as one of their partners. (orig.)

Fusibility diagram of ternary system with incongruently melting double compound

International Nuclear Information System (INIS)

Lutsyk, V.I.; Vorob'eva, V.P.; Sumkina, O.G.

1989-01-01

Temperature calculation and properties of ternary eutectics and concentration coordinates of ternary peritectics accoriding to the linear model of initial crystallization surfaces as an element of the expert system for simulating fusibility diagrams of ternary systems is considered. It is shown that the calculated and experimental data on coordinates of ternary nonvariant points in the systems NaCl-PbCl 2 -CdCl 2 , PbCl 2 -CaCl 2 -UCl 4 , CaF 2 -NaF-CsF and UCl 3 -CaCl 2 -ThCl 4 are in good agreement

Crystallization features of ternary reversible reciprocal systems

International Nuclear Information System (INIS)

Tomashik, V.N.; Shcherbak, L.P.; Fejchuk, P.I.; Grytsiv, V.I.

2006-01-01

Some features of the primary crystallization of phases in ternary reversible reciprocal system are considered and discussed. The diagonal join CdTe-GeSe of the CdTe + GeSe = CdSe + GeTe ternary reciprocal system is studied to show that the features in primary and secondary heating and cooling curves in such systems under fully equilibrium conditions are not reproduced upon consecutive heating and cooling sessions, because of the existence of different amounts of the reagents and the reaction products in the mixture; the temperatures of each transformation lie in a range. Those who experimentally investigate other ternary and more complex reversible reciprocal systems should take this fact into account [ru

Metal phosphonate coordination networks and frameworks as precursors of electrocatalysts for the hydrogen and oxygen evolution reactions

Science.gov (United States)

Zhang, Rui; El-Refaei, Sayed M.; Russo, Patrícia A.; Pinna, Nicola

2018-05-01

The hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) play key roles in the conversion of energy derived from renewable energy sources into chemical energy. Efficient, robust, and inexpensive electrocatalysts are necessary for driving these reactions at high rates at low overpotentials and minimize energetic losses. Recently, electrocatalysts derived from hybrid metal phosphonate compounds have shown high activity for the HER or OER. We review here the utilization of metal phosphonate coordination networks and metal-organic frameworks as precursors/templates for transition-metal phosphides, phosphates, or oxyhydroxides generated in situ in alkaline solutions, and their electrocatalytic performance in HER or OER.

The characterisation of vapour-phase alkali metal-tellurium-oxygen species

International Nuclear Information System (INIS)

Gomme, R.A.; Ogden, J.S.; Bowsher, B.R.

1986-10-01

Detailed assessments of hypothetical severe accidents in light water reactors require the identification of the chemical forms of the radionuclides in order to determine their transport characteristics. Caesium and tellurium are important volatile fission products in accident scenarios. This report describes detailed studies to characterise the chemical species that vaporise from heated mixtures of various alkali metal-tellurium-oxygen systems. The molecular species were characterised by a combination of quadrupole mass spectrometry and matrix isolation-infrared spectroscopy undertaken in conjunction with experiments involving oxygen-18 substitution. The resulting spectra were interpreted in terms of a vapour-phase molecule with the stoichiometry M 2 TeO 3 (M = K,Rb,Cs) for M/Te molecular ratios of ∼ 2, and polymeric species for ratios < 2. This work has demonstrated the stability of caesium tellurite. The formation of this relatively low-volatility, water-soluble species could significantly modify the transport and release of caesium and tellurium. The data presented in this report should allow more comprehensive thermodynamic calculations to be undertaken that assist in the quantification of fission product behaviour during severe reactor accidents. (author)

A high-speed interconnect network using ternary logic

DEFF Research Database (Denmark)

Madsen, Jens Kargaard; Long, S. I.

1995-01-01

This paper describes the design and implementation of a high-speed interconnect network (ICN) for a multiprocessor system using ternary logic. By using ternary logic and a fast point-to-point communication technique called STARI (Self-Timed At Receiver's Input), the communication between...

Investigation of the electrocatalytic activity for oxygen reduction of sputter deposited mixed metal films

International Nuclear Information System (INIS)

Schumacher, L.C.; Holzheuter, I.B.; Nucara, M.C.; Dignam, M.J.

1989-01-01

Sputter-deposited films of silver with lead, manganese and nickel have been studied as possible oxygen reduction electrocatalysts using cyclic voltammetry, rotating disc studies, steady-state polarization and Auger analysis. In general, the Ag-Pb and Ag-Mn films display superior electrocatalytic activity for O 2 reduction, while the Ag-Ni films' performance is inferior to that of pure Ag. For the Ag-Pb films, which show the highest electrocatalytic activity, the mixed metal films display oxidation-reduction behavior which is not simply a superposition of that of the separate metals, and suggests a mechanism for the improved behavior

Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

KAUST Repository

Kanoun, Mohammed; Goumri-Said, Souraya

2014-01-01

We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

KAUST Repository

Kanoun, Mohammed

2014-09-01

We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young\\'s modulus, and Poisson\\'s ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

Calculation of Fe–B–V ternary phase diagram

International Nuclear Information System (INIS)

Homolová, Viera; Kroupa, Aleš; Výrostková, Anna

2012-01-01

Highlights: ► Phase diagram of Fe–B–V system was modelled by CALPHAD method. ► Database for thermodynamic calculations for Fe–B–V system was created. ► The new ternary phase was found in 67Fe–18B–15V [in at.%] alloy. - Abstract: The phase equilibria of the Fe–B–V ternary system are studied experimentally and theoretically in this paper. Phase diagram of the system was modelled by CALPHAD method. Boron was modelled as an interstitial element in the FCC and BCC solid solutions. The calculations of isothermal sections of phase diagram are compared with our experimental results at 903 and 1353 K and with available literature experimental data. New ternary phase (with chemical composition 28Fe32V40B in at.%) was found in 67Fe–18B–15V alloy [in at.%]. Further experimental studies for the determination of exact nature of the ternary phase including crystallographic information are necessary.

PRESERVING THE QUALITY AND PROLONGATION THE SHELF-LIFE OF BEEF PACKED UNDER VACUUM OR MODIFIED ATMOSPHERE USING TERNARY ANTIOXIDANT BLEND

Directory of Open Access Journals (Sweden)

Alexander Stoyanov Staykov

2016-06-01

Full Text Available Keeping the quality and prolongation the shelf-life of stored at 0  0.5ºC packed under vacuum or modified (80%О2/20%СО2 atmosphere beef m. semimembranosus sprayed with 0.02% solution, containing 10 g.l-1 dihydroquercetin from Siberian larch (Larix sibirica Ledeb, 5 g.l-1 rosemary (Rosmarinus officinalis extract and 1 g.l-1 L-ascorbic acid was studied. The experiments were carried out with five samples: control - air packaged; vacuum packaged; vacuum packaged and treated with 0.02% ternary antioxidant blend; packaged under modified atmosphere (80%O2/20%CO2; and packaged under rich in oxygen modified atmosphere, after spaying with 0.02% ternary antioxidant blend. Samples were stored 28 days (to 32 d post mortem at 0  0.5ºC. The pre-treatment of beef with ternary antioxidant blend preserve the sensory scores and colour properties of beef, and inhibited total microbial growth, and development of Brochothrix termosphacta and pathogens to the end of storage (28 d at 0  0.5ºC, was found. The pre-treatment of beef with ternary antioxidant blend was not main factors which can affect the pH and free amino nitrogen changes in fresh beef. The pre-treatment of beef with 0.02% ternary antioxidant blend may be successfully used for preserving the quality and prolonging the shelf-life of beef m. semimembranosus packed under modified (80%О2/20%СО2 atmosphere. The shelf-life can extend with 75% compared to air packed meat, and with 7 days against only vacuum- or modified atmosphere packed beef.

Experimental investigation of phase equilibria in the Co-W-V ternary system

International Nuclear Information System (INIS)

Liu Xingjun; Zhu Yihong; Yu Yan; Wang Cuiping

2011-01-01

Highlights: → Three isothermal sections of the Co-W-V ternary system at 1100 deg. C, 1200 deg. C and 1300 deg. C were determined. → No ternary compound was found in the Co-W-V ternary system. → A stable liquid miscibility gap is newly discovered in the Co-W-V ternary system. → This work is of great essence to establish the thermodynamic database for the Co-based alloys. - Abstract: The phase equilibria in the Co-W-V ternary system were experimentally investigated by optical microscopy (OM), electron probe microanalysis (EPMA) and X-ray diffraction (XRD) on the equilibrated alloys. Three isothermal sections of the Co-W-V ternary system at 1100 deg. C, 1200 deg. C and 1300 deg. C were determined, and no ternary compound was found in this system. In addition, a novel phenomena induced by the liquid phase separation in the Co-W-V alloys was firstly discovered, suggesting that a stable liquid miscibility gap exists in the Co-W-V ternary system. The newly determined phase equilibria and firstly discovered phase separation phenomena in the Co-W-V system will provide important information for the development of Co-W based alloys.

Fabrication of Ternary AgPdAu Alloy Nanoparticles on c-Plane Sapphire by the Systematical Control of Film Thickness and Deposition Sequence

Science.gov (United States)

Kunwar, Sundar; Pandey, Puran; Sui, Mao; Bastola, Sushil; Lee, Jihoon

2018-06-01

In this work, a systematic study on the fabrication of ternary AgPdAu alloy nanoparticles (NPs) on c-plane sapphire (0001) is presented and the corresponding structural and optical characteristics are demonstrated. The metallic trilayers of various thicknesses and deposition orders are annealed in a controlled manner (400 °C to 900 °C) to induce the solid-state dewetting that yields the various structural configurations of AgPdAu alloy NPs. The dewetting of relatively thicker trilayers (15 nm) is gradually progressed with void nucleation, growth, and coalescence, isolated NP formation, and shape transformation, along with the temperature control. For 6 nm thickness, owing to the sufficient dewetting of trilayers along with enhanced diffusion, dense and small spherical alloy NPs are fabricated. Depending on the specific growth condition, the surface diffusion and interdiffusion of metal atoms, surface and interface energy minimization, Rayleigh instability, and equilibrium configuration are correlated to describe the fabrication of ternary alloy NPs. Ternary alloy NPs exhibit morphology-dependent ultraviolet-visible-near infrared (UV-VIS-NIR) reflectance properties such as the inverse relationship of average reflectance with the surface coverage, absorption enhancement in specific regions, and reflectance maxima in UV and NIR regions. In addition, Raman spectra depict the six active phonon modes of sapphires and their intensity and position modulation by the alloy NPs.

Sequential character of low-energy ternary and quaternary nuclear fission

Energy Technology Data Exchange (ETDEWEB)

Kadmensky, S. G., E-mail: kadmensky@phys.vsu.ru; Bulychev, A. O. [Voronezh State University (Russian Federation)

2016-09-15

An analysis of low-energy true ternary (quaternary) nuclear fission leads to the conclusion that these fission modes have a sequential two-step (three-step) character such that the emission of a third particle (third and fourth particles) and the separation of fission fragments occur at distinctly different instants, in contrast to the simultaneous emergence of all fission products in the case of onestep ternary (quaternary) fission. This conclusion relies on the following arguments. First, the emission of a third particle (third and fourth particles) from a fissile nucleus is due to a nonevaporative mechanism associated with a nonadiabatic character of the collective deformation motion of this nucleus at the stages preceding its scission. Second, the axial symmetry of the deformed fissile compound nucleus and the direction of its symmetry axis both remain unchanged at all stages of ternary (quaternary) fission. This circumstancemakes it possible to explain themechanism of the appearance of observed anisotropies and T — odd asymmeries in the angular distributions of products of ternary (quaternary) nuclear fission. Third, the T —odd asymmetry discovered experimentally in ternary nuclear fission induced by cold polarized neutrons obeys the T —invariance condition only in the case of a sequential two-step (three-step) character of true ternary (quaternary) nuclear fission. At the same time, this asymmetry is not a T —invariant quantity in the case of the simultaneous emission of products of true ternary (quaternary) nuclear fission from the fissile compound nucleus.

Sequential character of low-energy ternary and quaternary nuclear fission

International Nuclear Information System (INIS)

Kadmensky, S. G.; Bulychev, A. O.

2016-01-01

An analysis of low-energy true ternary (quaternary) nuclear fission leads to the conclusion that these fission modes have a sequential two-step (three-step) character such that the emission of a third particle (third and fourth particles) and the separation of fission fragments occur at distinctly different instants, in contrast to the simultaneous emergence of all fission products in the case of onestep ternary (quaternary) fission. This conclusion relies on the following arguments. First, the emission of a third particle (third and fourth particles) from a fissile nucleus is due to a nonevaporative mechanism associated with a nonadiabatic character of the collective deformation motion of this nucleus at the stages preceding its scission. Second, the axial symmetry of the deformed fissile compound nucleus and the direction of its symmetry axis both remain unchanged at all stages of ternary (quaternary) fission. This circumstancemakes it possible to explain themechanism of the appearance of observed anisotropies and T — odd asymmeries in the angular distributions of products of ternary (quaternary) nuclear fission. Third, the T —odd asymmetry discovered experimentally in ternary nuclear fission induced by cold polarized neutrons obeys the T —invariance condition only in the case of a sequential two-step (three-step) character of true ternary (quaternary) nuclear fission. At the same time, this asymmetry is not a T —invariant quantity in the case of the simultaneous emission of products of true ternary (quaternary) nuclear fission from the fissile compound nucleus.

Constitution of the ternary system Cr–Ni–Ti

International Nuclear Information System (INIS)

Krendelsberger, Natalja; Weitzer, Franz; Du, Yong; Schuster, Julius C.

2013-01-01

Highlights: •Reaction scheme and liquidus surface for Cr-Ni-Ti are given. •In the ternary the C14-type Laves phase coexists with the liquid phase. •Two ternary eutectics are identified. -- Abstract: The nature of solid–liquid phase equilibria in the ternary system Cr–Ni–Ti was investigated using electron microscopy, energy dispersive spectroscopy, X-ray diffraction, and differential thermal analysis. Literature data on solid state phase equilibria are confirmed. The Cr 2 Ti Laves phase modifications coexisting with Ni–Ti phases are clarified to be hexagonal C14-type and cubic C15-type. The C14-type Laves phase γCr 2 Ti is found to coexist with the liquid phase. It forms in the pseudobinary peritectic reaction p max1 from L + β(Cr,Ti) at 1389 °C. On further cooling γCr 2 Ti + NiTi solidify at 1202 °C in the pseudobinary eutectic e max2 . In the Cr-rich part of the system ternary eutectics occur at 1216 °C (E 1 : L = Ni 3 Ti + (Ni) + β(Cr,Ti)) and 1100 °C (E 2 : L = NiTi + Ni 3 Ti + β(Cr,Ti)), respectively. No ternary eutectic is found in the Ti-rich part. Rather the eutectic trough ends in the binary eutectic L = NiTi 2 + β(Ti)

Zr-Fe-Sn Ternary System Phase Diagrams- New Experimental Results

International Nuclear Information System (INIS)

Nieva, N; Gomez, A; Arias, D

2004-01-01

New experimental results for the Zr-Fe-Sn ternary system are presented in this paper. The phases present and equilibrium relations for the 900 o C isothermal on the central zone of the Gibbs triangle are analysed. A set of ternary alloys was designed and obtained, and they were analysed by semi quantitative SEM- EDS, XRD, and metallographic samples. The resulting ternary phase diagrams are presented here (JCH)

Competitive adsorption and selectivity sequence of heavy metals by chicken bone-derived biochar: Batch and column experiment.

Science.gov (United States)

Park, Jong-Hwan; Cho, Ju-Sik; Ok, Yong Sik; Kim, Seong-Heon; Kang, Se-Won; Choi, Ik-Won; Heo, Jong-Soo; DeLaune, Ronald D; Seo, Dong-Cheol

2015-01-01

The objective of this research was to evaluate adsorption of heavy metals in single- and ternary-metal forms onto chicken bone biochar (CBB). Competitive sorption of heavy metals by CBB has never been reported previously. The maximum adsorption capacities of metals by CBB were in the order of Cu (130 mg g(-1)) > Cd (109 mg g(-1)) > Zn (93 mg g(-1)) in the single-metal adsorption isotherm and Cu (108 mg g(-1)) > Cd (54 mg g(-1)) ≥ Zn (44 mg g(-1)) in the ternary-metal adsorption isotherm. Cu was the most retained cation, whereas Zn could be easily exchanged and substituted by Cu. Batch experimental data best fit the Langmuir model rather than the Freundlich isotherms. In the column experiments, the total adsorbed amounts of the metals were in the following order of Cu (210 mg g(-1)) > Cd (192 mg g(-1)) > Zn (178) in single-metal conditions, and Cu (156) > Cd (123) > Zn (92) in ternary-metal conditions. Results from both the batch and column experiments indicate that competitive adsorption among metals increases the mobility of these metals. Especially, Zn in single-metal conditions lost it adsorption capacity most significantly. Based on the 3D simulation graphs of heavy metals, adsorption patterns under single adsorption condition were different than under competitive adsorption condition. Results from both the batch and column experiments show that competitive adsorption among metals increases the mobility of these metals. The maximum metal adsorption capacity of the metals in the column experiments was higher than that in the batch experiment indicating other metal retention mechanisms rather than adsorption may be involved. Therefore, both column and batch experiments are needed for estimating retention capacities and removal efficiencies of metals in CBB.

Growth and properties of Al-rich InxAl1-xN ternary alloy grown on GaN template by metalorganic chemical vapour deposition

International Nuclear Information System (INIS)

Oh, Tae Su; Suh, Eun-Kyung; Kim, Jong Ock; Jeong, Hyun; Lee, Yong Seok; Nagarajan, S; Lim, Kee Young; Hong, Chang-Hee

2008-01-01

An Al-rich In x Al 1-x N ternary alloy was grown on a GaN template by metal-organic chemical vapour deposition (MOCVD). The GaN template was fabricated on a c-plane sapphire with a low temperature GaN nucleation layer. The growth of the 300 nm thick In x Al 1-x N layer was carried out under various growth temperatures and pressures. The surface morphology and the InN molar fraction of the In x Al 1-x N layer were assessed by using atomic force microscopy (AFM) and high resolution x-ray diffraction, respectively. The AFM surface images of the In x Al 1-x N ternary alloy exhibited quantum dot-like grains caused by the 3D island growth mode. The grains, however, disappeared rapidly by increasing diffusion length and mobility of the Al adatoms with increasing growth temperature and the full width at half maximum value of ternary peaks in HR-XRD decreased with decreasing growth pressure. The MOCVD growth condition with the increased growth temperature and decreased growth pressure would be effective to grow the In x Al 1-x N ternary alloy with a smooth surface and improved quality. The optical band edge of In x Al 1-x N ternary alloys was estimated by optical absorbance and, based on the results of HR-XRD and optical absorbance measurements, we obtained the bowing parameter of the In x Al 1-x N ternary alloy at b = 5.3 eV, which was slightly larger than that of previous reports

A Three-dimensional Topological Model of Ternary Phase Diagram

International Nuclear Information System (INIS)

Mu, Yingxue; Bao, Hong

2017-01-01

In order to obtain a visualization of the complex internal structure of ternary phase diagram, the paper realized a three-dimensional topology model of ternary phase diagram with the designed data structure and improved algorithm, under the guidance of relevant theories of computer graphics. The purpose of the model is mainly to analyze the relationship between each phase region of a ternary phase diagram. The model not only obtain isothermal section graph at any temperature, but also extract a particular phase region in which users are interested. (paper)

Binary and ternary chelates of Sc(III), Y(III) and La(III) with ethylenediamine tetraacetic acid as primary ligand and substituted salicylic acids as secondary ligands

Energy Technology Data Exchange (ETDEWEB)

Pandey, A K; Chandra, M; Agarwala, B V; Dey, A K [Allahabad Univ. (India). Chemical Labs.

1980-02-01

Study of ternary complex formation of several tripositive metal ions viz. Sc(III), Y(III) and La(III) with ethylenediamine tetraacetic acid (EDTA) as a primary ligand and 5-chlorosalicylic acid (CSA) or 3,5-dibromosalicylic acid (DBSA) as secondary ligands by pH-metric titration technique is reported. The stability order of metal chelates with respect to ligands is observed to be DBSA>CSA and with respect to metal ions Sc(III)>Y(III)>La(III).

Ferromagnetism and half metallicity induced by oxygen vacancies in the double perovskite BaSrNiWO{sub 6}: DFT study

Energy Technology Data Exchange (ETDEWEB)

Aharbil, Y. [Laboratoire de Chimie Physique des Matériaux LCPM, Faculté des Sciences Ben M' Sik, Casablanca (Morocco); Labrim, H. [Unité Science de la Matière/DERS/Centre National de l’Energie, des Sciences et des Techniques Nucléaires (CNESTEN), Rabat (Morocco); Benmokhtar, S.; Haddouch, M. Ait [Laboratoire de Chimie Physique des Matériaux LCPM, Faculté des Sciences Ben M' Sik, Casablanca (Morocco); Bahmad, L., E-mail: bahmad@fsr.ac.ma [Mohammed V University in Rabat, Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E. URAC-12, B.P. 1014, Rabat (Morocco); Belhaj, A. [LIRST, Département de Physique, Faculté Poly-disciplinaire, Université Sultan Moulay Slimane, Béni Mellal (Morocco); Ez-Zahraouy, H.; Benyoussef, A. [Mohammed V University in Rabat, Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E. URAC-12, B.P. 1014, Rabat (Morocco)

2016-11-01

Using the spin polarized density functional theory (DFT) and exploring the Plane-Wave Self-Consistent Field (PWscf) code implemented in Quantum-ESPRESSO package, we investigate the effect of the Oxygen vacancies (V{sub O}) and the Oxygen interstitial (O{sub i}) on the double perovskite BaSrNiWO{sub 6}. This deals with the magnetic ordering and the electronic structure in such a pure sample exhibiting the insulating anti-ferromagnetic (AFM) state. This study shows that the presence of oxygen deficient defects converts the insulating to half metal with ferromagnetic or anti-ferromagnetic states. The magnetic ordering in BaSrNiWO{sub 6−δ} depends on the position of the Oxygen vacancy in the unit cell. However, it has been shown that the Oxygen interstitial preserves the anti-ferromagnetic propriety. We have computed the formation energies of different positions of the Oxygen vacancy (V{sub O}) and the Oxygen interstitial (O{sub i}) in the BaSrNiWO{sub 6} compound. We showed that the formation of V{sub O} is easier and vice versa for the O{sub i} formation. The obtained results reveal(V{sub O}) and the Oxygen interstitial (O{sub i}) that the anti-ferromagnetic can be converted to ferromagnetic in the double perovskite BaSrNiWO{sub 6} induced by Oxygen vacancies V{sub O}. - Highlights: • We have studied the ferromagnetism and Half Metallicity in Double Perovskite BaSrNiWO{sub 6}. • We have applied the Ab-inito calculations using the DFT approach. • We showed the effects induced by Oxygen Vacancies and Oxygen interstitial. • We found that the magnetic ordering in BaSrNiWO{sub 6−δ} depends on the position of the Oxygen vacancy in the unit cell.

Impact of ternary blends of biodiesel on diesel engine performance

Directory of Open Access Journals (Sweden)

Prem Kumar

2016-06-01

Full Text Available The Pongamia and waste cooking oils are the main non edible oils for biodiesel production in India. The aim of the present work is to evaluate the fuel properties and investigate the impact on engine performance using Pongamia and waste cooking biodiesel and their ternary blend with diesel. The investigation of the fuel properties shows that Pongamia biodiesel and waste cooking biodiesel have poor cold flow property. This will lead to starting problem in the engine operation. To overcome this problem the ternary blends of diesel, waste cooking biodiesel and Pongamia biodiesel are prepared. The cloud and pour point for ternary blend, (WCB20:PB20:D60 were found to be 7 °C and 6.5 °C which are comparable to cloud and pour point of diesel 6 °C and 5 °C, respectively. The result of the test showed that brake specific fuel consumption for Pongamia biodiesel and waste cooking biodiesel is higher than ternary blend, (WCB20:PB20:D60 due to their lower energy content. The brake thermal efficiency of ternary blend and diesel is comparable while the Pongamia and waste cooking biodiesel have low efficiency. The result of investigation showed that ternary blend can be developed as alternate fuel.

Charge distribution in the ternary fragmentation of {sup 252}Cf

Energy Technology Data Exchange (ETDEWEB)

Senthil Kannan, M.T.; Balasubramaniam, M. [Bharathiar University, Department of Physics, Coimbatore (India)

2017-08-15

We present here, for the first time, a study on ternary fragmentation charge distribution of {sup 252}Cf using the convolution integral method and the statistical theory. The charge distribution for all possible charge combinations of a ternary breakup are grouped as a bin containing different mass partitions. Different bins corresponding to various third fragments with mass numbers from A{sub 3} = 16 to 84 are identified with the available experimental masses. The corresponding potential energy surfaces are calculated using the three cluster model for the two arrangements A{sub 1} + A{sub 2} + A{sub 3} and A{sub 1} + A{sub 3} + A{sub 2}. The ternary fragmentation yield values are calculated for the ternary combination from each bin possessing minimum potential energy. The yields of the resulting ternary combinations as a function of the charge numbers of the three fragments are analyzed for both the arrangements. The calculations are carried out at different excitation energies of the parent nucleus. For each excitation energy the temperature of the three fragments are iteratively computed conserving the total energy. The distribution of fragment temperatures corresponding to different excitation energies for some fixed third fragments are discussed. The presence of the closed shell nucleus Sn in the favourable ternary fragmentation is highlighted. (orig.)

Free-standing ternary NiWP film for efficient water oxidation reaction

Science.gov (United States)

Yang, Yunpeng; Zhou, Kuo; Ma, Lili; Liang, Yanqin; Yang, Xianjin; Cui, Zhenduo; Zhu, Shengli; Li, Zhaoyang

2018-03-01

High-efficient catalysts for oxygen evolution reaction (OER) is of great concern in improving energy efficiency for water splitting. Here we report a high-performance OER electrocatalyst of nickel-tungsten-phosphorus (NiWP) film prepared by template method. This free-standing ternary electrocatalyst exhibits a remarkable electrocatalytic activity of OER in alkaline medium due to the synergetic effect among these elements and the good electrical conductivity. The reported NiWP composite catalyst has an overpotential of as low as 0.4 V (vs. RHE) at 30 mA cm-2, better than that of the commercial RuO2 catalyst. Moreover, a small charge transfer resistance of 4.06 Ω and a Tafel slope of 68 mV dec-1 demonstrate the outstanding catalytic activity.

Ternary iron(II) complex with an emissive imidazopyridine arm from Schiff base cyclizations and its oxidative DNA cleavage activity.

Science.gov (United States)

Mukherjee, Arindam; Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R

2005-01-21

The ternary iron(II) complex [Fe(L')(L")](PF6)3(1) as a synthetic model for the bleomycins, where L' and L" are formed from metal-mediated cyclizations of N,N'-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)(L), is synthesized and structurally characterized by X-ray crystallography. In the six-coordinate iron(ii) complex, ligands L' and L" show tetradentate and bidentate chelating modes of bonding. Ligand L' is formed from an intramolecular attack of the alcoholic OH group of L to one imine moiety leading to the formation of a stereochemically constrained five-membered ring. Ligand L" which is formed from an intermolecular reaction involving one imine moiety of L and pyridine-2-carbaldehyde has an emissive cationic imidazopyridine pendant arm. The complex binds to double-stranded DNA in the minor groove giving a Kapp value of 4.1 x 10(5) M(-1) and displays oxidative cleavage of supercoiled DNA in the presence of H2O2 following a hydroxyl radical pathway. The complex also shows photo-induced DNA cleavage activity on UV light exposure involving formation of singlet oxygen as the reactive species.

The analysis of irradiated nuclear fuel and cladding materials, determination of carbon, hydrogen and oxygen/metal ratio

International Nuclear Information System (INIS)

Jones, I.G.

1976-02-01

Equipment has been developed for the determination of carbon, hydrogen and oxygen/metal ratio on irradiated fuels, of carbon in stainless steel cladding materials and in graphite rich deposits, and of hydrogen in zircaloy. Carbon is determined by combustion to carbon dioxide which is collected and measured manometrically, hydrogen by vacuum extraction followed by diffusion through a palladium thimble, and oxygen/metal ratio by CO/CO 2 equilibration. A single set of equipment was devised in order to minimise the time and work involved in changing to a different set of equipment in a separate box, for each type of analysis. For each kind of analysis, alterations to the apparatus are involved but these can be carried out with the basic set in position in a shielded cell, although to do so it is necessary to obtain access via the gloves on the fibre-glass inner glove box. This requires a removal of samples emitting radiation, by transfer to an adjoining cell. A single vacuum system is employed. This is connected through a plug in the lead wall of the shielded cell, and couplings in the glove box wall to the appropriate furnaces. Carbon may be determined, in stainless steel containing 400 to 800 ppm C, with a coefficient of variation of +- 2%. On deposits containing carbon, the coefficient of variation is better than +- 1% for 2 to 30 mg of carbon. Hydrogen, at levels between 30 and 200 ppm in titanium can be determined with a coefficient of variation of better than +- 5%. Titanium has been used in lieu of zircaloy since standardised zircaloy specimens are not available. The precision for oxygen/metal ratio is estimated to be +- 0.001 Atoms oxygen. Sample weights of 200 mg are adequate for most analyses. (author)

Kinetics versus thermodynamics of the metal incorporation in molecular beam epitaxy of (InxGa1−x2O3

Directory of Open Access Journals (Sweden)

Patrick Vogt

2016-08-01

Full Text Available We present a detailed study of the reaction kinetics and thermodynamics of the plasma-assisted oxide molecular beam epitaxy of the ternary compound (InxGa1−x2O3 for 0 ≤ x ≤ 1. We measured the growth rate of the alloy in situ by laser reflectrometry as a function of growth temperature TG for different metal-to-oxygen flux ratios rMe, and nominal In concentrations xnom in the metal flux. We determined ex situ the In and Ga concentrations in the grown film by energy dispersive X-ray spectroscopy. The measured In concentration x shows a strong dependence on the growth parameters TG, rMe, and xnom whereas growth on different co-loaded substrates shows that in the macroscopic regime of ∼μm3 x does neither depend on the detailed layer crystallinity nor on crystal orientation. The data unveil that, in presence of In, Ga incorporation is kinetically limited by Ga2O desorption the same way as during Ga2O 3 growth. In contrast, In incorporation during ternary growth is thermodynamically suppressed by the presence of Ga due to stronger Ga–O bonds. Our experiments revealed that Ga adatoms decompose/etch the In–O bonds whereas In adatoms do not decompose/etch the Ga–O bonds. This result is supported by our thermochemical calculations. In addition we found that a low TG and/or excessively low rMe kinetically enables In incorporation into (InxGa1−x2O3. This study may help growing high-quality ternary compounds (InxGa1−x2O3 allowing band gap engineering over the range of 2.7–4.7 eV.

Density-Driven segregation in Binary and Ternary Granular Systems

NARCIS (Netherlands)

Windows-Yule, Kit; Parker, David

2015-01-01

We present a first experimental study of density-induced segregation within a three-dimensional, vibrofluidised, ternary granular system. Using Positron Emission Particle Tracking (PEPT), we study the steady-state particle distributions achieved by binary and ternary granular beds under a variety of

A high-throughput search for new ternary superalloys

Science.gov (United States)

Nyshadham, Chandramouli; Hansen, Jacob; Oses, Corey; Curtarolo, Stefano; Hart, Gus

In 2006 an unexpected new superalloy, Co3[Al,W], was discovered. This new alloy is cobalt-based, in contrast to conventional superalloys, which are nickel-based. Inspired by this new discovery, we performed first-principles calculations, searching through 2224 ternary metallic systems of the form A3[B0.5C0.5], where A = Ni/Co/Fe and [B, C] = all binary combinations of 40 different elements chosen from the periodic table. We found 175 new systems that are better than the Co3[Al, W] superalloy. 75 of these systems are brand new--they have never been reported in experimental literature. These 75 new potential superalloys are good candidates for further experiments. Our calculations are consistent with current experimental literature where data exists. Work supported under: ONR (MURI N00014-13-1-0635).

Coelectrodeposition of Ternary Mn-Oxide/Polypyrrole Composites for ORR Electrocatalysts: A Study Based on Micro-X-ray Absorption Spectroscopy and X-ray Fluorescence Mapping

Directory of Open Access Journals (Sweden)

Benedetto Bozzini

2015-08-01

Full Text Available Low energy X-ray fluorescence (XRF and soft X-ray absorption (XAS microspectroscopies at high space-resolution are employed for the investigation of the coelectrodeposition of composites consisting of a polypyrrole(PPy-matrix and Mn-based ternary dispersoids, that have been proposed as promising electrocatalysts for oxygen-reduction electrodes. Specifically, we studied Mn–Co–Cu/PP, Mn–Co–Mg/PPy and Mn–Ni–Mg/PPy co-electrodeposits. The Mn–Co–Cu system features the best ORR electrocatalytic activity in terms of electron transfer number, onset potential, half-wave potential and current density. XRF maps and micro-XAS spectra yield compositional and chemical state distributions, contributing unique molecular-level information on the pulse-plating processes. Mn, Ni, Co and Mg exhibit a bimodal distribution consisting of mesoscopic aggregates of micrometric globuli, separated by polymer-rich ridges. Within this common qualitative scenario, the individual systems exhibit quantitatively different chemical distribution patterns, resulting from specific electrokinetic and electrosorption properties of the single components. The electrodeposits consist of Mn3+,4+-oxide particles, accompanied by combinations of Co0/Co2+, Ni0/Ni2+ and Cu0,+/Cu2+ resulting from the alternance of cathodic and anodic pulses. The formation of highly electroactive Mn3+,4+ in the as-fabricated material is a specific feature of the ternary systems, deriving from synergistic stabilisation brought about by two types of bivalent dopants as well as by galvanic contact to elemental metal; this result represents a considerable improvement in material quality with respect to previously studied Mn/PPy and Mn-based/PPy binaries.

Behavior of metallic uranium-fissium fuel in TREAT transient overpower tests

International Nuclear Information System (INIS)

Bauer, T.H.; Klickman, A.E.; Lo, R.K.; Rhodes, E.A.; Robinson, W.R.; Stanford, G.S.; Wright, A.E.

1986-01-01

TREAT tests M2, M3, and M4 were performed to obtain information on two key behavior characteristics of fuel under transient overpower accident conditions in metal-fueled fast reactors: the prefailure axial self-extrusion (elongation beyond thermal expansion) of fuel within intact cladding and the margin to cladding breach. Uranium-5 wt% fissium Experimental Breeder Reactor-II driver fuel pins were used for the tests since they were available as suitable stand-ins for the uranium-plutonium-zirconium ternary fuel, which is the reference fuel of the integral fast reactor (IFR) concept. The ternary fuel will be used in subsequent TREAT tests. Preliminary results from tests M2 and M3 were presented earlier. The present report includes significant advances in analysis as well as additional data from test M4. Test results and analysis have led to the development and validation of pin cladding failure and fuel extrusion models for metallic fuel, within reasonable uncertainties for the uranium-fissium alloy. Concepts involved are straightforward and readily extendable to ternary alloys and behavior in full-size reactors

The ternary systems Sc-Sm(Dy)-Si at 870 K

International Nuclear Information System (INIS)

Kotur, B.Ya.; Mokra, I.Ya.; Toporinskij, A.Ya.

1991-01-01

Isothermal cross sections of the ternary systems Sc-Sm-Si and Sc-Dy-Si at 870 K have been plotted. Investigation of scandium and disprosium in ternary systems have been examined by X-ray diffraction and microstructure analysis. Besides literary data on binary systems Sc-Si, Sm-Si, Dy-Si have been used. Formation of limited (Sc-Sm-Si, Sc-Dy-Si) and continuous (Sc-Dy-Si) solid solutions based on bisilicides of Sc and Sm(Dy) is discovered. Two and five ternary compounds in Sc-Sm-Si and Sc-Dy-Si systems have been determined and their crystal structure has been established. When investigating of Sc-(rare earth element)-Si ternary systems and should take into account the specific interaction of scandium and samarium with REE

Experimental study of the ternary Ag-Cu-In phase diagram

International Nuclear Information System (INIS)

Bahari, Zahra; Elgadi, Mohamed; Rivet, Jacques; Dugue, Jerome

2009-01-01

The phase diagram of the Ag-Cu-In system was investigated using powder X-ray diffraction (XRD), differential scanning calorimetry (DSC) and electron probe microanalysis (EPMA). Two isothermal sections (at 510 and 607 deg. C) and 15 isopletic sections were studied. The results showed seven ternary peritectics, one ternary eutectic and one ternary metatectic. A complete reaction scheme was constructed, the valleys were drawn and the liquidus surfaces were derived from DSC data in the entire composition range.

Experimental study of the ternary Ag-Cu-In phase diagram

Energy Technology Data Exchange (ETDEWEB)

Bahari, Zahra [Laboratoire de chimie physique et minerale, Faculte des sciences pharmaceutiques et biologiques, Universite Paris Descartes, avenue de l' Observatoire, 75006 Paris (France); Laboratoire de chimie du solide mineral (LCSM), Faculte des sciences, Universite Mohamed 1er, Route Sidi Maafa, B.P. 524, Oujda, Maroc (Morocco); Elgadi, Mohamed [Laboratoire de chimie du solide mineral (LCSM), Faculte des sciences, Universite Mohamed 1er, Route Sidi Maafa, B.P. 524, Oujda, Maroc (Morocco); Rivet, Jacques [Laboratoire de chimie physique et minerale, Faculte des sciences pharmaceutiques et biologiques, Universite Paris Descartes, avenue de l' Observatoire, 75006 Paris (France); Dugue, Jerome [Laboratoire de chimie physique et minerale, Faculte des sciences pharmaceutiques et biologiques, Universite Paris Descartes, avenue de l' Observatoire, 75006 Paris (France)], E-mail: jerome.dugue@univ-paris5.fr

2009-05-27

The phase diagram of the Ag-Cu-In system was investigated using powder X-ray diffraction (XRD), differential scanning calorimetry (DSC) and electron probe microanalysis (EPMA). Two isothermal sections (at 510 and 607 deg. C) and 15 isopletic sections were studied. The results showed seven ternary peritectics, one ternary eutectic and one ternary metatectic. A complete reaction scheme was constructed, the valleys were drawn and the liquidus surfaces were derived from DSC data in the entire composition range.

High-field superconductivity in the Nb-Ti-Zr ternary system

International Nuclear Information System (INIS)

Ralls, K.M.; Rose, R.M.; Wulff, J.

1980-01-01

Resistive critical current densities, critical fields, and normal-state electrical resistivities were obtained at 4.2 0 K for 55 alloys in the Nb-Ti-Zr ternary alloy system, excepting Ti-Zr binary compositions. The resistive critical field as a function of ternary composition has a saddle point between the Nb-Ti and Nb-Zr binaries, so that ternary alloying in this system is not expected to result in higher critical fields than the binary alloys

High-field superconductivity in the Nb-Ti-Zr ternary system

Science.gov (United States)

Ralls, K. M.; Rose, R. M.; Wulff, J.

1980-06-01

Resistive critical current densities, critical fields, and normal-state electrical resistivities were obtained at 4.2 °K for 55 alloys in the Nb-Ti-Zr ternary alloy system, excepting Ti-Zr binary compositions. The resistive critical field as a function of ternary composition has a saddle point between the Nb-Ti and Nb-Zr binaries, so that ternary alloying in this system is not expected to result in higher critical fields than the binary alloys.

Development of metal catalyst impregnation technology for membrane-based oxygen removal system

International Nuclear Information System (INIS)

Kim, Mun Soo; Lee, Doo Ho; Kang, Duk Won

2005-01-01

Dissolved oxygen(DO) is a primary cause of PWSCC and its content in reactor coolant system in NPPs has been strictly controlled by various DO removal methods. There are several removal methods of DO, such as vacuum degasification, thermal deaeration, and reductive removal by oxygen scavengers. Although the operation principles of vacuum degasification and thermal deaeration are simple, these methods require a lot of energy for operation and show lower efficiency. And these methods have a few handicaps such as temperature, pH, toxicity, high cost of installation and so on. For the purpose of developing the best method for DO removal from make-up water storage tank, it is necessary to overcome the disadvantages of hydrazine treatment. From this point of view, membrane-based oxygen removal system (MORS) has many advantages than other methods for example, friendly environmental process, versatility of operation conditions with high temperature and low pressure, small space, low cost, etc. Recently de-gassing membrane is widely used in power plant's feed water system for DO removal. De-gassing membrane has some advantages; it removes other dissolved gases such as CO2, N2, as well as O2, and is more economical than Catalytic resin-based Oxygen Removal System. In this study, to obtain better efficiency of MORS, we modified the polypropylene (PP) hollow fiber membrane by plasma treatment and ion beam irradiation supported platinum(Pt), palladium(Pd) as metal catalyst on the surface of the membrane

Oxygen abundances in halo giants. I - Giants in the very metal-poor globular clusters M92 and M15 and the metal-poor halo field

Science.gov (United States)

Sneden, Christopher; Kraft, Robert P.; Prosser, Charles F.; Langer, G. E.

1991-12-01

Oxygen, iron, vanadium, and scandium abundances are derived for very metal-poor giants in the globular clusters M92 and M15, and giants of comparable metallicity in the local halo field. The forbidden O I line dublet (6300, 6363) and nearby metallic lines in spectra are analyzed using line analysis and spectral synthesis codes. The Fe/H abundance for M92 is estimated at -2.25 +/-0.02 based on nine giants with a range of 500 K in effective temperature. No evidence for star-to-star variations in the Fe/H abundance was found. O-rich and O-poor stars appear intermixed in the H-R diagram. O - N nuclear synthesis and mixing to the surface are proposed as the best explanation for the low-oxygen giants. The nitrogen abundances obtained earlier for nine of the ten halo field giants in this sample are incompatible with the very large nitrogen abundances expected of the O/Fe abundance of about + 1.2 in halo field subdwarfs, as found by Abia and Rebolo (1989), and not more than 0.6 in halo giants, as found in this and other studies.

Structure and physical properties of ternary uranium transition-metal antimonides U3MSb5 (M = Zr, Hf, Nb)

International Nuclear Information System (INIS)

Tkachuk, Andriy V.; Muirhead, Craig P.T.; Mar, Arthur

2006-01-01

The ternary uranium transition-metal antimonides U 3 MSb 5 (M = Zr, Hf, Nb) were prepared by arc-melting reactions followed by annealing at 800 deg. C, or by use of a Sn flux. These compounds extend the previously known series U 3 MSb 5 (M = Ti, V, Cr, Mn) and RE 3 MSb 5 (RE = La, Ce, Pr, Nd, Sm; M = Ti, Zr, Hf, Nb). The crystal structures of U 3 MSb 5 were determined by single-crystal X-ray diffraction data (Pearson symbol hP18, hexagonal, space group P6 3 /mcm, Z = 2; U 3 ZrSb 5 , a = 9.2223(3) A, c = 6.1690(2) A; U 3 HfSb 5 , a = 9.2084(4) A, c = 6.1629(3) A; U 3 NbSb 5 , a = 9.1378(4) A, c 6.0909(6) A). U 3 TaSb 5 has also been identified in microcrystalline form (a = 9.233(3) A, c = 6.142(3) A). Four-probe electrical resistivity measurements on single crystals and dc magnetic susceptibility measurements on powders indicated prominent transitions that are attributed to ferromagnetic ordering. The Curie temperatures, T C , located from ac magnetic susceptibility curves, are 135 K for U 3 ZrSb 5 , 141 K for U 3 HfSb 5 , and 107 K for U 3 NbSb 5

Solubility of metallic elements in LBE under extra low oxygen potential. JFY2003 joint research report

International Nuclear Information System (INIS)

Sano, Hiroyuki; Fujisawa, Toshiharu; Furukawa, Tomohiro; Aoto, Kazumi

2004-03-01

Lead-Bismuth eutectic alloy (LBE) has been considered as a prospective coolant for a fast-breeder reactor. However a corrosion of cooling pipe is anticipated when it is used at the similar temperature as sodium coolant. In this study, solubility of major metallic elements in LBE was measured under extra low oxygen potential. The interactive effect of those elements on the solubility was also to be examined. (1) The solubility of oxygen in LBE was measured by the gas equilibrium method (1223 k-1323 K). The standard Gibbs free energy change of oxygen solution reaction and the self-interaction parameter of oxygen in LBE were calculated, respectively. (2) The solubility of iron in LBE was measured by both the gas equilibrium method and the oxide equilibrium method (873 K-1323 K). The standard Gibbs free energy change of iron solution reaction, interaction parameter of oxygen on iron and self-interaction parameter of iron in LBE were calculated, respectively. (3) The interactive effect of iron and oxygen on the solubility in LBE was considered thermodynamically. (4) The solubility of chromium and nickel in LBE were measured under Ar-H 2 atmosphere. (author)

FUSED SALT METHOD FOR COATING URANIUM WITH A METAL

Science.gov (United States)

Eubank, L.D.

1959-02-01

A method is presented for coating uranium with a less active metal such as Cr, Ni, or Cu comprising immersing the U in a substantially anhydrous molten solution of a halide of these less active metals in a ternary chloride composition which consists of selected percentages of KCl, NaCl and another chloride such as LiCl or CaCl/sub 2/.

Modeling of H- surface conversion sources; binary (H-Ba) and ternary (H-Cs/W) converter arrangements

International Nuclear Information System (INIS)

van Os, C.F.A.; Kunkel, W.B.; Leguijt, C.; Los, J.

1991-01-01

The production process for the formation of H - ions in a surface conversion source is sputtering of hydrogen atoms from the converter surface layers by incident positive ions, followed by electron attachment via resonant charge exchange with the converter surface. The sputtering process is in direct relation to the converter surface composition. New experimental data led us to identify two different classes of converters: metallic converters, like solid barium(binary) and adlayer converters, like cesium on tungsten (ternary). For a binary converter the hydrogen in the surface layers is directly sputtered by the incoming ions. Consequently, the negative ion yield scales with the hydrogen concentration in the surface layers. In the cesium/tungsten system (ternary) the hydrogen at the surface is believed to be sandwiched between the cesium adlayer and the tungsten surface. Hence, the negative ion yield scales with the sputter coefficient of hydrogen on adsorbed cesium. This is experimentally confirmed

Pressure-induced magnetic collapse and metallization of molecular oxygen: The ζ-O2 phase

International Nuclear Information System (INIS)

Serra, S.; Chiarotti, G.; Scandolo, S.; Tosatti, E.

1998-01-01

The behavior of solid oxygen in the pressure range between 5-116 GPa is studied by ab-initio simulations, showing a spontaneous phase transformation from the antiferromagnetic insulating δ-O 2 phase to a non-magnetic, metallic molecular phase. The calculated static structure factor of this phase is in excellent agreement with X-ray diffraction data in the metallic ζ-O 2 phase above 96 GPa. We thus propose that ζ-O 2 should be base centered monoclinic with space group C2/m and 4 molecules per cell, suggesting a re-indexing of the experimental diffraction peaks. Physical constraints on the intermediate-pressure ε - O 2 phase are also obtained. (author)

Excess enthalpies of ternary mixtures of (oxygenated additives + aromatic hydrocarbon) mixtures in fuels and bio-fuels: (Dibutyl-ether + 1-propanol + benzene), or toluene, at T = (298.15 and 313.15) K

International Nuclear Information System (INIS)

Alaoui, Fatima E.M.; Aguilar, Fernando; González-Fernández, María Jesús; Dakkach, Mohamed; Montero, Eduardo A.

2015-01-01

Highlights: • New excess enthalpy data for ternary mixtures of (dibutyl ether + aromatic hydrocarbon + 1-propanol) are reported. • 2 ternary systems at T = (298.15 and 313.15) K were measured by means of an isothermal flow calorimeter. • 230 data were fitted to a Redlich–Kister rational equation. • Intermolecular and association effects involved in these systems have been discussed. - Abstract: New experimental excess molar enthalpy data of the ternary systems (dibutyl ether + 1-propanol + benzene, or toluene), and the corresponding binary systems at T = (298.15 and 313.15) K at atmospheric pressure are reported. A quasi-isothermal flow calorimeter has been used to make the measurements. All the binary and ternary systems show endothermic character at both temperatures. The experimental data for the systems have been fitted using the Redlich–Kister rational equation. Considerations with respect the intermolecular interactions amongst ether, alcohol and hydrocarbon compounds are presented

Study of the corrosion of metallic coatings and alloys containing aluminum in a mixed atmosphere - sulphur, oxygen - at high temperatures

International Nuclear Information System (INIS)

Fellmann, Daniel

1982-01-01

The objective of this research thesis is the development of materials for a sulphur experimental loop allowing the thermodynamic properties of such an energy cycle to be checked. As solutions must comply with industrial methods, rare materials are excluded as they are too expensive or difficult to implement. Iron-based materials have been tested but could not have at the same time a good corrosion resistance and high temperature forming and mechanical toughness properties. Therefore, metallic coatings have been chosen, specifically alumina. After having reported a bibliographical study on corrosion by sulphur vapour and by oxygen and by sulphur-oxygen, the author presents the experimental materials and methods. Then, the author reports the study of mixed corrosion (by sulphur and oxygen together) of metallic alloys (ferritic and austeno-ferritic alloys, aluminium and titanium alloys), and of the corrosion of FeAlx coatings, of AlTix alloys [fr

Charge-compensation in 3d-transition-metal-oxide intercalation cathodes through the generation of localized electron holes on oxygen.

Science.gov (United States)

Luo, Kun; Roberts, Matthew R; Hao, Rong; Guerrini, Niccoló; Pickup, David M; Liu, Yi-Sheng; Edström, Kristina; Guo, Jinghua; Chadwick, Alan V; Duda, Laurent C; Bruce, Peter G

2016-07-01

During the charging and discharging of lithium-ion-battery cathodes through the de- and reintercalation of lithium ions, electroneutrality is maintained by transition-metal redox chemistry, which limits the charge that can be stored. However, for some transition-metal oxides this limit can be broken and oxygen loss and/or oxygen redox reactions have been proposed to explain the phenomenon. We present operando mass spectrometry of (18)O-labelled Li1.2[Ni0.13(2+)Co0.13(3+)Mn0.54(4+)]O2, which demonstrates that oxygen is extracted from the lattice on charging a Li1.2[Ni0.13(2+)Co0.13(3+)Mn0.54(4+)]O2 cathode, although we detected no O2 evolution. Combined soft X-ray absorption spectroscopy, resonant inelastic X-ray scattering spectroscopy, X-ray absorption near edge structure spectroscopy and Raman spectroscopy demonstrates that, in addition to oxygen loss, Li(+) removal is charge compensated by the formation of localized electron holes on O atoms coordinated by Mn(4+) and Li(+) ions, which serve to promote the localization, and not the formation, of true O2(2-) (peroxide, O-O ~1.45 Å) species. The quantity of charge compensated by oxygen removal and by the formation of electron holes on the O atoms is estimated, and for the case described here the latter dominates.

Positron annihilation lifetime study of interfaces in ternary polymer blends

International Nuclear Information System (INIS)

Meghala, D; Ramya, P; Pasang, T; Raj, J M; Ranganathaiah, C; Williams, J F

2013-01-01

A new method based on positron lifetime spectroscopy is developed to characterize individual interfaces in ternary polymer blends and hence determine the composition dependent miscibility level. The method owes its origin to the Kirkwood-Risemann-Zimm (KRZ) model for the evaluation of the hydrodynamic interaction parameters (α ij ) which was used successfully for a binary blend with a single interface. The model was revised for the present work for ternary polymer blends to account for three interfaces. The efficacy of this method is shown for two ternary blends namely poly(styrene-co-acrylonitrile)/poly (ethylene-co-vinylacetate)/poly(vinyl chloride) (SAN/EVA/PVC) and polycaprolactone /poly(styrene-co-acrylonitrile)/poly(vinyl chloride) (PCL/SAN/PVC) at different compositions. An effective hydrodynamic interaction parameter, α eff , was introduced to predict the overall miscibility of ternary blends.

Elimination of matrix effects in the determination of oxygen in some non-ferrous metals by activation with 14 MeV neutrons

International Nuclear Information System (INIS)

Szopa, Z.; Sterlinski, S.; Tetteh, G.

1981-01-01

It is shown that the lower limit of detection and specificity of oxygen determination in strongly activated non-ferrous metals can be improved by means of the optimization of Pb-absorber thickness, cooling time and cyclic activation analysis. Some mathematical predictions are verified by oxygen determination in copper and yttrium. (author)

Efficient hydrogen evolution catalysis using ternary pyrite-type cobalt phosphosulphide

KAUST Repository

Cabán-Acevedo, Miguel

2015-09-14

The scalable and sustainable production of hydrogen fuel through water splitting demands efficient and robust Earth-abundant catalysts for the hydrogen evolution reaction (HER). Building on promising metal compounds with high HER catalytic activity, such as pyrite structure cobalt disulphide (CoS 2), and substituting non-metal elements to tune the hydrogen adsorption free energy could lead to further improvements in catalytic activity. Here we present a combined theoretical and experimental study to establish ternary pyrite-type cobalt phosphosulphide (CoPS) as a high-performance Earth-abundant catalyst for electrochemical and photoelectrochemical hydrogen production. Nanostructured CoPS electrodes achieved a geometrical catalytic current density of 10 mA cm at overpotentials as low as 48mV, with outstanding long-term operational stability. Integrated photocathodes of CoPS on n -p-p silicon micropyramids achieved photocurrents up to 35 mA cm at 0 V versus the reversible hydrogen electrode (RHE), onset photovoltages as high as 450 mV versus RHE, and the most efficient solar-driven hydrogen generation from Earth-abundant systems.

Molecule-Level g-C3N4 Coordinated Transition Metals as a New Class of Electrocatalysts for Oxygen Electrode Reactions

KAUST Repository

Zheng, Yao

2017-02-21

Organometallic complexes with metal-nitrogen/carbon (M-N/C) coordination are the most important alternatives to precious metal catalysts for oxygen reduction and evolution reactions (ORR and OER) in energy conversion devices. Here, we designed and developed a range of molecule-level graphitic carbon nitride (g-C3N4) coordinated transition metals (M-C3N4) as a new generation of M-N/C catalysts for these oxygen electrode reactions. As a proof-of-concept example, we conducted theoretical evaluation and experimental validation on a cobalt-C3N4 catalyst with a desired molecular configuration, which possesses comparable electrocatalytic activity to that of precious metal benchmarks for the ORR and OER in alkaline media. The correlation of experimental and computational results confirms that this high activity originates from the precise M-N2 coordination in the g-C3N4 matrix. Moreover, the reversible ORR/OER activity trend for a wide variety of M-C3N4 complexes has been constructed to provide guidance for the molecular design of this promising class of catalysts.

Thermal decomposition of cesium-ethylene-ternary graphite intercalation compounds

International Nuclear Information System (INIS)

Matsumoto, R.; Oishi, Y.; Arii, T.

2010-01-01

In this paper, the thermal decomposition of air-stable Cs-ethylene-ternary graphite intercalation compounds (GICs) is discussed. The air stability of Cs-GICs is improved remarkably after the absorption of ethylene into their interlayer nanospace, because the ethylene molecules oligomerize and block the movement of Cs atoms. In addition, the evaporation of Cs atoms from the Cs-ethylene-ternary GICs is observed above 400 o C under a N 2 atmosphere of 100 Pa by ion attachment mass spectrometry. Although the results indicate that Cs-ethylene-ternary GICs remain stable up to approximately 400 o C, their thermal stability is not very high as compared to that of Cs-GICs.

Embedding complete ternary tree in hypercubes using AVL trees

NARCIS (Netherlands)

S.A. Choudum; I. Raman (Indhumathi)

2008-01-01

htmlabstractA complete ternary tree is a tree in which every non-leaf vertex has exactly three children. We prove that a complete ternary tree of height h, TTh, is embeddable in a hypercube of dimension . This result coincides with the result of [2]. However, in this paper, the embedding utilizes

The surface chemistry of metal-oxygen interactions

DEFF Research Database (Denmark)

Stokbro, Kurt; Baroni, Stefano

1997-01-01

We report on a computational study of the clean and oxygen-covered Rh(110) surface, based on density-functional theory within the local-density approximation. We have used plane-wave basis sets and Vanderbilt ultra-soft pseudopotentials. For the clean surface, we present results for the equilibrium...... structure, surface energy and surface stress of the unreconstructed and (1 x 2) reconstructed structures. For the oxygen-covered surface we have performed a geometry optimization at 0.5, 1, and 2 monolayer oxygen coverages, and we present results for the equilibrium configurations, workfunctions and oxygen...

Energy dissipation in the process of ternary fission in heavy nuclear reaction

International Nuclear Information System (INIS)

Li Xian; Wang Chengqian; Yan Shiwei

2015-01-01

We studied the evolution of the collective motion, interaction potential, the total kinetic and excitation energies in ternary fissions of 197 Au + 197 Au system at 15 MeV/u, and discussed energy dissipation of this reaction. Through the comparison with energy-angle correlation data in binary fissions, we preliminarily concluded that the rst fission of ternary fission was an extreme deep-inelastic process. We further analyzed the correlation of the total kinetic energy with impact parameters in both binary and ternary reactions, and found that the total energy of binary reactions systems was lost about 150 MeV more than ternary fission with small impact parameters, and with larger impact parameters the total energy of ternary reactions were lost 300 MeV more than binary reactions. (authors)

The reactions of oxygen and hydrogen with liquid sodium

International Nuclear Information System (INIS)

Ullmann, H.

1981-01-01

Results so far available as to the reactions and chemical equilibrium of oxygen and hydrogen with liquid sodium have been analyzed critically. The enthalpy values of the reactions have been discussed and supplemented on the basis of corresponding BORN-HABER cycles. The concentration and temperature functions of the hydrogen equilibrium pressure were deduced from experimental results. In relation to the solubility data the solid phases coexisting with liquid sodium in the ternary system Na-O-H have been discussed. The reaction of oxygen with hydrogen in diluted solution in liquid sodium has been investigated in more detail. Interaction coefficients, and the temperature functions of the free energy of formation and the equilibrium constant have been determined. (orig.)

Studies on Ternary Complex Formation of U(VI)-salicylate by Using Time-resolved Fluorescence Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Cha, Wan Sik; Cho, H. R.; Park, K. K.; Kim, W. H.; Jung, E. C. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2010-05-15

Organic ligands containing carboxylic and phenolic functional groups naturally occur in groundwater environment, particularly in forms of polyelectrolytes such as humic and fulvic acids, from microbial degradation of biomass, e.g., plant and animal tissues. These ligands play important roles in dissolution and migration of actinide radionuclide species since they can form stable ternary actinide complexes with common inorganic ions like hydroxides and carbonates. Therefore, model ternary complexes of lanthanides and actinides have been targets of studies to understand their chemical behaviors under near-neutral pH groundwater conditions. Previous model carboxylic ligands include phthalates, maleic acids, or alpha- substituted carboxylic acids. However, majority of previous studies investigated binary systems or used potentiometric titration method that requires high ligand concentration in mM levels. Recently, highly sensitive time-resolved laserinduced fluorescence spectroscopy (TRLFS) has been used to investigate lower concentration (e.g., a few {mu}M levels) reactions of binary complexes between of ligands and metal ions. This technique provides information regarding electronic structures and complexation constants as well as fluorescence quenching mechanism. In the present study, we studied the U(VI)-OH-salicylate (SA) ternary complex formation at higher pH (> 4) via TRLF spectrum and UV-Vis absorbance measurement. Preliminary studies show that the fluorescence (FL) intensity of hydroxouranyl species at pH 4.5 decreases as SA concentration elevates in aqueous solution. Fluorescence quenching mechanism by SA is suggested based on FL intensity (I) and lifetime (tau) measurement via TRLFS

Tuning metal–graphene interaction by non-metal intercalation: a case study of the graphene/oxygen/Ni (1 1 1) system

International Nuclear Information System (INIS)

Zhang, Wei-Bing; Chen, Chuan

2015-01-01

Epitaxial growth of graphene on transition metal surfaces has been proposed as one of the most promising methods for large-scale preparation of high-quality graphene. However, the presence of the substrate could significantly affect the intrinsic electronic structure of graphene and intercalation of metals is an established route for decoupling the graphene from the substrate. Taking a graphene/Ni(1 1 1) surface as an example, we suggest reactive oxygen as an effective intercalation element to recover the linear dispersion of graphene based on density functional theory calculation, in which vdW interactions are treated using the optB88-vdW functional. The possible intercalation configurations at different coverage are considered and the geometry and electronic structure are analyzed in detail. Our results indicate that the energy favorable structures change from top-fcc to bridge-top configuration after oxygen intercalation and the binding between the graphene and the O/Ni(1 1 1) substrate becomes stronger at high oxygen coverage even than pure Ni(1 1 1) substrate. Most interestingly, the electronic structure of pristine graphene is found to be almost restored, especially for the bridge-top configuration after oxygen intercalation, and the Dirac points move towards the high energy region relative to the Fermi level. A graphene/oxygen/Ni (1 1 1) system is thus suggested as a p-type doped strongly bound Dirac system. Detailed analysis using projected energy band and differential charge density indicates that the intercalated oxygen atoms react with the Ni (1 1 1) surface strongly, which not only blocks the strong interaction between Ni and graphene but also passivates oxygen 2p states. The intercalation mechanisms distinguished from the conventional metal intercalation will be useful to understand other complex intercalation systems. (paper)

Investigation of Ternary Transition-Metal Nitride Systems by Reactive Cosputtering

NARCIS (Netherlands)

Dover, R.B. Van; Hessen, B.; Werder, D.; Chen, C.-H.; Felder, R.J.

1993-01-01

A reactive dc cosputtering technique has been used to evaluate compound formation in bimetallic transition-metal nitride systems. A wide range in M-M’ composition can be studied in a single deposition run, and the method is applicable to nonalloying metal combinations. Using this technique, it was

Heavy metal ternary halides for room-temperature x-ray and gamma-ray detection

Science.gov (United States)

Liu, Zhifu; Peters, John A.; Stoumpos, Constantinos C.; Sebastian, Maria; Wessels, Bruce W.; Im, Jino; Freeman, Arthur J.; Kanatzidis, Mercouri G.

2013-09-01

We report our recent progress on wide bandgap ternary halide compounds CsPbBr3 and CsPbCl3 for room temperature x-ray and gamma-ray detectors. Their bandgaps are measured to be 2.24 eV and 2.86 eV, respectively. The measured mobility-lifetime products of CsPbBr3 are 1.7×10-3, 1.3×10-3 cm2/V, for electron and hole carriers, respectively, comparable to those of CdTe. We measured the room temperature spectral response of CsPbBr3 sample to Ag x-ray radiation. It has a well-resolved spectral response to the 22.4 keV Kα radiation peak and detector efficiency comparable to that of CdZnTe detector at 295 K.

A Josephson ternary associative memory cell

International Nuclear Information System (INIS)

Morisue, M.; Suzuki, K.

1989-01-01

This paper describes a three-valued content addressable memory cell using a Josephson complementary ternary logic circuit named as JCTL. The memory cell proposed here can perform three operations of searching, writing and reading in ternary logic system. The principle of the memory circuit is illustrated in detail by using the threshold-characteristics of the JCTL. In order to investigate how a high performance operation can be achieved, computer simulations have been made. Simulation results show that the cycle time of memory operation is 120psec, power consumption is about 0.5 μW/cell and tolerances of writing and reading operation are +-15% and +-24%, respectively

INTERVAL-VALUED INTUITIONISTIC FUZZY BI-IDEALS IN TERNARY SEMIRINGS

Directory of Open Access Journals (Sweden)

D. KRISHNASWAMY

2016-04-01

Full Text Available In this paper we introduce the notions of interval-valued fuzzy bi-ideal, interval-valued anti fuzzy bi-ideal and interval-valued intuitionistic fuzzy bi-ideal in ternary semirings and some of the basic properties of these ideals are investigated. We also introduce normal interval-valued intuitionistic fuzzy ideals in ternary semirings.

Determination of the neutral oxygen atom density in a plasma reactor loaded with metal samples

Science.gov (United States)

Mozetic, Miran; Cvelbar, Uros

2009-08-01

The density of neutral oxygen atoms was determined during processing of metal samples in a plasma reactor. The reactor was a Pyrex tube with an inner diameter of 11 cm and a length of 30 cm. Plasma was created by an inductively coupled radiofrequency generator operating at a frequency of 27.12 MHz and output power up to 500 W. The O density was measured at the edge of the glass tube with a copper fiber optics catalytic probe. The O atom density in the empty tube depended on pressure and was between 4 and 7 × 1021 m-3. The maximum O density was at a pressure of about 150 Pa, while the dissociation fraction of O2 molecules was maximal at the lowest pressure and decreased with increasing pressure. At about 300 Pa it dropped below 10%. The measurements were repeated in the chamber loaded with different metallic samples. In these cases, the density of oxygen atoms was lower than that in the empty chamber. The results were explained by a drain of O atoms caused by heterogeneous recombination on the samples.

First-principles study of ternary fcc solution phases from special quasirandom structures

International Nuclear Information System (INIS)

Shin Dongwon; Wang Yi; Liu Zikui; Walle, Axel van de

2007-01-01

In the present work, ternary special quasirandom structures (SQSs) for a fcc solid solution phase are generated at different compositions, x A =x B =x C =(1/3) and x A =(1/2), x B =x C =(1/4), whose correlation functions are satisfactorily close to those of a random fcc solution. The generated SQSs are used to calculate the mixing enthalpy of the fcc phase in the Ca-Sr-Yb system. It is observed that first-principles calculations of all the binary and ternary SQSs in the Ca-Sr-Yb system exhibit very small local relaxation. It is concluded that the fcc ternary SQSs can provide valuable information about the mixing behavior of the fcc ternary solid solution phase. The SQSs presented in this work can be widely used to study the behavior of ternary fcc solid solutions

Modelling Eu(III) speciation in a Eu(III)/PAHA/α-Al2O3 ternary system

International Nuclear Information System (INIS)

Janot, Noemie; Reiller, Pascal E.; Benedetti, Marc F.

2013-01-01

In this work, modelling of Eu(III) speciation in a ternary system, i.e., in presence of purified Aldrich humic acid (PAHA) and α-Al 2 O 3 , is presented. First, the mineral surface charge is measured by potentiometric titrations and then described using the CD-MUSIC model. This model is also used to describe Eu(III) binding to the α-Al 2 O 3 surface at different pH values, ionic strength and mineral concentrations. Time resolved luminescence spectroscopy (TRLS) is then used to study the binding of Eu(III) to PAHA at pH 4 with different humic acid concentrations. The spectra are used to calculate a spectroscopic 'titration curve', used to determine Eu(III)/PAHA binding parameters in the NICA-Donnan model. Following a previous study (Janot et al., Water Res. 46, 731-740), modelling of the ternary system is based upon the definition of two PAHA pools where one fraction remains in solution and the other is adsorbed onto the mineral surface, with each possessing different proton and metal binding parameters. The modification of protonation behaviour for both fractions is examined using spectrophotometric titrations of the non adsorbed PAHA fraction at different organic/mineral ratios. These data are then used to describe Eu(III) interactions in the ternary system: Eu(III) re-partitioning in the ternary system is calculated for different pH, ionic strength and PAHA concentrations, and results are compared to experimental observations. The model is in good agreement with experimental data, except at high PAHA fractionation rates. Results show that organic complexation dominates over a large pH range, with the predominant species existing as the surface-bound fraction. Above pH 8, Eu(III) seems to be mostly complexed to the mineral surface, which is in agreement with previous spectroscopic observations (Janot et al., Environ. Sci. Technol. 45, 3224-3230). (authors)

Reactive oxygen species-related activities of nano-iron metal and nano-iron oxides.

Science.gov (United States)

Wu, Haohao; Yin, Jun-Jie; Wamer, Wayne G; Zeng, Mingyong; Lo, Y Martin

2014-03-01

Nano-iron metal and nano-iron oxides are among the most widely used engineered and naturally occurring nanostructures, and the increasing incidence of biological exposure to these nanostructures has raised concerns about their biotoxicity. Reactive oxygen species (ROS)-induced oxidative stress is one of the most accepted toxic mechanisms and, in the past decades, considerable efforts have been made to investigate the ROS-related activities of iron nanostructures. In this review, we summarize activities of nano-iron metal and nano-iron oxides in ROS-related redox processes, addressing in detail the known homogeneous and heterogeneous redox mechanisms involved in these processes, intrinsic ROS-related properties of iron nanostructures (chemical composition, particle size, and crystalline phase), and ROS-related bio-microenvironmental factors, including physiological pH and buffers, biogenic reducing agents, and other organic substances. Copyright © 2014. Published by Elsevier B.V.

The partially alternating ternary sum in an associative dialgebra

International Nuclear Information System (INIS)

Bremner, Murray R; Sanchez-Ortega, Juana

2010-01-01

The alternating ternary sum in an associative algebra, abc - acb - bac + bca + cab - cba, gives rise to the partially alternating ternary sum in an associative dialgebra with products dashv and vdash by making the argument a the center of each term. We use computer algebra to determine the polynomial identities in degree ≤9 satisfied by this new trilinear operation. In degrees 3 and 5, these identities define a new variety of partially alternating ternary algebras. We show that there is a 49-dimensional space of multilinear identities in degree 7, and we find equivalent nonlinear identities. We use the representation theory of the symmetric group to show that there are no new identities in degree 9.

α-ternary decay of Cf isotopes, statistical model

International Nuclear Information System (INIS)

Joseph, Jayesh George; Santhosh, K.P.

2017-01-01

The process of splitting a heavier nucleus to three simultaneous fragments is termed as ternary fission and compared to usual binary fission, it is a rare process. Depending on the nature of third particle either it is called light charged particle (LCP) accompanying fission if it is light or true ternary fission if all three fragments have nearly same mass distributions. After experimental observations in early seventies, initially with a slow pace, now theoretical studies in ternary fission has turned to a hot topic in nuclear decay studies especially in past one decade. Mean while various models have been developed, existing being modified and seeking for new with a hope that it can beam a little more light to the profound nature of nuclear interaction. In this study a statistical method, level density formulation, has been employed

Interface-modulated approach toward multilevel metal oxide nanotubes for lithium-ion batteries and oxygen reduction reaction

Institute of Scientific and Technical Information of China (English)

Jiashen Meng; Chaojiang Niu; Xiong Liu; Ziang Liu; Hongliang Chen; Xuanpeng Wang; Jiantao Li

2016-01-01

Metal oxide hollow structures with multilevel interiors are of great interest for potential applications such as catalysis,chemical sensing,drug delivery,and energy storage.However,the controlled synthesis of multilevel nanotubes remains a great challenge.Here we develop a facile interface-modulated approach toward the synthesis of complex metal oxide multilevel nanotubes with tunable interior structures through electrospinning followed by controlled heat treatment.This versatile strategy can be effectively applied to fabricate wire-in-tube and tubein-tube nanotubes of various metal oxides.These multilevel nanotubes possess a large specific surface area,fast mass transport,good strain accommodation,and high packing density,which are advantageous for lithium-ion batteries (LIBs)and the oxygen reduction reaction (ORR).Specifically,shrinkable CoMn2O4 tube-in-tube nanotubes as a lithium-ion battery anode deliver a high discharge capacity of ～565 mAh.g-1 at a high rate of 2 A.g-1,maintaining 89％ of the latter after 500 cycles.Further,as an oxygen reduction reaction catalyst,these nanotubes also exhibit excellent stability with about 92％ current retention after 30,000 s,which is higher than that of commercial Pt/C (81％).Therefore,this feasible method may push the rapid development of one-dimensional (1D) nanomaterials.These multifunctional nanotubes have great potential in many frontier fields.

Kinetic and thermodynamic study of lithium ternary amalgams in contact with solvated lithium hydroxide

International Nuclear Information System (INIS)

Cordova M, M.

1991-12-01

Lithium amalgams are used on lithium isotope separation, the process has been studied in its different parameters, but there is no information on the isotopic separation in the presence of ternary metals diluted in the amalgam. The latest voltammetric technique developed for trace analysis is used for the study, to determine the effects of the presence of cadmium, which has been selected on compatibility criteria with the system, in the intermetallic structures of the amalgam. The differential pulse anodic stripping voltammetry indicates the presence of an intermetallic persistent structure after the potassium and lithium oxidation. This structure has a slow formation and destruction rate, with an anionic character, which accounts for the oxidation potential displacement of the amalgamated metals. The activation energy results of amalgam decomposition reaction in contact with water, allows to establish the intermetallic effects on this reaction, raising the energy of the activated state, on condition that there were time to form it. A reaction mechanism is proposed that agrees with these results. The study of the isotopic composition indicates that the intermetallic species affect the thermodynamic equilibrium between the phases in contact. The measurements of the system's isotopic composition do not give exact values for the separation factors, but they establish a difference in the sign of enthalpies of the isotopic equilibria. The enthalpy for the isotopic exchange for the binary amalgam is negative, with a value that agrees with those in the literature. Nevertheless, those of the ternary systems are positive, indicating an endothermic character process. (author)

Adiabatic pipelining: a key to ternary computing with quantum dots

Science.gov (United States)

Pečar, P.; Ramšak, A.; Zimic, N.; Mraz, M.; Lebar Bajec, I.

2008-12-01

The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.

Adiabatic pipelining: a key to ternary computing with quantum dots

International Nuclear Information System (INIS)

Pecar, P; Zimic, N; Mraz, M; Lebar Bajec, I; Ramsak, A

2008-01-01

The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.

Adiabatic pipelining: a key to ternary computing with quantum dots.

Science.gov (United States)

Pečar, P; Ramšak, A; Zimic, N; Mraz, M; Lebar Bajec, I

2008-12-10

The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.

Thermodynamic and topological instability approaches for forecasting glass-forming ability in the ternary Al-Ni-Y system

International Nuclear Information System (INIS)

Oliveira, M.F. de; Aliaga, L.C.R.; Bolfarini, C.; Botta, W.J.; Kiminami, C.S.

2008-01-01

A thermodynamic approach to predict bulk glass-forming compositions in binary metallic systems was recently proposed. In this approach, the parameter γ* = ΔH amor /(ΔH inter - ΔH amor ) indicates the glass-forming ability (GFA) from the standpoint of the driving force to form different competing phases, and ΔH amor and ΔH inter are the enthalpies for glass and intermetallic formation, respectively. Good glass-forming compositions should have a large negative enthalpy for glass formation and a very small difference for intermetallic formation, thus making the glassy phase easily reachable even under low cooling rates. The γ* parameter showed a good correlation with GFA experimental data in the Ni-Nb binary system. In this work, a simple extension of the γ* parameter is applied in the ternary Al-Ni-Y system. The calculated γ* isocontours in the ternary diagram are compared with experimental results of glass formation in that system. Despite some misfitting, the best glass formers are found quite close to the highest γ* values, leading to the conclusion that this thermodynamic approach can be extended to ternary systems, serving as a useful tool for the development of new glass-forming compositions. Finally the thermodynamic approach is compared with the topological instability criteria used to predict the thermal behavior of glassy Al alloys

Effect of oxygen on tuning the TiNx metal gate work function on LaLuO3

International Nuclear Information System (INIS)

Mitrovic, I.Z.; Przewlocki, H.M.; Piskorski, K.; Simutis, G.; Dhanak, V.R.; Sedghi, N.; Hall, S.

2012-01-01

This paper presents experimental evidence on effective work function tuning due to the presence of oxygen at the TiNx/LaLuO 3 interface. Two complementary techniques, internal photoemission and X-ray photoelectron spectroscopy, show good agreement on the position of the metal gate Fermi level to conduction (2.79 ± 0.25 eV) and valence (2.65 ± 0.08 eV) band edge for TiNx/bulk LaLuO 3 gate stacks. The chemical shifts of Ti2p and N1s core levels and different degree in ionicity of TiNx metal gates correlate with the observed valence band offset shifts. The results have significance for setting the band edge work function and resulting low threshold voltage for ultimately scaled LaLuO 3 -based p-metal oxide semiconductor field effect transistor devices. - Highlights: ► The conduction band offset measured by internal photoemission. ► The valence band offset (VBO) measured by X-ray photoelectron spectroscopy. ► Different degree in ionicity of TiNx correlates with the VBO shifts. ► The effective work function of the gate stacks varies from 4.6 to 5.2 eV. ► Oxygen at the TiNx/LaLuO 3 interface increases effective work function.

Ternary fission of spontaneously fissile uranium isomers excited by neutrons

International Nuclear Information System (INIS)

Makarenko, V.E.; Molchanov, Y.D.; Otroshchenko, G.A.; Yan'kov, G.B.

1989-01-01

Spontaneously fissile isomers (SFI) of uranium were excited in the reactions 236,238 U(n,n') at an average neutron energy 4.5 MeV. A pulsed electrostatic accelerator and time analysis of the fission events were used. Fission fragments were detected by the scintillation method, and long-range particles from fission were detected by an ionization method. The relative probability of fission of nuclei through a spontaneously fissile isomeric state was measured: (1.30±0.01)·10 -4 ( 236 U) and (1.48±0.02)·10 -4 ( 238 U). Half-lives of the isomers were determined: 121±2 nsec (the SFI 236 U) and 267±13 nsec (the SFI 238 U). In study of the ternary fission of spontaneously fissile isotopes of uranium it was established that the probability of the process amounts to one ternary fission per 163±44 binary fissions of the SFI 236 U and one ternary fission per 49±14 binary fissions of the SFI 238 U. The substantial increase of the probability of ternary fission of SFI of uranium in comparison with the case of ternary fission of nuclei which are not in an isomeric state may be related to a special nucleon configuration of the fissile isomers of uranium

From melamine sponge towards 3D sulfur-doping carbon nitride as metal-free electrocatalysts for oxygen reduction reaction

Science.gov (United States)

Xu, Jingjing; Li, Bin; Li, Songmei; Liu, Jianhua

2017-07-01

Development of new and efficient metal-free electrocatalysts for replacing Pt to improve the sluggish kinetics of oxygen reduction reaction (ORR) is of great importance to emerging renewable energy technologies such as metal-air batteries and polymer electrolyte fuel cells. Herein, 3D sulfur-doping carbon nitride (S-CN) as a novel metal-free ORR electrocatalyst was synthesized by exploiting commercial melamine sponge as raw material. The sulfur atoms were doping on CN networks uniformly through numerous S-C bonds which can provide additional active sites. And it was found that the S-CN exhibited high catalytic activity for ORR in term of more positive onset potential, higher electron transfer number and higher cathodic density. This work provides a novel choice of metal-free ORR electrocatalysts and highlights the importance of sulfur-doping CN in metal-free ORR electrocatalysts.

Internal oxidation of laminated ternary Ru–Ta–Zr coatings

Energy Technology Data Exchange (ETDEWEB)

Chen, Yung-I, E-mail: yichen@mail.ntou.edu.tw; Lu, Tso-Shen

2015-10-30

Highlights: • Internal oxidation was observed in annealed and laminated Ru–Ta–Zr coatings. • The oxidized Ru–Ta–Zr coatings comprised three alternately stacked sublayers. • Correlated variations of O{sup 2-} and Zr{sup 4+} binding energies were verified in XPS spectra. - Abstract: Researchers have observed the internal oxidation phenomenon in binary alloy coatings when developing refractory alloy coatings for protective purposes by conducting annealing at high temperatures and in oxygen-containing atmospheres. The coatings were assembled using cyclical gradient concentration deposition during cosputtering by employing a substrate holder rotating at a slow speed. The internally oxidized zone demonstrated a laminated structure, comprising alternating oxygen-rich and oxygen-deficient layers stacked in a general orientation. In the current study, Ru–Ta–Zr coatings were prepared with various stacking sequences during cosputtering. The Ru–Ta–Zr coatings were annealed at 600 °C in an atmosphere continuously purged with 1% O{sub 2}–99% Ar mixed gas for 30 min. A transmission electron microscope was used to examine the periods of the laminated layers and crystallinity of the annealed coatings. Depth profiles produced using an Auger electron spectroscope and X-ray photoelectron spectroscope were used to certify the periodic variation of the related constituents and chemical states of the elements, respectively. The results indicate that the internally oxidized ternary coatings are stacked of Ru-, Ta{sub 2}O{sub 5}-, and ZrO{sub 2}-dominant sublayers and that the stacking sequences of the sublayers affect the crystalline structure of the coatings. Zr is oxidized preferentially in the Ru–Ta–Zr coatings, increasing the surface hardness of the oxidized coatings.

Stability Constants of Mixed Ligand Complexes of Transition Metal(II Ions with Salicylidene-4-methoxyaniline as Primary Ligand and 5-Bromosalicylidene-4-nitroaniline as Secondary Ligand

Directory of Open Access Journals (Sweden)

N. G. Nadkarni

2011-01-01

Full Text Available Binary and ternary complexes of the type M-Y and M-X-Y [M = Mn(II, Ni(II, Cu(II and Zn(II; X = salicylidene-4-methoxyaniline and Y=5-bromosalicylidene-4-nitroaniline] have been examined pH-metrically at 27±0.5 °C and at constant ionic strength, μ= 0.1 M (KCl in 75 : 25(v/v 1,4-dioxne-water medium. The stability constants for binary (M-Y and ternary (M-X-Y systems were calculated. The relative stability (Δ log KT values of the ternary complexes with corresponding binary complexes for all the metal(II ions in the present study found to be negative indicating that ternary 1:1:1 (M-X-Y complexes are less stable than binary 1:1 (M-Y complexes. In the ternary system studied, the order of stability constants of mixed ligand complexes with respect to the metal ions was found to be Cu(II > NI(II > Mn(II > Zn(II; which is same as in the corresponding binary (M-Y systems.

Constitutional studies of the molybdenum-ruthenium-palladium ternary system

International Nuclear Information System (INIS)

Cornish, L.A.; Pratt, J.N.

1997-01-01

An experimental and computational study has been made of phase equilibria in the Mo-Ru-Pd ternary system. The constitution of annealed binary and ternary alloys was investigated using optical and electron microscopy, X-ray diffraction and SEM phase analysis techniques. Limited thermodynamic measurements were made using the ZrO 2 solid electrolyte e.m.f. method. The data obtained from the various techniques were used to construct a ternary isothermal section at 1473 K. The experimentally determined section is compared with a calculated section for the same temperature, computed using thermodynamic coefficients derived solely from binary system information. Lattice parameters are reported for the b.c.c., f.c.c. and c.p.h. solid solutions and for the σ phase. (orig.)

Model for competitive binary and ternary ion-molecule reactions

International Nuclear Information System (INIS)

Herbst, E.

1985-01-01

A mechanism by which competitive binary and ternary ion-molecule reactions can occur is proposed. Calculations are undertaken for the specific system CH3(+) + NH3 + He which has been studied in the laboratory by Smith and Adams (1978), and the potential surface of which has been studied theoretically by Nobes and Radom (1983). It is shown that a potential-energy barrier in the exit channel prevents the rapid dissociation of collision complexes with large amounts of angular momentum and thereby allows collisional stabilization of the complexes. The calculated ternary-reaction rate coefficient is in good agreement with the experimental value, but a plot of the effective two-body rate coefficient of the ternary channel vs helium density does not quite show the observed saturation. 21 references

Formation and characterization of zein-propylene glycol alginate-surfactant ternary complexes: Effect of surfactant type.

Science.gov (United States)

Dai, Lei; Sun, Cuixia; Wei, Yang; Zhan, Xinyu; Mao, Like; Gao, Yanxiang

2018-08-30

In this study, zein, propylene glycol alginate (PGA) and surfactant ternary complexes were fabricated by antisolvent co-precipitation method. Two types of surfactants (rhamnolipid and lecithin) were applied to generate zein-PGA-rhamnolipid (Z-P-R) and zein-PGA-lecithin (Z-P-L) ternary complexes, respectively. Results showed that the surfactant types significantly affected the properties of ternary complexes. The formation of ternary complexes was mainly due to the non-covalent interactions such as hydrogen bonding, electrostatic interaction and hydrophobic interactions among zein, PGA and surfactants. Moreover, the thermal stability of ternary complexes was enhanced with increasing the levels of both surfactants. Notably, ternary complex dispersions exhibited better stability against pH from 2 to 8. Furthermore, a compact network structure was observed in Z-P-R ternary complex, while Z-P-L ternary complex remained the spherical structure. These findings would provide new insights into the development of novel delivery system and expand the options, when zein-based complexes were utilized under different environment conditions. Copyright © 2018 Elsevier Ltd. All rights reserved.

He and Be ternary spontaneous fission of sup 2 sup 5 sup 2 Cf

CERN Document Server

Hwang, J K; Ramayya, A V; Hamilton, J H

2002-01-01

Ternary and binary fission studies of sup 2 sup 5 sup 2 Cf have been carried out by using the Gammasphere detector array with light charged particle (LCD) detectors. The relative sup 4 He and sup 5 He ternary fission yields were determined. The kinetic energies of the sup 5 He and sup 4 He ternary particles were found to be approximately 11 and 16 MeV, respectively. The sup 5 He particles contribute 10-20 % to the total observed alpha ternary yield. The data indicate that in nuclei with octupole deformations the population for the negative parity bands might be enhanced in the alpha ternary fission. >From LCP-gamma double gated spectra, neutron multiplicity distributions for alpha ternary fission pairs were measured. The average neutron multiplicity decreases about 0.7 AMU in going from the binary to alpha ternary fission in the approximately same mass splittings (104-146). From the analysis of the gamma-gamma matrix gated on the sup 1 sup 0 Be particles, the two fragment pairs of sup 1 sup 3 sup 8 Xe - sup 1...

Tricolore. A flexible color scale for ternary compositions

DEFF Research Database (Denmark)

2018-01-01

tricolore is an R library providing a flexible color scale for the visualization of three-part/ternary compositions. Its main functionality is to color-code any ternary composition as a mixture of three primary colours and to draw a suitable color-key. tricolore flexibly adapts to different...... visualisation challenges via - discrete and continuous color support - support for unbalanced compositional data via centering - support for data with very narrow range via scaling - hue, chroma and lightness options...

Superconductivity in Ternary Rare-Earth Transition Metal Silicides and Germanides with the SCANDIUM(5) COBALT(4) SILICON(10)-TYPE Structure.

Science.gov (United States)

Berg, Linda Sue

A systematic study of the superconducting and normal state properties of some ternary rare earth transition metal silicides and germanides of the Sc(,5)Co(,4)Si(,10) -type is reported in this work. Low temperature heat capacity measurements indicate the presence of a complicated phonon density of states in these structurally complex compounds. A better description of the phonon spectrum of the high T(,c) materials, Sc(,5)Rh(,4)Si(,10), Sc(,5)Ir(,4)Si(,10), and Y(,5)Os(,4)Ge(,10), given by a model proposed by Junod et al.('1), is presented and discussed. The large values of (DELTA)C/(gamma)(,n)T(,c) and the electron-phonon coupling constant for these high T(,c) compounds indicate that they are strong-coupled superconductors. Relative to other ternary superconductors, many of these materials have large Debye temperatures. The BSC theory does not seem to afford an adequate description of the supercon- ducting state in these compounds. DC electrical resistivity measurements on these compounds show resistivity behaviors deviating from those exhibited by simple metals. The (rho)(T) data for Y(,5)Ir(,4)Si(,10), Lu(,5)Rh(,4)Si(,10), Lu(,5)Ir(,4)Si(,10), and Y(,5)Os(,4)Ge(,10), indicate the presence of anomalies. Static molar magnetic susceptibility measurements performed on these compounds indicate (1) a small effective magnetic moment of 0.26(mu)(,B) on the Co atom and (2) anomalous behaviors in the Lu(,5)Rh(,4)Si(,10), Lu(,5)Ir(,4)Si(,10), Y(,5)Ir(,4)Si(,10), Lu(,5)Ir(,4)Ge(,10), and Y(,5)Rh(,4)Ge(,10) data. It is suggested that the same mechanism, namely, the forma- tion of a charge- or spin-density wave, is causing the anomalous behaviors in both the resistivity and susceptibility data. Lastly, upper critical magnetic field measurements were performed on Sc(,5)Co(,4)Si(,10), Sc(,5)Rh(,4)Si(,10), Sc(,5)Ir(,4)Si(,10), Lu(,5)Rh(,4)Si(,10), Lu(,5)Ir(,4)Si(,10), and Y(,5)Os(,4)Ge(,10). Relative to the other five samples, Y(,5)Os(,4)Ge(,10) exhibits very high values for (-d

Calculated site substitution in ternary gamma'-Ni3Al: Temperature and composition effects

DEFF Research Database (Denmark)

Ruban, Andrei; Skriver, Hans Lomholt

1997-01-01

-tin orbitals method in conjunction with the local-density and multisublattice coherent-potential approximations and include all 3d, 4d, 5d, and noble metals. The calculations show the existence of simple trends in the alloying behavior of the gamma' phase which may be explained in a Friedel-like model based...... on the interaction between Ni and the added species. It is shown that the commonly accepted interpretation of the site substitution behavior of Cu and Pd may be incorrect because of site substitution reversal at high temperatures. It is further shown that the direction of the solubility lobe in the ternary phase...

Corrosion phenomena in sodium-potassium coolant resulting from solute interaction in multicomponent solution

Science.gov (United States)

Krasin, V. P.; Soyustova, S. I.

2018-03-01

The solubility of Fe, Cr, Ni, V, Mn and Mo in sodium-potassium melt has been calculated using the mathematical framework of pseudo-regular solution model. The calculation results are compared with available published experimental data on mass transfer of components of austenitic stainless steel in sodium-potassium loop under non-isothermal conditions. It is shown that the parameters of pair interaction of oxygen with transition metal can be used to predict the corrosion behavior of structural materials in sodium-potassium melt in the presence of oxygen impurity. The results of calculation of threshold concentration of oxygen of ternary oxide formation of sodium with transitional metals (Fe, Cr, Ni, V, Mn, Mo) are given in conditions when pure solid metal comes in contact with sodium-potassium melt.

Twelve Girls＇ Band＇ A Modern Miracle of Traditional Music

Institute of Scientific and Technical Information of China (English)

YaoZhanxiong

2004-01-01

Twelve antique traditional instruments. Twelve spirited, pretty girls. "Twelve Girls' Band" is a traditional instrument orchestra playing well-known folk music in the form of pop. Besides age-old traditional instruments peculiar to China, such as zheng (ancient 21 to 25-stringed plucked instrument), qin (seven-stringed plucked instrument) and erhu (two-stringed Chinese fiddle),

Calculation of ternary interdiffusion coefficients using a single diffusion couple

Czech Academy of Sciences Publication Activity Database

Čermák, Jiří; Rothová, Věra

2016-01-01

Roč. 54, č. 5 (2016), s. 305-314 ISSN 0023-432X R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68081723 Keywords : diffusion * interdiffusion * ternary alloys * ternary diffusion coefficients Subject RIV: BJ - Thermodynamics Impact factor: 0.366, year: 2016

Crystallization, data collection and processing of the chymotrypsin–BTCI–trypsin ternary complex

Energy Technology Data Exchange (ETDEWEB)

Esteves, Gisele Ferreira; Teles, Rozeni Chagas Lima; Cavalcante, Nayara Silva; Neves, David; Ventura, Manuel Mateus [Laboratório de Biofísica, Instituto de Ciências Biológicas, Universidade de Brasília, 70910-900 Brasília-DF (Brazil); Barbosa, João Alexandre Ribeiro Gonçalves, E-mail: joao@lnls.br [Center for Structural Molecular Biology (CeBiME), Brazilian Synchrotron Light Laboratory (LNLS), CP 6192, 13083-970 Campinas-SP (Brazil); Freitas, Sonia Maria de, E-mail: joao@lnls.br [Laboratório de Biofísica, Instituto de Ciências Biológicas, Universidade de Brasília, 70910-900 Brasília-DF (Brazil)

2007-12-01

A ternary complex of the proteinase inhibitor (BTCI) with trypsin and chymotrypsin was crystallized and its crystal structure was solved by molecular replacement. A ternary complex of the black-eyed pea trypsin and chymotrypsin inhibitor (BTCI) with trypsin and chymotrypsin was crystallized by the sitting-drop vapour-diffusion method with 0.1 M HEPES pH 7.5, 10%(w/v) polyethylene glycol 6000 and 5%(v/v) 2-methyl-2,4-pentanediol as precipitant. BTCI is a small protein with 83 amino-acid residues isolated from Vigna unguiculata seeds and is able to inhibit trypsin and chymotrypsin simultaneously by forming a stable ternary complex. X-ray data were collected from a single crystal of the trypsin–BTCI–chymotrypsin ternary complex to 2.7 Å resolution under cryogenic conditions. The structure of the ternary complex was solved by molecular replacement using the crystal structures of the BTCI–trypsin binary complex (PDB code) and chymotrypsin (PDB code) as search models.

Crystallization, data collection and processing of the chymotrypsin–BTCI–trypsin ternary complex

International Nuclear Information System (INIS)

Esteves, Gisele Ferreira; Teles, Rozeni Chagas Lima; Cavalcante, Nayara Silva; Neves, David; Ventura, Manuel Mateus; Barbosa, João Alexandre Ribeiro Gonçalves; Freitas, Sonia Maria de

2007-01-01

A ternary complex of the proteinase inhibitor (BTCI) with trypsin and chymotrypsin was crystallized and its crystal structure was solved by molecular replacement. A ternary complex of the black-eyed pea trypsin and chymotrypsin inhibitor (BTCI) with trypsin and chymotrypsin was crystallized by the sitting-drop vapour-diffusion method with 0.1 M HEPES pH 7.5, 10%(w/v) polyethylene glycol 6000 and 5%(v/v) 2-methyl-2,4-pentanediol as precipitant. BTCI is a small protein with 83 amino-acid residues isolated from Vigna unguiculata seeds and is able to inhibit trypsin and chymotrypsin simultaneously by forming a stable ternary complex. X-ray data were collected from a single crystal of the trypsin–BTCI–chymotrypsin ternary complex to 2.7 Å resolution under cryogenic conditions. The structure of the ternary complex was solved by molecular replacement using the crystal structures of the BTCI–trypsin binary complex (PDB code) and chymotrypsin (PDB code) as search models

Plasma-chemical production of metal-polypyrrole-catalysts for the reduction of oxygen in fuel cells. Precious-metal-free catalysts for fuel cells.; Plasmachemische Erzeugung von Metall-Polypyrrol-Katalysatoren fuer die Sauerstoffreduktion in Brennstoffzellen. Edelmetallfreie Katalysatoren fuer Brennstoffzellen

Energy Technology Data Exchange (ETDEWEB)

Walter, Christian

2013-07-01

This thesis is about the production of non noble metal catalysts for the oxygen reduction reaction in fuel cells. Therefore, a novel dual plasma process is developed, constructed and the so-produced films are analysed by various electrochemical (CV, RDE and RRDE) and structural methods (SEM, EDX, IR, XPS, conductivity, XRD, NEXAFS, EXAFS and TEM). It is shown, that by doing this, non noble metal catalysts could be produced without the need of a high temperature treatment. Furthermore, the catalytic activity obtained is superior to that of chemically produced metal-polypyrrole films.

Photoreactivity of Metal-Organic Frameworks in Aqueous Solutions: Metal Dependence of Reactive Oxygen Species Production.

Science.gov (United States)

Liu, Kai; Gao, Yanxin; Liu, Jing; Wen, Yifan; Zhao, Yingcan; Zhang, Kunyang; Yu, Gang

2016-04-05

Promising applications of metal-organic frameworks (MOFs) in various fields have raised concern over their environmental fate and safety upon inevitable discharge into aqueous environments. Currently, no information regarding the transformation processes of MOFs is available. Due to the presence of repetitive π-bond structure and semiconductive property, photochemical transformations are an important fate process that affects the performance of MOFs in practical applications. In the current study, the generation of reactive oxygen species (ROS) in isoreticular MIL-53s was studied. Scavengers were employed to probe the production of (1)O2, O2(•-), and •OH, respectively. In general, MIL-53(Cr) and MIL-53(Fe) are dominated by type I and II photosensitization reactions, respectively, and MIL-53(Al) appears to be less photoreactive. The generation of ROS in MIL-53(Fe) may be underestimated due to dismutation. Further investigation of MIL-53(Fe) encapsulated diclofenac transformation revealed that diclofenac can be easily transformed by MIL-53(Fe) generated ROS. However, the cytotoxicity results implied that the ROS generated from MIL-53s have little effect on the viability of the human hepatocyte (HepG2) cell line. These results suggest that the photogeneration of ROS by MOFs may be metal-node dependent, and the application of MIL-53s as drug carriers needs to be carefully considered due to their high photoreactivity.

Prediction of superconducting ternary hydride MgGeH6: from divergent high-pressure formation routes.

Science.gov (United States)

Ma, Yanbin; Duan, Defang; Shao, Ziji; Li, Da; Wang, Liyuan; Yu, Hongyu; Tian, Fubo; Xie, Hui; Liu, Bingbing; Cui, Tian

2017-10-18

Invigorated by the high temperature superconductivity in some binary hydrogen-dominated compounds, we systematically explored high-pressure phase diagrams and superconductivity of a ternary Mg-Ge-H system using ab initio methods. Stoichiometric MgGeH 6 with high hydrogen content exhibiting Pm3[combining macron] symmetry was predicted from a series of high-pressure synthesis paths. We performed an in-depth study on three distinct formation routes to MgGeH 6 , i.e., Mg + Ge + 3H 2 → MgGeH 6 , MgGe + 3H 2 → MgGeH 6 and MgH 2 + GeH 4 → MgGeH 6 at high pressures. By directly squeezing three elemental solids Mg + Ge + 3H 2 , we obtained ternary MgGeH 6 at 200 GPa. By adding a little bit of the MgGe alloy into hydrogen, we found that MgGeH 6 can form and stabilize at about 200 GPa. More intriguingly, upon compressing MgH 2 and GeH 4 to 250 GPa, we also predicted the same MgGeH 6 . Electron structure calculations reveal that the cubic MgGeH 6 is a good metal and takes on ionic character. Electron-phonon coupling calculation reveals a large λ = 1.16 for MgGeH 6 at 200 GPa. In particular, we found that ternary MgGeH 6 could be a potential high temperature superconductor with a superconducting transition temperature T c of ∼67 K at 200 GPa.

Analytical determination of distillation boundaries for ternary azeotropic systems

OpenAIRE

Marcilla Gomis, Antonio; Reyes Labarta, Juan Antonio; Velasco, Raúl; Serrano Cayuelas, María Dolores; Olaya López, María del Mar

2009-01-01

A new straight forward algorithm to calculate distillation boundaries in ternary azeotropic systems has been developed. The proposed method allows, using cubic splines, the calculation of distillation trajectories and the calculation of that corresponding to the searched distillation boundaries. The algorithm is applied to 4 ternary liquid-vapour systems to test its validity. Vicepresidency of Research (University of Alicante) and Generalitat Valenciana (GV/2007/125)

Effect on strength of ternary alloying additions in L12 intermetallics

International Nuclear Information System (INIS)

Wu Yuanpang.

1991-01-01

The thermodynamic properties of {111} antiphase boundaries (APBs) as well as the site preference of ternary additions in an A 3 B intermetallic with L1 2 structure are studied, using a thermodynamic model. A survey of the results from a variety of ternary alloying additions to Ni 3 Al has shown that there is a conflict in the actual role which solid solution strengthening plays in the athermal increment of yield strength. For instance, a good quantitative agreement with linear concentration law is observed only in alloys with stoichiometric compositions but not in the general case of non-stoichiometric alloys. In the light of the possibility that micro-segregation could explain the experimental discrepancy, the author extends the binary solid solution strengthening theory to the ternary system in an L1 2 structure for the four real systems of Ni-Al-Si, Ni-Al-Ti, Ni-Al-Hf, and Ni-Al-V. It is found that ternary site preference plays an important role in the ternary solid solution strengthening theory with L1 2 structure. Good quantitative agreement was found between the calculated and experimentally measured strength for both stoichiometric and nonstoichiometric alloys

High performance gas adsorption and separation of natural gas in two microporous metal-organic frameworks with ternary building units.

Science.gov (United States)

Wang, Dongmei; Zhao, Tingting; Cao, Yu; Yao, Shuo; Li, Guanghua; Huo, Qisheng; Liu, Yunling

2014-08-14

Two novel MMOFs, JLU-Liu5 and JLU-Liu6, are based on ternary building units and exhibit high adsorption selectivity for CO2, C2H6 and C3H8 over CH4, which is attributed to steric effects and host-guest interactions. These MMOFs are promising materials for gas adsorption and natural gas purification.

Solubility of metallic elements in LBE under extra low oxygen potential. JFY2001 joint research report

International Nuclear Information System (INIS)

Sano, Hiroyuki; Fujisawa, Toshiharu

2002-03-01

Lead-Bismuth eutectic alloy (LBE) has been considered as a prospective coolant for a fast-breeder reactor. However a corrosion of cooling pipe is anticipated when it is used at the similar temperature as sodium coolant. In this study, solubility of major metallic elements in LBE is to be measured under extra low oxygen potential. The interactive effect of those elements on the solubility is also to be examined. As a first step, measurements of the solubility of iron in LBE at 673 K were conducted where the partial pressure of oxygen was controlled by using equilibrium between iron and its oxide. Several experimental runs were conducted. But relationship between iron content and oxygen content in LBE could not be defined precisely, because chemical reactions proceeded very slowly at such a low temperature and reliable enough data have not been obtained yet until now. Based on the above results, following subjects were extracted for JFY2002 study. (1) To establish the method of quantitative analysis of oxygen content in LBE. (2) To obtain the solubility data at elevated temperature, then approach to lower temperature. (3) To control the oxygen partial pressure in LBE by CO-CO 2 mixed gases supply. (author)

A New Class of Ternary Compound for Lithium-Ion Battery: from Composite to Solid Solution.

Science.gov (United States)

Wang, Jiali; Wu, Hailong; Cui, Yanhua; Liu, Shengzhou; Tian, Xiaoqing; Cui, Yixiu; Liu, Xiaojiang; Yang, Yin

2018-02-14

Searching for high-performance cathode materials is a crucial task to develop advanced lithium-ion batteries (LIBs) with high-energy densities for electrical vehicles (EVs). As a promising lithium-rich material, Li 2 MnO 3 delivers high capacity over 200 mAh g -1 but suffers from poor structural stability and electronic conductivity. Replacing Mn 4+ ions by relatively larger Sn 4+ ions is regarded as a possible strategy to improve structural stability and thus cycling performance of Li 2 MnO 3 material. However, large difference in ionic radii of Mn 4+ and Sn 4+ ions leads to phase separation of Li 2 MnO 3 and Li 2 SnO 3 during high-temperature synthesis. To prepare solid-solution phase of Li 2 MnO 3 -Li 2 SnO 3 , a buffer agent of Ru 4+ , whose ionic radius is in between that of Mn 4+ and Sn 4+ ions, is introduced to assist the formation of a single solid-solution phase. The results show that the Li 2 RuO 3 -Li 2 MnO 3 -Li 2 SnO 3 ternary system evolves from mixed composite phases into a single solid-solution phase with increasing Ru content. Meanwhile, discharge capacity of this ternary system shows significantly increase at the transformation point which is ascribed to the improvement of Li + /e - transportation kinetics and anionic redox chemistry for solid-solution phase. The role of Mn/Sn molar ratio of Li 2 RuO 3 -Li 2 MnO 3 -Li 2 SnO 3 ternary system has also been studied. It is revealed that higher Sn content benefits cycling stability of the system because Sn 4+ ions with larger sizes could partially block the migration of Mn 4+ and Ru 4+ from transition metal layer to Li layer, thus suppressing structural transformation of the system from layered-to-spinel phase. These findings may enable a new route for exploring ternary or even quaternary lithium-rich cathode materials for LIBs.

Single-step solvothermal synthesis of mesoporous Ag-TiO2-reduced graphene oxide ternary composites with enhanced photocatalytic activity

Science.gov (United States)

Arif Sher Shah, Md. Selim; Zhang, Kan; Park, A. Reum; Kim, Kwang Su; Park, Nam-Gyu; Park, Jong Hyeok; Yoo, Pil J.

2013-05-01

With growing interest in the photocatalytic performance of TiO2-graphene composite systems, the ternary phase of TiO2, graphene, and Ag is expected to exhibit improved photocatalytic characteristics because of the improved recombination rate of photogenerated charge carriers and potential contribution of the generation of localized surface plasmon resonance at Ag sites on a surface of the TiO2-graphene binary matrix. In this work, Ag-TiO2-reduced graphene oxide ternary nanocomposites were successfully synthesized by a simple solvothermal process. In a single-step synthetic procedure, the reduction of AgNO3 and graphene oxide and the hydrolysis of titanium tetraisopropoxide were spontaneously performed in a mixed solvent system of ethylene glycol, N,N-dimethylformamide and a stoichiometric amount of water without resorting to the use of typical reducing agents. The nanocomposites were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, along with different microscopic and spectroscopic techniques, enabling us to confirm the successful reduction of AgNO3 and graphite oxide to metallic Ag and reduced graphene oxide, respectively. Due to the highly facilitated electron transport of well distributed Ag nanoparticles, the synthesized ternary nanocomposite showed enhanced photocatalytic activity for degradation of rhodamine B dye under visible light irradiation.With growing interest in the photocatalytic performance of TiO2-graphene composite systems, the ternary phase of TiO2, graphene, and Ag is expected to exhibit improved photocatalytic characteristics because of the improved recombination rate of photogenerated charge carriers and potential contribution of the generation of localized surface plasmon resonance at Ag sites on a surface of the TiO2-graphene binary matrix. In this work, Ag-TiO2-reduced graphene oxide ternary nanocomposites were successfully synthesized by a simple solvothermal process. In a single-step synthetic procedure, the reduction

The ternary system nickel-nobium-carbon

International Nuclear Information System (INIS)

Stadelmaier, H.H.; Fiedler, M.L.

1975-01-01

The ternary system nickel-niobium-carbon was studied by metallographic and X-ray diffraction methods to produce a liquidus projection and an isothermal section at 1,100 0 C. The liquidus projection is dominated by a wide field of primary NbC that extends far into the nickel corner of the composition triangle. Only one ternary compound is observed in this system, an eta-carbide formed in a peritectoid reaction. It has a narrow homogeneity range at Ni 2 Nb 4 C, and its lattice constant in alloys quenched from 1,100 0 C varies between 11.659 and 11.667 A. No eta-carbide Ni 3 Nb 3 C or Ni 6 Nb 6 could be detected. (orig.) [de

Screening of catalytic oxygen reduction reaction activity of metal-doped graphene by density functional theory

International Nuclear Information System (INIS)

Chen, Xin; Chen, Shuangjing; Wang, Jinyu

2016-01-01

Highlights: • The screened M-G structures are very thermodynamically stable, and the stability is even higher than that of the corresponding bulk metal surfaces. • The binding energies of ORR intermediates suggest that they are not linear dependence, which are different form the cases found on some metal-based catalysts. • The Au-, Co-, and Ag-G structures could be used as the ORR catalysts. - Abstract: Graphene doping is a promising direction for developing effective oxygen reduction reaction (ORR) catalysts. In this paper, we computationally investigated the ORR performance of 10 kinds of metal-doped graphene (M-G) catalysts, namely, Al-, Si-, Mn-, Fe-, Co-, Ni-, Pd-, Ag-, Pt-, and Au-G. The results shown that the binding energies of the metal atoms incorporated into the graphene vacancy are higher than their bulk cohesive energies, indicating the formed M-G catalysts are even more stable than the corresponding bulk metal surfaces, and thus avoid the metals dissolution in the reaction environment. We demonstrated that the linear relation among the binding energies of the ORR intermediates that found on metal-based materials does not hold for the M-G catalysts, therefore a single binding energy of intermediate alone is not sufficient to evaluate the ORR activity of an arbitrary catalyst. By analysis of the detailed ORR processes, we predicted that the Au-, Co-, and Ag-G materials can be used as the ORR catalysts.

Synthesis of a Novel Polyethoxysilsesquiazane and Thermal Conversion into Ternary Silicon Oxynitride Ceramics with Enhanced Thermal Stability.

Science.gov (United States)

Iwase, Yoshiaki; Horie, Yoji; Daiko, Yusuke; Honda, Sawao; Iwamoto, Yuji

2017-12-05

A novel polyethoxysilsesquiazane ([EtOSi(NH) 1.5 ] n , EtOSZ) was synthesized by ammonolysis at -78 °C of ethoxytrichlorosilane (EtOSiCl₃), which was isolated by distillation as a reaction product of SiCl₄ and EtOH. Attenuated total reflection-infra red (ATR-IR), 13 C-, and 29 Si-nuclear magnetic resonance (NMR) spectroscopic analyses of the ammonolysis product resulted in the detection of Si-NH-Si linkage and EtO group. The simultaneous thermogravimetric and mass spectrometry analyses of the EtOSZ under helium revealed cleavage of oxygen-carbon bond of the EtO group to evolve ethylene as a main gaseous species formed in-situ, which lead to the formation at 800 °C of quaternary amorphous Si-C-N with an extremely low carbon content (1.1 wt %) when compared to the theoretical EtOSZ (25.1 wt %). Subsequent heat treatment up to 1400 °C in N₂ lead to the formation of X-ray amorphous ternary Si-O-N. Further heating to 1600 °C in N₂ promoted crystallization and phase partitioning to afford Si₂N₂O nanocrystallites identified by the XRD and TEM analyses. The thermal stability up to 1400 °C of the amorphous state achieved for the ternary Si-O-N was further studied by chemical composition analysis, as well as X-ray photoelectron spectroscopy (XPS) and 29 Si-NMR spectroscopic analyses, and the results were discussed aiming to develop a novel polymeric precursor for ternary amorphous Si-O-N ceramics with an enhanced thermal stability.

Heavy-metal-induced reactive oxygen species: phytotoxicity and physicochemical changes in plants.

Science.gov (United States)

Shahid, Muhammad; Pourrut, Bertrand; Dumat, Camille; Nadeem, Muhammad; Aslam, Muhammad; Pinelli, Eric

2014-01-01

As a result of the industrial revolution, anthropogenic activities have enhanced there distribution of many toxic heavy metals from the earth's crust to different environmental compartments. Environmental pollution by toxic heavy metals is increasing worldwide, and poses a rising threat to both the environment and to human health.Plants are exposed to heavy metals from various sources: mining and refining of ores, fertilizer and pesticide applications, battery chemicals, disposal of solid wastes(including sewage sludge), irrigation with wastewater, vehicular exhaust emissions and adjacent industrial activity.Heavy metals induce various morphological, physiological, and biochemical dysfunctions in plants, either directly or indirectly, and cause various damaging effects. The most frequently documented and earliest consequence of heavy metal toxicity in plants cells is the overproduction of ROS. Unlike redox-active metals such as iron and copper, heavy metals (e.g, Pb, Cd, Ni, AI, Mn and Zn) cannot generate ROS directly by participating in biological redox reactions such as Haber Weiss/Fenton reactions. However, these metals induce ROS generation via different indirect mechanisms, such as stimulating the activity of NADPH oxidases, displacing essential cations from specific binding sites of enzymes and inhibiting enzymatic activities from their affinity for -SH groups on the enzyme.Under normal conditions, ROS play several essential roles in regulating the expression of different genes. Reactive oxygen species control numerous processes like the cell cycle, plant growth, abiotic stress responses, systemic signalling, programmed cell death, pathogen defence and development. Enhanced generation of these species from heavy metal toxicity deteriorates the intrinsic antioxidant defense system of cells, and causes oxidative stress. Cells with oxidative stress display various chemical,biological and physiological toxic symptoms as a result of the interaction between ROS and

Oxygen pressure manipulations on the metal-insulator transition characteristics of highly (011)-oriented vanadium dioxide films grown by magnetron sputtering

International Nuclear Information System (INIS)

Yu Qian; Li Wenwu; Duan Zhihua; Hu Zhigao; Chu Junhao; Liang Jiran; Chen Hongda; Liu Jian

2013-01-01

The metal-insulator transition behaviour of vanadium dioxide (VO 2 ) films grown at different oxygen pressures is investigated. With the aid of temperature-dependent electrical and infrared transmittance experiments, it is found that the transition temperature in the heating process goes up with increasing argon-oxygen ratio, whereas the one in the cooling process shows an inverse variation trend. It is found that the hysteresis width of the phase transition is narrowed at a lower argon-oxygen ratio because the defects introduced by excess oxygen lower the energy requirement of transformation. Furthermore, the defects reduce the forbidden gap of the VO 2 system due to the generation of a V 5+ ion. The present results are valuable for the achievement of VO 2 -based optoelectronic devices.

Sunlight impelled photocatalytic pursuance of Ag-TiO2-SGO and Pt-TiO2-SGO ternary nanocomposites on rhodamine B degradation

Science.gov (United States)

Alamelu, K.; Ali, B. M. Jaffar

2018-04-01

We demonstrate a hydrothermal method combined with polyol reduction process for the synthesis of an Ag-TiO2-SGO and Pt-TiO2-SGO ternary nanocomposites in which the Ag, Pt and TiO2 nanoparticles are dispersed on the Sulfonated graphene oxide nanosheets. The structural and optical properties of obtained nanocomposites were characterized by XRD, UV-DRS, Raman, FTIR and Photoluminescence spectroscopy. The nanocomposites shows increased light absorption ability in the visible region due to surface plasmon resonance effect of noble metal. The rate of electron-hole pair recombination was significating reduced for nanocomposites system compare to pure. Also, their Performance for the photocatalytic degradation of Rhodamine B as a model organic pollutant is explored. The results showed that Ag-TiO2-SGO and Pt-TiO2-SGO nanocomposites could degrade 95% of the dye within 90 min, under natural sunlight irradiation. The reaction kinetics of ternary nanocomposites exhibit more than 2.2 fold increased photocatalytic activity compared to pristine TiO2. Sulfonated graphene based ternary photocatalyst are potential candidates for wastewater treatment in real time application, due to this ability degrade cationic and anionic dyes.

Highly Efficient Electrocatalysts for Oxygen Reduction Reaction Based on 1D Ternary Doped Porous Carbons Derived from Carbon Nanotube Directed Conjugated Microporous Polymers

KAUST Repository

He, Yafei; Gehrig, Dominik; Zhang, Fan; Lu, Chenbao; Zhang, Chao; Cai, Ming; Wang, Yuanyuan; Laquai, Fré dé ric; Zhuang, Xiaodong; Feng, Xinliang

2016-01-01

© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.One-dimensional (1D) porous materials have shown great potential for gas storage and separation, sensing, energy storage, and conversion. However, the controlled approach for preparation of 1D porous materials, especially porous organic materials, still remains a great challenge due to the poor dispersibility and solution processability of the porous materials. Here, carbon nanotube (CNT) templated 1D conjugated microporous polymers (CMPs) are prepared using a layer-by-layer method. As-prepared CMPs possess high specific surface areas of up to 623 m2 g-1 and exhibit strong electronic interactions between p-type CMPs and n-type CNTs. The CMPs are used as precursors to produce heteroatom-doped 1D porous carbons through direct pyrolysis. As-produced ternary heteroatom-doped (B/N/S) 1D porous carbons possess high specific surface areas of up to 750 m2 g-1, hierarchical porous structures, and excellent electrochemical-catalytic performance for oxygen reduction reaction. Both of the diffusion-limited current density (4.4 mA cm-2) and electron transfer number (n = 3.8) for three-layered 1D porous carbons are superior to those for random 1D porous carbon. These results demonstrate that layered and core-shell type 1D CMPs and related heteroatom-doped 1D porous carbons can be rationally designed and controlled prepared for high performance energy-related applications.

Highly Efficient Electrocatalysts for Oxygen Reduction Reaction Based on 1D Ternary Doped Porous Carbons Derived from Carbon Nanotube Directed Conjugated Microporous Polymers

KAUST Repository

He, Yafei

2016-10-11

© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.One-dimensional (1D) porous materials have shown great potential for gas storage and separation, sensing, energy storage, and conversion. However, the controlled approach for preparation of 1D porous materials, especially porous organic materials, still remains a great challenge due to the poor dispersibility and solution processability of the porous materials. Here, carbon nanotube (CNT) templated 1D conjugated microporous polymers (CMPs) are prepared using a layer-by-layer method. As-prepared CMPs possess high specific surface areas of up to 623 m2 g-1 and exhibit strong electronic interactions between p-type CMPs and n-type CNTs. The CMPs are used as precursors to produce heteroatom-doped 1D porous carbons through direct pyrolysis. As-produced ternary heteroatom-doped (B/N/S) 1D porous carbons possess high specific surface areas of up to 750 m2 g-1, hierarchical porous structures, and excellent electrochemical-catalytic performance for oxygen reduction reaction. Both of the diffusion-limited current density (4.4 mA cm-2) and electron transfer number (n = 3.8) for three-layered 1D porous carbons are superior to those for random 1D porous carbon. These results demonstrate that layered and core-shell type 1D CMPs and related heteroatom-doped 1D porous carbons can be rationally designed and controlled prepared for high performance energy-related applications.

A new method to estimate the atomic volume of ternary intermetallic compounds

International Nuclear Information System (INIS)

Pani, M.; Merlo, F.

2011-01-01

The atomic volume of an A x B y C z ternary intermetallic compound can be calculated starting from volumes of some proper A-B, A-C and B-C binary phases. The three methods by Colinet, Muggianu and Kohler, originally used to estimate thermodynamic quantities, and a new method here proposed, were tested to derive volume data in eight systems containing 91 ternary phases with the known structure. The comparison between experimental and calculated volume values shows the best agreement both for the Kohler method and for the new proposed procedure. -- Graphical abstract: Synopsys: the volume of a ternary intermetallic compound can be calculated starting from volumes of some binary phases, selected by the methods of Colinet, Muggianu, Kohler and a new method proposed here. The so obtained values are compared with the experimental ones for eight ternary systems. Display Omitted Research highlights: → The application of some thermodinamic methods to a crystallochemical problem. → The prevision of the average atomic volume of ternary intermetallic phases. → The proposal of a new procedure to select the proper starting set of binary phases.

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

International Nuclear Information System (INIS)

Jiang Chao

2009-01-01

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

Temperature dependence of binary and ternary recombination of H3+ ions with electrons

International Nuclear Information System (INIS)

Glosik, J.; Plasil, R.; Korolov, I.; Kotrik, T.; Novotny, O.; Hlavenka, P.; Dohnal, P.; Varju, J.; Kokoouline, V.; Greene, Chris H.

2009-01-01

We study binary and the recently discovered process of ternary He-assisted recombination of H 3 + ions with electrons in a low-temperature afterglow plasma. The experiments are carried out over a broad range of pressures and temperatures of an afterglow plasma in a helium buffer gas. Binary and He-assisted ternary recombination are observed and the corresponding recombination rate coefficients are extracted for temperatures from 77 to 330 K. We describe the observed ternary recombination as a two-step mechanism: first, a rotationally excited long-lived neutral molecule H 3 * is formed in electron-H 3 + collisions. Second, the H 3 * molecule collides with a helium atom that leads to the formation of a very long-lived Rydberg state with high orbital momentum. We present calculations of the lifetimes of H 3 * and of the ternary recombination rate coefficients for para- and ortho-H 3 + . The calculations show a large difference between the ternary recombination rate coefficients of ortho- and para-H 3 + at temperatures below 300 K. The measured binary and ternary rate coefficients are in reasonable agreement with the calculated values.

Temperature dependence of binary and ternary recombination of H3+ ions with electrons

Science.gov (United States)

Glosík, J.; Plašil, R.; Korolov, I.; Kotrík, T.; Novotný, O.; Hlavenka, P.; Dohnal, P.; Varju, J.; Kokoouline, V.; Greene, Chris H.

2009-05-01

We study binary and the recently discovered process of ternary He-assisted recombination of H3+ ions with electrons in a low-temperature afterglow plasma. The experiments are carried out over a broad range of pressures and temperatures of an afterglow plasma in a helium buffer gas. Binary and He-assisted ternary recombination are observed and the corresponding recombination rate coefficients are extracted for temperatures from 77 to 330 K. We describe the observed ternary recombination as a two-step mechanism: first, a rotationally excited long-lived neutral molecule H3∗ is formed in electron- H3+ collisions. Second, the H3∗ molecule collides with a helium atom that leads to the formation of a very long-lived Rydberg state with high orbital momentum. We present calculations of the lifetimes of H3∗ and of the ternary recombination rate coefficients for para- and ortho- H3+ . The calculations show a large difference between the ternary recombination rate coefficients of ortho- and para- H3+ at temperatures below 300 K. The measured binary and ternary rate coefficients are in reasonable agreement with the calculated values.

Removal of heavy metals from aqueous phases using chemically modified waste Lyocell fiber

Energy Technology Data Exchange (ETDEWEB)

Bediako, John Kwame; Wei, Wei; Kim, Sok; Yun, Yeoung-Sang, E-mail: ysyun@jbnu.ac.kr

2015-12-15

Highlights: • Waste Lyocell fiber was chemically modified into cellulose xanthate. • The sorbent showed high affinity for Pb(II), Cd(II) and Cu(II) ions. • The sorbent also showed strong Cu(II) selectivity in Pb(II)–Cd(II)–Cu(II) ternary metal solutions. - Abstract: In this study, an outstanding performance of chemically modified waste Lyocell for heavy metals treatment is reported. The sorbent, which was prepared by a simple and concise method, was able to bind heavy metals such as Pb(II), Cu(II) and Cd(II), with very high efficiencies. The binding mechanisms were studied through adsorption and standard characterization tests such as scanning electron microscopy, energy-dispersive spectroscopy, Fourier transform infrared spectroscopy, and X-ray diffraction analyses. Adsorption kinetics was very fast and attained equilibrium within 5 min in all metals studied. The maximum single metal uptakes were 531.29 ± 0.28 mg/g, 505.64 ± 0.21 mg/g, and 123.08 ± 0.26 mg/g for Pb(II), Cd(II) and Cu(II), respectively. In ternary metal systems, Cu(II) selectivity was observed and the underlying factors were discussed. The sorbent by its nature, could be very effective in treating large volumes of wastewater with the contact of very little amount.

Mechanistic model of the oxygen reduction catalyzed by a metal-free porphyrin in one- and two-phase liquid systems

Czech Academy of Sciences Publication Activity Database

Trojánek, Antonín; Langmaier, Jan; Záliš, Stanislav; Samec, Zdeněk

2013-01-01

Roč. 110, NOV 2013 (2013), s. 816-821 ISSN 0013-4686 R&D Projects: GA ČR GAP208/11/0697 Institutional support: RVO:61388955 Keywords : oxygen reduction * metal -free porphyrin * catalysis Subject RIV: CG - Electrochemistry Impact factor: 4.086, year: 2013

Ternary Fission of U235 by Resonance Neutrons

International Nuclear Information System (INIS)

Kvitek, I.; Popov, Ju.P.; Rjabov, Ju.V.

1965-01-01

Recently a number of papers have appeared indicating considerable variations in the ratio of the ternary-fission cross-section to the binary-fission cross-section of U 235 on transition from one neutron resonance to another. However, such variations have not been discovered in U 233 and Pu 239 . The paper reports investigations of the ternary fission of U 235 by neutrons with an energy of 0.1 to 30 eV. Unlike other investigators of the ternary fission of U 235 , we identified the ternary-fission event by the coincidence of one of the fission fragments with a light long-range particle. This made it passible to separate ternary fissions from the possible contribution of the (n, α)reaction. The measurements were performed at the fast pulsed reactor of the Joint Institute for Nuclear Research by the time-of-flight method. A flight length of 100 m was used, giving a resolution of 0.6 μs/m. Gas scintillation counters filled with xenon at a pressure of 2 atm were used to record the fission fragments and the light long-range particle. A layer of enriched U 235 ∼2 mg/cm 2 thick and ∼300 cm 2 in area was applied to an aluminium foil 20-fim thick. The scintillations from the fission fragments were recorded in the gas volume on one side of the foil and those from the light long-range particles in that on the other. In order to assess the background (e.g . coincidences of the pulse from a fragment with that from a fission gamma quantum or a proton from the (n, p) reaction in the aluminium foil), a measurement was carried out in which the volume recording the long-range particle was shielded with a supplementary aluminium filter 1-mm thick. The results obtained indicate the absence of the considerable variations in the ratio between the ternary-and binary- fission cross-sections for U 235 that have been noted by other authors. Measurements showed no irregularity in the ratio of the cross-sections in the energy range 0.1 to 0.2 eV. The paper discusses the possible effect of

Transition metal carbide nanocomposite and amorphous thin films

OpenAIRE

Tengstrand, Olof

2014-01-01

This thesis explores thin films of binary and ternary transition metal carbides, in the Nb-C, Ti-Si-C, Nb-Si-C, Zr-Si-C, and Nb-Ge-C systems. The electrical and mechanical properties of these systems are affected by their structure and here both nanocomposite and amorphous thin films are thus investigated. By appropriate choice of transition metal and composition the films can be designed to be multifunctional with a combination of properties, such as low electric resistivity, low contact res...

Metal Ion Controlled Polymorphism of a Peptide

DEFF Research Database (Denmark)

Hemmingsen, Lars Bo Stegeager; Jancso, Attila; Szunyogh, Daniel

2011-01-01

ions on fully or partially unstructured proteins, or the effect of metal ions on protein aggregation. Metal ions may be employed to fold (or misfold) individual peptides in a controlled manner depending on the potential metal ion coordinating amino acid side chains (Cys, His, Asp, Glu......In this work a metal ion binding model dodecapeptide was investigated in terms of its capacity to adopt different structures depending on the metal ion to peptide stoichiometry. The dodecapeptide is much simpler than real proteins, yet displays sufficient complexity to model the effect of metal......, …) in the peptide, and the ligand and structural preferences of the metal ion (in our studies Zn2+, Cd2+, Hg2+, Cu+/2+). Simultaneously, new species such as metal ion bridged ternary complexes or even oligomers may be formed. In recent previous studies we have observed similar polymorphism of zinc finger model...

New ternary hydride formation in U-Ti-H system

International Nuclear Information System (INIS)

Yamamoto, Takuya; Kayano, Hideo; Yamawaki, Michio.

1991-01-01

Hydrogen absorption properties of two titanium-rich uranium alloys, UTi 2 and UTi 4 , were studied in order to prepare and identify the recently found ternary hydride. They slowly reacted with hydrogen of the initial pressure of 10 5 Pa at 873K to form the ternary hydride. The hydrogenated specimen mainly consisted of the pursued ternary hydride but contained also U(or UO 2 ), TiH x , and some transient phases. X-ray powder diffraction and Electron Probe Micro Analysis proved that it was the UTi 2 H x with the expected MgCu 2 structure, though all the X-ray peaks were broad probably because of inhomogeneity. This compound had extremely high resistance to powdering on its formation, which showed high potential utilities for a non-powdering tritium storage system or for other purposes. (author)

Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

International Nuclear Information System (INIS)

Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias; Stocks, Malcolm; Caro, Alfredo

2015-01-01

The aim of this study is to characterize some atomic-scale properties of Ni-based FCC multicomponent alloys. For this purpose, we use Monte Carlo method combined with density functional theory calculations to study short-range order (SRO), atomic displacements, electronic density of states, and magnetic moments in equimolar ternary NiCrCo, and quaternary NiCrCoFe alloys. According to our study, the salient features for the ternary alloy are a negative SRO parameter between Ni–Cr and a positive between Cr–Cr pairs as well as a weakly magnetic state. For the quaternary alloy we predict negative SRO parameter for Ni–Cr and Ni–Fe pairs and positive for Cr–Cr and Fe–Fe pairs. Atomic displacements for both ternary and quaternary alloys are negligible. In contrast to the ternary, the quaternary alloy shows a complex magnetic structure. The electronic structure of the ternary and quaternary alloys shows differences near the Fermi energy between a random solid solution and the predicted structure with SRO. Despite that, the calculated EXAFS spectra does not show enough contrast to discriminate between random and ordered structures. The predicted SRO has an impact on point-defect energetics, electron–phonon coupling and thermodynamic functions and thus, SRO should not be neglected when studying properties of these two alloys

Effect of electric arc, gas oxygen torch and induction melting techniques on the marginal accuracy of cast base-metal and noble metal-ceramic crowns.

Science.gov (United States)

Gómez-Cogolludo, Pablo; Castillo-Oyagüe, Raquel; Lynch, Christopher D; Suárez-García, María-Jesús

2013-09-01

The aim of this study was to identify the most appropriate alloy composition and melting technique by evaluating the marginal accuracy of cast metal-ceramic crowns. Seventy standardised stainless-steel abutments were prepared to receive metal-ceramic crowns and were randomly divided into four alloy groups: Group 1: palladium-gold (Pd-Au), Group 2: nickel-chromium-titanium (Ni-Cr-Ti), Group 3: nickel-chromium (Ni-Cr) and Group 4: titanium (Ti). Groups 1, 2 and 3 were in turn subdivided to be melted and cast using: (a) gas oxygen torch and centrifugal casting machine (TC) or (b) induction and centrifugal casting machine (IC). Group 4 was melted and cast using electric arc and vacuum/pressure machine (EV). All of the metal-ceramic crowns were luted with glass-ionomer cement. The marginal fit was measured under an optical microscope before and after cementation using image analysis software. All data was subjected to two-way analysis of variance (ANOVA). Duncan's multiple range test was run for post-hoc comparisons. The Student's t-test was used to investigate the influence of cementation (α=0.05). Uncemented Pd-Au/TC samples achieved the best marginal adaptation, while the worst fit corresponded to the luted Ti/EV crowns. Pd-Au/TC, Ni-Cr and Ti restorations demonstrated significantly increased misfit after cementation. The Ni-Cr-Ti alloy was the most predictable in terms of differences in misfit when either torch or induction was applied before or after cementation. Cemented titanium crowns exceeded the clinically acceptable limit of 120μm. The combination of alloy composition, melting technique, casting method and luting process influences the vertical seal of cast metal-ceramic crowns. An accurate use of the gas oxygen torch may overcome the results attained with the induction system concerning the marginal adaptation of fixed dental prostheses. Copyright © 2013 Elsevier Ltd. All rights reserved.

Studies on structural and magnetic properties of ternary cobalt magnesium zinc (CMZ) Co{sub 0.6-x}Mg{sub x}Zn{sub 0.4} Fe{sub 2}O{sub 4} (x = 0.0, 0.2, 0.4, 0.6) ferrite nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Kaur, Manpreet, E-mail: manpreetchem@pau.edu; Jain, Palak; Singh, Mandeep

2015-07-15

In this paper we report the variation in structural and magnetic properties of ternary ferrite nanoparticles (NPs) having stoichiometery Co{sub 0.6-x}Mg{sub x}Zn{sub 0.4} Fe{sub 2}O{sub 4} (x = 0.0, 0.2, 0.4, 0.6) and pure spinel ferrites MFe{sub 2}O{sub 4} (M = Mg, Co). NPs with average particle diameter of 25–45 nm were synthesized employing self-propagating oxalyl dihydrazide - metal nitrate combustion method. The products were characterized using X-ray diffraction (XRD), Vibrating sample magnetometer (VSM), Transmission electron microscopy (TEM) and FT-IR spectroscopy. FT-IR spectral analysis revealed two bands centered at 560 and 440 cm{sup −1} for tetrahedral and octahedral metal–oxygen bond stretching. Zinc doping caused red shift in the frequency band of tetrahedral M−O stretching. XRD powder diffraction patterns confirmed the formation of spinel ferrite nanoparticles, expansion of the lattice on zinc doping and enhancement of spinel phase purity in the doped ferrites. Cobalt ferrite displayed lowering of the magnetic parameters on zinc doping which further decreased in ternary ferrites Co{sub 0.6-x}Mg{sub x}Zn{sub 0.4}Fe{sub 2}O{sub 4} on replacing cobalt ions with non-magnetic magnesium ions up to x = 0.4. At x = 0.6 reverse trend was observed and Ms was enhanced. Magnesium zinc ferrite Mg{sub 0.6}Zn{sub 0.4} Fe{sub 2}O{sub 4} with high value of Ms was obtained. Combustion process employed in the present studies serves as a low temperature facile route for the synthesis and structural analysis of ternary doped ferrite nanoparticles. - Highlights: • Ternary doped cobalt magnesium zinc ferrite nanoparticles are synthesized. • FT-IR displayed red shift in tetrahedral stretching band on Zinc doping. • Expansion of lattice and enhancement of spinel phase purity on zinc doping. • The variation in saturation magnetization (Ms) on doping is explained.

Oxygen Compatibility of Brass-Filled PTFE Compared to Commonly Used Fluorinated Polymers for Oxygen Systems

Science.gov (United States)

Herald, Stephen D.; Frisby, Paul M.; Davis, Samuel Eddie

2009-01-01

Safe and reliable seal materials for high-pressure oxygen systems sometimes appear to be extinct species when sought out by oxygen systems designers. Materials that seal well are easy to find, but these materials are typically incompatible with oxygen, especially in cryogenic liquid form. This incompatibility can result in seals that leak, or much worse, seals that easily ignite and burn during use. Materials that are compatible with oxygen are easy to find, such as the long list of compatible metals, but these metallic materials are limiting as seal materials. A material that seals well and is oxygen compatible has been the big game in the designer's safari. Scientists at the Materials Combustion Research Facility (MCRF), part of NASA/Marshall Space Flight Center (MSFC), are constantly searching for better materials and processes to improve the safety of oxygen systems. One focus of this effort is improving the characteristics of polymers used in the presence of an oxygen enriched environment. Very few systems can be built which contain no polymeric materials; therefore, materials which have good impact resistance, low heat of combustion, high auto-ignition temperature and that maintain good mechanical properties are essential. The scientists and engineers at the Materials Combustion Research Facility, in cooperation with seal suppliers, are currently testing a new formulation of polytetrafluoroethylene (PTFE) with Brass filler. This Brass-filled PTFE is showing great promise as a seal and seat material for high pressure oxygen systems. Early research has demonstrated very encouraging results, which could rank this material as one of the best fluorinated polymers ever tested. This paper will compare the data obtained for Brass-filled PTFE with other fluorinated polymers, such as TFE-Teflon (PTFE) , Kel-F 81, Viton A, Viton A-500, Fluorel , and Algoflon . A similar metal filled fluorinated polymer, Salox-M , was tested in comparison to Brass-filled PTFE to

Geochemistry of trace metals in shelf sediments affected by seasonal and permanent low oxygen conditions off central Chile, SE Pacific (˜36°S)

Science.gov (United States)

Muñoz, Praxedes; Dezileau, Laurent; Cardenas, Lissette; Sellanes, Javier; Lange, Carina B.; Inostroza, Jorge; Muratli, Jesse; Salamanca, Marco A.

2012-02-01

Trace metals (Cd, U, Co, Ni, Cu, Ba, Fe, Mn), total organic carbon (TOC) and C and N stable isotope signatures (δ 13C and δ 15N) were determined in short sediments cores from the inner and outer shelf off Concepción, Chile (˜36°S). The objectives were to establish the effect of environmental conditions on trace metal distributions at two shelf sites, one affected by seasonal oxygenation and the other by permanent low oxygen conditions due to the presence of the oxygen minimum zone (OMZ). We evaluate trace metals as proxies of past changes in primary productivity and the bottom water oxygen regime. Concentrations of pore water sulfides and NH4+ were also measured as indicators of the main diagenetic pathways at each site. Our results for the inner shelf (seasonal suboxia) suggest that the oxidative state of the sediments responds to seasonal pulses of organic matter and that seasonal oxygenation develops during high and low primary productivity in the water column. Here, positive fluxes (to the water column) estimated from pore water concentrations of several elements were observed (Ba, Co, Ni, Fe and Mn). The less reduced environment at this site produces authigenic enrichment of Cu associated with the formation of oxides in the oxic surface sediment layer, and the reduction of U within deeper sediment sections occur consistently with negative estimated pore water fluxes. In the outer shelf sediments (permanent suboxia, OMZ site), negative fluxes (to the sediment) were estimated for all elements, but these sediments showed authigenic enrichments only for Cd, Cu and U. The short oxygenation period during the winter season did not affect the accumulation of these metals on the shelf. The distribution of Cu, Cd and U have been preserved within the sediments and the authigenic accumulation rates estimated showed a decrease from the deep sections of the core to the surface sediments. This could be explained by a gradual decrease in the strength of the OMZ in the

A novel ternary logic circuit using Josephson junction

International Nuclear Information System (INIS)

Morisue, M.; Oochi, K.; Nishizawa, M.

1989-01-01

This paper describes a novel Josephson complementary ternary logic circuit named as JCTL. This fundamental circuit is constructed by combination of two SQUIDs, one of which is switched in the positive direction and the other in the negative direction. The JCTL can perform the fundamental operations of AND, OR, NOT and Double NOT in ternary form. The principle of the operation and design criteria are described in detail. The results of the simulation show that the reliable operations of these circuits can be achieved with a high performance

An evaporation-based model of thermal neutron induced ternary fission of plutonium

International Nuclear Information System (INIS)

Lestone, J.P.

2008-01-01

Ternary fission probabilities for thermal neutron induced fission of plutonium are analyzed within the framework of an evaporation-based model where the complexity of time-varying potentials, associated with the neck collapse, are included in a simplistic fashion. If the nuclear temperature at scission and the fission-neck-collapse time are assumed to be ~ 1.2 MeV and ~ 10 -22 s, respectively, then calculated relative probabilities of ternary-fission light-charged-particle emission follow the trends seen in the experimental data. The ability of this model to reproduce ternary fission probabilities spanning seven orders of magnitude for a wide range of light-particle charges and masses implies that ternary fission is caused by the coupling of an evaporation-like process with the rapid re-arrangement of the nuclear fluid following scission. (author)

In Situ Spectroscopy and Mechanistic Insights into CO Oxidation on Transition-Metal-Substituted Ceria Nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Elias, Joseph S.; Stoerzinger, Kelsey A.; Hong, Wesley T.; Risch, Marcel; Giordano, Livia [Dipartimento; Mansour, Azzam N. [Naval; Shao-Horn, Yang

2017-09-12

Herein we investigate the reaction intermediates formed during CO oxidation on copper-substituted ceria nanoparticles (Cu0.1Ce0.9O2–x) by means of in situ spectroscopic techniques and identify an activity descriptor that rationalizes a trend with other metal substitutes (M0.1Ce0.9O2–x, M = Mn, Fe, Co, Ni). In situ X-ray absorption spectroscopy (XAS) performed under catalytic conditions demonstrates that O2– transfer occurs at dispersed copper centers, which are redox active during catalysis. In situ XAS reveals a dramatic reduction at the copper centers that is fully reversible under catalytic conditions, which rationalizes the high catalytic activity of Cu0.1Ce0.9O2–x. Ambient pressure X-ray photoelectron spectroscopy (AP-XPS) and in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) show that CO can be oxidized to CO32– in the absence of O2. We find that CO32– desorbs as CO2 only under oxygen-rich conditions when the oxygen vacancy is filled by the dissociative adsorption of O2. These data, along with kinetic analyses, lend support to a mechanism in which the breaking of copper–oxygen bonds is rate-determining under oxygen-rich conditions, while refilling the resulting oxygen vacancy is rate-determining under oxygen-lean conditions. On the basis of these observations and density functional calculations, we introduce the computed oxygen vacancy formation energy (Evac) as an activity descriptor for substituted ceria materials and demonstrate that Evac successfully rationalizes the trend in the activities of M0.1Ce0.9O2–x catalysts that spans three orders of magnitude. The applicability of Evac as a useful design descriptor is demonstrated by the catalytic performance of the ternary oxide Cu0.1La0.1Ce0.8O2–x, which has an apparent activation energy rivaling those of state-of-the-art Au/TiO2 materials. Thus, we suggest that cost-effective catalysts for CO oxidation can be rationally designed by judicious choice of substituting

Assessing hafnium on hafnia as an oxygen getter

International Nuclear Information System (INIS)

O'Hara, Andrew; Demkov, Alexander A.; Bersuker, Gennadi

2014-01-01

Hafnium dioxide or hafnia is a wide band gap dielectric used in a range of electronic applications from field effect transistors to resistive memory. In many of these applications, it is important to maintain control over oxygen stoichiometry, which can be realized in practice by using a metal layer, specifically hafnium, to getter oxygen from the adjacent dielectric. In this paper, we employ density functional theory to study the thermodynamic stability of an interface between (100)-oriented monoclinic hafnia and hafnium metal. The nudged elastic band method is used to calculate the energy barrier for migration of oxygen from the oxide to the metal. Our investigation shows that the presence of hafnium lowers the formation energy of oxygen vacancies in hafnia, but more importantly the oxidation of hafnium through the migration of oxygen from hafnia is favored energetically

Volume dependence of T/sub c/ of Ternary A-15 Phases

International Nuclear Information System (INIS)

Shamrai, V.

1984-01-01

Results are presented of measurements of the superconducting transition temperature T/sub c/, lattice constant a, magnetic susceptibility /sub chi/, and critical field H/sub c/ 2 for many Nb 3 Al and V 3 Si-based ternary phases and Nb 3 SnH/sub x/. For V 3 Si-based ternary systems and Nb 3 SnH/sub x/ the density of states at the Fermi level N(epsilon/sub F/) sharply decreases with the concentration of the alloying element. The variation of N(epsilon/sub F/) in these ternary systems cannot be explained by the variation of a. In ternary phases Nb 3 (Al/sub 1-x/dY/sub x/), where Y can be Ge, Ga, Sb, or Se, a quite clear correlation is revealed between T/sub c/ and a. The dependence of T/sub c/ on V in these systems is due to the variation of the matrix element of the electron-phonon interaction 2 >

A computer calculation of the ternary Mo-Pd-Rh phase diagram

International Nuclear Information System (INIS)

Guerler, R.; Pratt, J.N.

1993-01-01

Thermodynamic coefficients for the phases in the binary Mo-Pd, Pd-Rh and Mo-Rh systems were derived by the assessment of the available experimental data using the binary Lukas optimization program. The resulting coefficients were first successfully utilised in reestablishing the binaries. The coefficients thus obtained in the binary computation were combined with ternary descriptions to compute ternary isothermal sections. Although no ternary interaction term was involved in the construction of the isotherms, the section calculated at 1373 K is found to be consistent with the experimentally established isothermal section at the same temperature. The location of three-phase field (bcc+hcp+fcc) and phase boundaries in both isotherms are matching reasonably well. Combining only binary coefficients of these phases, it is possible to construct reasonable isothermal sections at different temperatures. Following this conclusion, isothermal sections ranging from 1373 to 2673 K of the ternary Mo-Pd-Rh system were calculated. (orig.)

SnO2 promoted by alkali metal oxides for soot combustion: The effects of surface oxygen mobility and abundance on the activity

Science.gov (United States)

Rao, Cheng; Shen, Jiating; Wang, Fumin; Peng, Honggen; Xu, Xianglan; Zhan, Hangping; Fang, Xiuzhong; Liu, Jianjun; Liu, Wenming; Wang, Xiang

2018-03-01

In this study, SnO2-based catalysts promoted by different alkali metal oxides with a Sn/M (M = Li, Na, K, Cs) molar ratio of 9/1 have been prepared for soot combustion. In comparison with the un-modified SnO2 support, the activity of the modified catalysts has been evidently enhanced, following the sequence of CsSn1-9 > KSn1-9 > NaSn1-9 > LiSn1-9 > SnO2. As testified by Raman, H2-TPR, soot-TPR-MS, XPS and O2-TPD results, the incorporation of various alkali metal oxides can induce the formation of more abundant and mobile oxygen species on the surface of the catalysts. Moreover, quantified results have proved that the amount of the surface active oxygen species is nearly proportional to the activity of the catalysts. CsSn1-9, the catalyst promoted by cesium oxide, owns the largest amount of surface mobile oxygen species, thus having the highest activity among all the studied catalysts. It is concluded that the amount of surface active and mobile oxygen species is the major factor determining the activity of the catalysts for soot combustion.

Ab initio modeling of plasticity in HCP metals: pure zirconium and titanium and effect of oxygen

International Nuclear Information System (INIS)

Chaari, Nermine

2015-01-01

We performed atomistic simulations to determine screw dislocations properties in pure zirconium and titanium and to explain the hardening effect attributed to oxygen alloying in both hexagonal close-packed transition metals. We used two energetic models: ab initio calculations based on the density functional theory and calculations with an empirical potential. The complete energetic profile of the screw dislocation when gliding in the different slip planes is obtained in pure Zr. Our calculations reveal the existence of a metastable configuration of the screw dislocation partially spread in the first order pyramidal plane. This configuration is responsible for the cross slip of screw dislocations from prismatic planes, the easiest glide planes, to pyramidal or basal planes. This energy profile is affected by oxygen addition. Ab initio calculations reveal two main effects: oxygen enhances pyramidal cross slip by modifying the dislocation core structure, and pins the dislocation in its metastable sessile configuration. The same modeling approach is applied to titanium. In pure Ti, the same configurations of the screw dislocation in Zr are obtained, but with different energy levels. This leads to a different gliding mechanism. The same way as in Zr, oxygen enhances pyramidal glide in Ti by modifying the dislocation core structure. Besides, oxygen atom lowers the energy of the metastable configuration but not enough to pin the dislocation in this sessile configuration. (author) [fr

Do supervised weekly exercise programs maintain functional exercise capacity and quality of life, twelve months after pulmonary rehabilitation in COPD?

Directory of Open Access Journals (Sweden)

Alison Jennifer A

2007-05-01

Full Text Available Abstract Background Pulmonary rehabilitation programs have been shown to increase functional exercise capacity and quality of life in COPD patients. However, following the completion of pulmonary rehabilitation the benefits begin to decline unless the program is of longer duration or ongoing maintenance exercise is followed. Therefore, the aim of this study is to determine if supervised, weekly, hospital-based exercise compared to home exercise will maintain the benefits gained from an eight-week pulmonary rehabilitation program in COPD subjects to twelve months. Methods Following completion of an eight-week pulmonary rehabilitation program, COPD subjects will be recruited and randomised (using concealed allocation in numbered envelopes into either the maintenance exercise group (supervised, weekly, hospital-based exercise or the control group (unsupervised home exercise and followed for twelve months. Measurements will be taken at baseline (post an eight-week pulmonary rehabilitation program, three, six and twelve months. The exercise measurements will include two six-minute walk tests, two incremental shuttle walk tests, and two endurance shuttle walk tests. Oxygen saturation, heart rate and dyspnoea will be monitored during all these tests. Quality of life will be measured using the St George's Respiratory Questionnaire and the Hospital Anxiety and Depression Scale. Participants will be excluded if they require supplemental oxygen or have neurological or musculoskeletal co-morbidities that will prevent them from exercising independently. Discussion Pulmonary rehabilitation plays an important part in the management of COPD and the results from this study will help determine if supervised, weekly, hospital-based exercise can successfully maintain functional exercise capacity and quality of life following an eight-week pulmonary rehabilitation program in COPD subjects in Australia.

Electrochemical transformations of oxygen and the defect structure of solid solutions on the basis of alkaline earth metal ortho-vanadates

International Nuclear Information System (INIS)

Khodos, M.Ya.; Belysheva, G.M.; Brajnina, Kh.Z.

1986-01-01

Effect of iso- and heterovalent substitution in the structure of alkaline earth metal ortho-vanadates and synthesis conditions, simulating the definite type of their crystal lattice disordering, on the character of potentiodynamic anodic-cathodic curves has been investigated by the method of cyclic voltammetry. Correlation between signals observed and the defect structure of oxide compounds is refined. Oxygen chemisorption is shown to be determined by concentration of nonequilibrium oxygen vacancies, which formation is accompanied by appearance of quasi-free electrons

Ternary chalcogenide micro-pseudocapacitors for on-chip energy storage

KAUST Repository

Kurra, Narendra

2015-05-11

We report the successful fabrication of a micro-pseudocapacitor based on ternary nickel cobalt sulfide for the first time, with performance substantially exceeding that of previously reported micro-pseudocapacitors based on binary sulfides. CoNi2S4 micro-pseudocapacitor exhibits a maximum energy density of 18.7 mWh/cm3 at a power density of 1163 mW/cm3, opens up an avenue for exploring new family of ternary oxides/sulfides based micro-pseudocapacitors.

Ternary chalcogenide micro-pseudocapacitors for on-chip energy storage

KAUST Repository

Kurra, Narendra; Xia, Chuan; Hedhili, Mohamed N.; Alshareef, Husam N.

2015-01-01

We report the successful fabrication of a micro-pseudocapacitor based on ternary nickel cobalt sulfide for the first time, with performance substantially exceeding that of previously reported micro-pseudocapacitors based on binary sulfides. CoNi2S4 micro-pseudocapacitor exhibits a maximum energy density of 18.7 mWh/cm3 at a power density of 1163 mW/cm3, opens up an avenue for exploring new family of ternary oxides/sulfides based micro-pseudocapacitors.

Introducing Barium in Transition Metal Oxide Frameworks: Impact upon Superconductivity, Magnetism, Multiferroism and Oxygen Diffusion and Storage.

Science.gov (United States)

Raveau, Bernard

2017-06-01

The role of barium in the structural chemistry of some transition metal oxides of the series "Cu, Mn, Fe,Co" is reviewed, based on its size effect and its particular chemical bonding. Its impact upon various properties, superconductivity, magnetism, multiferroism, oxygen storage is emphasized. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Removal of Pb(II), Cu(II) and Cd(II) from aqueous solution by some fungi and natural adsorbents in single and multiple metal systems

International Nuclear Information System (INIS)

Shoaib, A.; Badar, T.; Aslam, N.

2011-01-01

Six fungal and 10 natural biosorbents were analyzed for their Cu(II), Cd(II) and Pb(II) uptake capacity from single, binary and ternary metal ion system. Preliminary screening biosorption of assays revealed 2 fungi (Aspergillus niger and Cunninghamella echinulata) and three natural [Cicer arietinum husk, Moringa oleifera flower and soil (clay)] adsorbents hold considerable high adsorption efficiency and capacity for 3 meta l ions amongst the adsorbents. Further biosorption trials with five elected adsorbents showed a considerable reduction in metal uptake capability of adsorbents in binary- and ternary systems as compared to singly metal system. Cd(II) manifested the highest inhibitory effect on the biosorption of other metal ions, followed by Pb(II) and Cu(II). On account of metal preference, the selectivity order for metal ion towards the studied biomass matrices was Pb(II) (40-90%) > Cd(II) (2-53%) > Cu(II) (2-30%). (author)

Ternary particles with extreme N/Z ratios from neutron-induced fission

International Nuclear Information System (INIS)

Koster, U.; Faust, H.; Friedrichs, T.; Oberstedt, S.; Fioni, G.; Grob, M.; Ahmad, I. J.; Devlin, M.; Heinz, A.; Kondev, F. G.; Lauritsen, T.; Sarantites, D. G.; Siem, S.; Sobotka, L. G.; Sonzogni, A.

2000-01-01

The existing ternary fission models can well reproduce the yields of the most abundant light charged particles. However, these models tend to significantly overestimate the yields of ternary particles with an extreme N/Z ratio: 3 He, 11 Li, 14 Be, etc. The experimental yields of these isotopes were investigated with the recoil separator LOHENGRIN down to a level of 10 -10 per fission. Results from the fissioning systems 233 U (n th , f), 235 U(n th ,f), 239 Pu(n th ,f) 241 Pu(n th ,f) and 245 Cm(n th ,f) are presented and the implications for the ternary fission models are discussed

TiO2, SiO2 and ZrO2 Nanoparticles Synergistically Provoke Cellular Oxidative Damage in Freshwater Microalgae

Directory of Open Access Journals (Sweden)

Yinghan Liu

2018-02-01

Full Text Available Metal-based nanoparticles (NPs are the most widely used engineered nanomaterials. The individual toxicities of metal-based NPs have been plentifully studied. However, the mixture toxicity of multiple NP systems (n ≥ 3 remains much less understood. Herein, the toxicity of titanium dioxide (TiO2 nanoparticles (NPs, silicon dioxide (SiO2 NPs and zirconium dioxide (ZrO2 NPs to unicellular freshwater algae Scenedesmus obliquus was investigated individually and in binary and ternary combination. Results show that the ternary combination systems of TiO2, SiO2 and ZrO2 NPs at a mixture concentration of 1 mg/L significantly enhanced mitochondrial membrane potential and intracellular reactive oxygen species level in the algae. Moreover, the ternary NP systems remarkably increased the activity of the antioxidant defense enzymes superoxide dismutase and catalase, together with an increase in lipid peroxidation products and small molecule metabolites. Furthermore, the observation of superficial structures of S. obliquus revealed obvious oxidative damage induced by the ternary mixtures. Taken together, the ternary NP systems exerted more severe oxidative stress in the algae than the individual and the binary NP systems. Thus, our findings highlight the importance of the assessment of the synergistic toxicity of multi-nanomaterial systems.

Unifying the 2e^– and 4e^– Reduction of Oxygen on Metal Surfaces

DEFF Research Database (Denmark)

Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan

2012-01-01

Understanding trends in selectivity is of paramount importance for multi-electron electrochemical reactions. The goal of this work is to address the issue of 2e– versus 4e– reduction of oxygen on metal surfaces. Using a detailed thermodynamic analysis based on density functional theory calculatio...

A metal-free electrocatalyst for carbon dioxide reduction to multi-carbon hydrocarbons and oxygenates

Science.gov (United States)

Wu, Jingjie; Ma, Sichao; Sun, Jing; Gold, Jake I.; Tiwary, Chandrasekhar; Kim, Byoungsu; Zhu, Lingyang; Chopra, Nitin; Odeh, Ihab N.; Vajtai, Robert; Yu, Aaron Z.; Luo, Raymond; Lou, Jun; Ding, Guqiao; Kenis, Paul J. A.; Ajayan, Pulickel M.

2016-12-01

Electroreduction of carbon dioxide into higher-energy liquid fuels and chemicals is a promising but challenging renewable energy conversion technology. Among the electrocatalysts screened so far for carbon dioxide reduction, which includes metals, alloys, organometallics, layered materials and carbon nanostructures, only copper exhibits selectivity towards formation of hydrocarbons and multi-carbon oxygenates at fairly high efficiencies, whereas most others favour production of carbon monoxide or formate. Here we report that nanometre-size N-doped graphene quantum dots (NGQDs) catalyse the electrochemical reduction of carbon dioxide into multi-carbon hydrocarbons and oxygenates at high Faradaic efficiencies, high current densities and low overpotentials. The NGQDs show a high total Faradaic efficiency of carbon dioxide reduction of up to 90%, with selectivity for ethylene and ethanol conversions reaching 45%. The C2 and C3 product distribution and production rate for NGQD-catalysed carbon dioxide reduction is comparable to those obtained with copper nanoparticle-based electrocatalysts.

A metal-free electrocatalyst for carbon dioxide reduction to multi-carbon hydrocarbons and oxygenates

Science.gov (United States)

Wu, Jingjie; Ma, Sichao; Sun, Jing; Gold, Jake I.; Tiwary, ChandraSekhar; Kim, Byoungsu; Zhu, Lingyang; Chopra, Nitin; Odeh, Ihab N.; Vajtai, Robert; Yu, Aaron Z.; Luo, Raymond; Lou, Jun; Ding, Guqiao; Kenis, Paul J. A.; Ajayan, Pulickel M.

2016-01-01

Electroreduction of carbon dioxide into higher-energy liquid fuels and chemicals is a promising but challenging renewable energy conversion technology. Among the electrocatalysts screened so far for carbon dioxide reduction, which includes metals, alloys, organometallics, layered materials and carbon nanostructures, only copper exhibits selectivity towards formation of hydrocarbons and multi-carbon oxygenates at fairly high efficiencies, whereas most others favour production of carbon monoxide or formate. Here we report that nanometre-size N-doped graphene quantum dots (NGQDs) catalyse the electrochemical reduction of carbon dioxide into multi-carbon hydrocarbons and oxygenates at high Faradaic efficiencies, high current densities and low overpotentials. The NGQDs show a high total Faradaic efficiency of carbon dioxide reduction of up to 90%, with selectivity for ethylene and ethanol conversions reaching 45%. The C2 and C3 product distribution and production rate for NGQD-catalysed carbon dioxide reduction is comparable to those obtained with copper nanoparticle-based electrocatalysts. PMID:27958290

Thermochemical investigations into the system Y-Ba-Cu-O

International Nuclear Information System (INIS)

Neuschuetz, D.; Zimmermann, E.; Hack, K.; Boudene, A.; Mohammad, A.

1992-01-01

For a consistent thermodynamic description of the quaternary system Y-Ba-Cu-O, the binary and ternary subsystems must be known. The metallic binaries and the ternary system Y-Ba-Cu have been evaluated by the authors. Discrepancies within the Cu-O system made a thorough experimental re-investigation necessary, leading to a new consistent thermodynamic data set for copper-oxygen which can now serve as a basis for the description of phase equilibria of all high temperature superconductors. Extensive experimental work on the ternaries Y-Cu-O and Ba-Cu-O, which are oxygen partial pressure dependent, revealed liquid phases down to 790degC. The ternary Y-Ba-O could be described more easily on the basis of literature values and present experimental results, because it does not contain any liquid phases at relevant temperatures. The representation of the quaternary Y-Ba-Cu-O is complicated both by its dependence on the oxygen potential and the existence of liquid oxide phases. In contrast to common practice, the present investigations had to start from Cu-free Ba-Y-O in order to avoid unknown liquid phases in the experiments. The present results being insufficient for a complete description of the quaternary system, the work is being continued within an EC joint research project. (orig.) With 84 refs., 8 tabs., 47 figs [de

Investigations of the ternary system beryllium-carbon-tungsten and analyses of beryllium on carbon surfaces

International Nuclear Information System (INIS)

Kost, Florian

2009-01-01

Beryllium, carbon and tungsten are planned to be used as first wall materials in the future fusion reactor ITER. The aim of this work is a characterization of mixed material formation induced by thermal load. To this end, model systems (layers) were prepared and investigated, which give insight into the basic physical and chemical concepts. Before investigating ternary systems, the first step was to analyze the binary systems Be/C and Be/W (bottom-up approach), where the differences between the substrates PG (pyrolytic graphite) and HOPG (highly oriented pyrolytic graphite) were of special interest. Particularly X-ray photoelectron spectroscopy (XPS), low energy ion scattering (ISS) and Rutherford backscattering spectroscopy (RBS) were used as analysis methods. Beryllium evaporated on carbon shows an island growth mode, whereas a closed layer can be assumed for layer thicknesses above 0.7 nm. Annealing of the Be/C system induces Be 2 C island formation for T≥770 K. At high temperatures (T≥1170 K), beryllium carbide dissociates, resulting in (metallic) beryllium desorption. For HOPG, carbide formation starts at higher temperatures compared to PG. Activation energies for the diffusion processes were determined by analyzing the decreasing beryllium amount versus annealing time. Surface morphologies were characterized using angle-resolved XPS (ARXPS) and atomic force microscopy (AFM). Experiments were performed to study processes in the Be/W system in the temperature range from 570 to 1270 K. Be 2 W formation starts at 670 K, a complete loss of Be 2 W is observed at 1170 K due to dissociation (and subsequent beryllium desorption). Regarding ternary systems, particularly Be/C/W and C/Be/W were investigated, attaching importance to layer thickness (reservoir) variations. At room temperature, Be 2 C, W 2 C, WC and Be 2 W formation at the respective interfaces was observed. Further Be 2 C is forming with increasing annealing temperatures. Depending on the layer

Solid-state reactions during mechanical alloying of ternary Fe–Al–X (X=Ni, Mn, Cu, Ti, Cr, B, Si) systems: A review

Energy Technology Data Exchange (ETDEWEB)

Hadef, Fatma, E-mail: hadef77@yahoo.fr [Laboratoire de Recherche sur la Physico-Chimie des Surfaces et Interfaces, LRPCSI, Université 20 Août 1955, BP 26, Route d’El-Haddaiek, Skikda 21000 (Algeria); Département de Physique, Faculté des Sciences, Université 20 Août 1955, BP 26, Route d’El-Haddaiek, Skikda 21000 (Algeria)

2016-12-01

The last decade has witnessed an intensive research in the field of nanocrystalline materials due to their enhanced properties. A lot of processing techniques were developed in order to synthesis these novel materials, among them mechanical alloying or high-energy ball milling. In fact, mechanical alloying is one of the most common operations in the processing of solids. It can be used to quickly and easily synthesize a variety of technologically useful materials which are very difficult to manufacture by other techniques. One advantage of MA over many other techniques is that is a solid state technique and consequently problems associated with melting and solidification are bypassed. Special attention is being paid to the synthesis of alloys through reactions mainly occurring in solid state in many metallic ternary Fe–Al–X systems, in order to improve mainly Fe–Al structural and mechanical properties. The results show that nanocrystallization is the common result occurring in all systems during MA process. The aim of this work is to illustrate the uniqueness of MA process to induce phase transformation in metallic Fe–Al–X (X=Ni, Mn, Cu, Ti, Cr, B, Si) systems. - Highlights: • A review of state of the art on binary Fe–Al alloys was presented. • Structural and microstructural properties of MA ternary Fe–Al–X alloys were summerized. • MA process is a powerful tool for producing metallic alloys at the nanometer scale.

Oxygen potential of Th1-yUyO2+x

International Nuclear Information System (INIS)

Schram, R.P.C.; Cordfunke, E.H.P.

1996-03-01

Oxygen potentials of UO 2 -ThO 2 solid solutions (Th 1-y U y O 2+x ) were retrieved from literature and stored in a database. For each datapoint the oxygen pressure p O 2 the nonstoichiometry x, the temperature T and the uranium concentration y was specified. The data were analyzed using a defect model, which includes electronic disorder, point defects and cluster formation. In addition, the thermochemical representation of Lindemer and Besmann for UO 2+x was extended for the analysis of the Th 1-y U y O 2+x data. The solid solution is regarded as an ideal ternary mixture of UO 2 , ThO 2 and a hypothetical compound U a O b . The thermodynamic properties of this compound U a O b were determined in two oxygen pressure ranges of the database. In both the defect model and thermochemical approach ThO 2 is treated as an inert compound that does not participate in any of the chemical equilibria describing the oxygen potential. (orig.)

Equilibrium study for ternary mixtures of biodiesel

Science.gov (United States)

Doungsri, S.; Sookkumnerd, T.; Wongkoblap, A.; Nuchitprasittichai, A.

2017-11-01

The liquid-liquid equilibrium (LLE) data for the ternary mixtures of methanol + fatty acid methyl ester (FAME) + palm oil and FAME + palm oil + glycerol at various temperatures from 35 to 55°C, the tie lines and binodial curves were also investigated and plotted in the equilibrium curve. The experimental results showed that the binodial curves of methanol + FAME + palm oil depended significantly with temperature while the binodial curves of FAME + palm oil + glycerol illustrated insignificant change with temperatures. The interaction parameters between liquid pair obtained for NRTL (Nonrandom Two-Liquid) and UNIQUAC (Universal Quasi-Chemical Theory) models from the experimental data were also investigated. It was found that the correlated parameters of UNIQUAC model for system of FAME + palm oil + glycerol, denoted as a13 and a31, were 580.42K and -123.69K, respectively, while those for system of methanol + FAME + palm oil, denoted as a42 and a24, were 71.48 K and 965.57K, respectively. The ternary LLE data reported here would be beneficial for engineers and scientists to use for prediction of yield and purity of biodiesel for the production. The UNIQUAC model agreed well with the experimental data of ternary mixtures of biodiesel.

Boosting the Visible-Light Photoactivity of BiOCl/BiVO4/N-GQD Ternary Heterojunctions Based on Internal Z-Scheme Charge Transfer of N-GQDs: Simultaneous Band Gap Narrowing and Carrier Lifetime Prolonging.

Science.gov (United States)

Zhu, Mingyue; Liu, Qian; Chen, Wei; Yin, Yuanyuan; Ge, Lan; Li, Henan; Wang, Kun

2017-11-08

The efficient separation of photogenerated electron-hole pairs in photoactive materials is highly desired, allowing their transfer to specific sites for undergoing redox reaction in various applications. The construction of ternary heterojunctions is a practical strategy to enhance the migration of photogenerated electron that realizes the synergistic effect of multicomponents rather than the simple overlay of single component. Here, we demonstrate an available way to fabricate new BiOCl/BiVO 4 /nitrogen-doped graphene quantum dot (N-GQD) ternary heterojunctions that exhibit higher efficiency in charge separation than any binary heterojunction or pure material under visible-light irradiation. UV-vis diffuse reflectance spectroscopy demonstrated that the proposed BiOCl/BiVO 4 /N-GQD ternary heterojunctions possess the narrower band gap energy. More importantly, the ternary heterojunctions reveal the prolonged lifetime of photogenerated charges and enhanced the separation efficiency of photogenerated electron-hole pairs, which may be ascribed to sensitization based on an internal Z-scheme charge transfer at the interface of N-GQDs with oxygen functional groups. Furthermore, we examine the photoactive performance of proposed ternary heterojunctions in aqueous solution by using the photodegradation of bisphenol A as a model system and BiOCl/BiVO 4 /N-GQD ternary heterojunctions also display a dramatically enhanced photodegradation rate. The proposed charge separation and transfer process of BiOCl/BiVO 4 /N-GQD ternary heterojunctions for the enhanced photoactivity were deduced by electrochemical measurements, photoluminescence, and electron spin resonance. The results demonstrate that a Z-scheme charge process was formed between BiOCl/BiVO 4 binary heterojunctions and N-GQDs, leading to an efficient charge carrier separation and strong photocatalytic ability. Notably, this work may assist in a better understanding of the role of N-GQDs in kinds of heterojunctions

PM1 steganographic algorithm using ternary Hamming Code

Directory of Open Access Journals (Sweden)

Kamil Kaczyński

2015-12-01

Full Text Available PM1 algorithm is a modification of well-known LSB steganographic algorithm. It has increased resistance to selected steganalytic attacks and increased embedding efficiency. Due to its uniqueness, PM1 algorithm allows us to use of larger alphabet of symbols, making it possible to further increase steganographic capacity. In this paper, we present the modified PM1 algorithm which utilizies so-called syndrome coding and ternary Hamming code. The modified algorithm has increased embedding efficiency, which means fewer changes introduced to carrier and increased capacity.[b]Keywords[/b]: steganography, linear codes, PM1, LSB, ternary Hamming code

Interplay between O2 and SnO2: oxygen ionosorption and spectroscopic evidence for adsorbed oxygen.

Science.gov (United States)

Gurlo, Alexander

2006-10-13

Tin dioxide is the most commonly used material in commercial gas sensors based on semiconducting metal oxides. Despite intensive efforts, the mechanism responsible for gas-sensing effects on SnO(2) is not fully understood. The key step is the understanding of the electronic response of SnO(2) in the presence of background oxygen. For a long time, oxygen interaction with SnO(2) has been treated within the framework of the "ionosorption theory". The adsorbed oxygen species have been regarded as free oxygen ions electrostatically stabilized on the surface (with no local chemical bond formation). A contradiction, however, arises when connecting this scenario to spectroscopic findings. Despite trying for a long time, there has not been any convincing spectroscopic evidence for "ionosorbed" oxygen species. Neither superoxide ions O(2)(-), nor charged atomic oxygen O,(-) nor peroxide ions O(2)(2-) have been observed on SnO(2) under the real working conditions of sensors. Moreover, several findings show that the superoxide ion does not undergo transformations into charged atomic oxygen at the surface, and represents a dead-end form of low-temperature oxygen adsorption on reduced metal oxide.

Maxwell-Stefan diffusion coefficient estimation for ternary systems: an ideal ternary alcohol system.

Science.gov (United States)

Allie-Ebrahim, Tariq; Zhu, Qingyu; Bräuer, Pierre; Moggridge, Geoff D; D'Agostino, Carmine

2017-06-21

The Maxwell-Stefan model is a popular diffusion model originally developed to model diffusion of gases, which can be considered thermodynamically ideal mixtures, although its application has been extended to model diffusion in non-ideal liquid mixtures as well. A drawback of the model is that it requires the Maxwell-Stefan diffusion coefficients, which are not based on measurable quantities but they have to be estimated. As a result, numerous estimation methods, such as the Darken model, have been proposed to estimate these diffusion coefficients. However, the Darken model was derived, and is only well defined, for binary systems. This model has been extended to ternary systems according to two proposed forms, one by R. Krishna and J. M. van Baten, Ind. Eng. Chem. Res., 2005, 44, 6939-6947 and the other by X. Liu, T. J. H. Vlugt and A. Bardow, Ind. Eng. Chem. Res., 2011, 50, 10350-10358. In this paper, the two forms have been analysed against the ideal ternary system of methanol/butan-1-ol/propan-1-ol and using experimental values of self-diffusion coefficients. In particular, using pulsed gradient stimulated echo nuclear magnetic resonance (PGSTE-NMR) we have measured the self-diffusion coefficients in various methanol/butan-1-ol/propan-1-ol mixtures. The experimental values of self-diffusion coefficients were then used as the input data required for the Darken model. The predictions of the two proposed multicomponent forms of this model were then compared to experimental values of mutual diffusion coefficients for the ideal alcohol ternary system. This experimental-based approach showed that the Liu's model gives better predictions compared to that of Krishna and van Baten, although it was only accurate to within 26%. Nonetheless, the multicomponent Darken model in conjunction with self-diffusion measurements from PGSTE-NMR represents an attractive method for a rapid estimation of mutual diffusion in multicomponent systems, especially when compared to exhaustive

Collective and tracer diffusion kinetics in the ternary random alloy

International Nuclear Information System (INIS)

Belova, I.V.; Murch, G.E.; Allnatt, A.R.

2002-01-01

In this study, collective and tracer diffusion kinetics is addressed for the ternary random alloy. A formal solution from the self-consistent theory of Moleko et al (Moleko L K, Allnatt A R and Allnatt E L 1989 Phil. Mag. A 59 141) is derived for collective diffusion and compared with the corresponding solution for the binary random alloy. Tracer diffusion in the ternary alloy is treated from the perspective of a special case of the quaternary random alloy. Results from Monte Carlo calculations for tracer and collective correlation factors (for the bcc ternary random alloy) are found to be in excellent agreement with this self-consistent theory but in only semi-quantitative agreement with the earlier theory of Manning (Manning J R 1971 Phys. Rev. B 4 1111). (author)

Oxygen abundances in halo stars

Science.gov (United States)

Bessell, Michael S.; Sutherland, Ralph S.; Ruan, Kui

1991-12-01

The present study determines the oxygen abundance for a sample of metal-poor G dwarfs by analysis of OH lines between 3080 and 3200 A and the permitted high-excitation far-red O I triple. The oxygen abundances determined from the low-excitation OH lines are up to 0.55 dex lower than those measured from the high-excitation O I lines. The abundances for the far-red O I triplet lines agree with those rederived from Abia and Rebolo (1989), and the abundances from the OH lines in dwarfs and giants are in agreement with the rederived O abundances of Barbuy (1988) and others from the forbidden resonance O I line. Because the chi = 0.1.7 eV OH lines are formed in the same layers as the majority of Fe, Ti, and other neutral metal lines used for abundance analyses, it is argued that the OH lines and the forbidden O I line yield the true oxygen abundances relative to the metals.

The twelve colourful stones

International Nuclear Information System (INIS)

Doria, R.M.

1983-01-01

A dynamics with twelve colourful stones is created based on the concepts of gauge and colour. It is associated different gauge fields to the same group. A group of gauge invariant Lagrangians is established. A gauge invariant mass term is introduced. The colourful stones physical insight is to be building blocks for quarks and leptons. (Author) [pt

Completed Local Ternary Pattern for Rotation Invariant Texture Classification

Directory of Open Access Journals (Sweden)

Taha H. Rassem

2014-01-01

Full Text Available Despite the fact that the two texture descriptors, the completed modeling of Local Binary Pattern (CLBP and the Completed Local Binary Count (CLBC, have achieved a remarkable accuracy for invariant rotation texture classification, they inherit some Local Binary Pattern (LBP drawbacks. The LBP is sensitive to noise, and different patterns of LBP may be classified into the same class that reduces its discriminating property. Although, the Local Ternary Pattern (LTP is proposed to be more robust to noise than LBP, however, the latter’s weakness may appear with the LTP as well as with LBP. In this paper, a novel completed modeling of the Local Ternary Pattern (LTP operator is proposed to overcome both LBP drawbacks, and an associated completed Local Ternary Pattern (CLTP scheme is developed for rotation invariant texture classification. The experimental results using four different texture databases show that the proposed CLTP achieved an impressive classification accuracy as compared to the CLBP and CLBC descriptors.

Using a Ternary Diagram to Display a System's Evolving Energy Distribution

Science.gov (United States)

Brazzle, Bob; Tapp, Anne

2016-01-01

A ternary diagram is a graphical representation used for systems with three components. They are familiar to mineralogists (who typically use them to categorize varieties of solid solution minerals such as feldspar) but are not yet widely used in the physics community. Last year the lead author began using ternary diagrams in his introductory…

Experimental determination of the phase equilibria in the Co-Fe-Zr ternary system

International Nuclear Information System (INIS)

Wang, C.P.; Yu, Y.; Zhang, H.H.; Hu, H.F.; Liu, X.J.

2011-01-01

Research highlights: → We determined four isothermal sections of the Co-Fe-Zr system from 1000 o C to 1300 o C. → No ternary compound was found in the Co-Fe-Zr ternary system. → The solubility of Fe in the liquid phase at 1300 o C is extremely large. → The (Co, Fe) 2 Zr phase form the continuous solution from Co-Zr side to Fe-Zr side. → The solubility of Zr in the fcc (Co, Fe) phase is extremely small. - Abstract: The phase equilibria in the Co-Fe-Zr ternary system were investigated by means of optical microscopy (OM), electron probe microanalysis (EPMA), X-ray diffraction (XRD), and differential scanning calorimetry (DSC) on equilibrated ternary alloys. Four isothermal sections of the Co-Fe-Zr ternary system at 1300 o C, 1200 o C, 1100 o C and 1000 o C were experimentally established. The experimental results indicate that (1) no ternary compound was found in this system; (2) the solubility of Fe in the liquid phase of the Co-rich corner at 1300 o C is extremely large; (3) the liquid phase in the Zr-rich corner and the (Co,Fe) 2 Zr phase form the continuous solid solutions from the Co-Zr side to the Fe-Zr side; (4) the solubility of Zr in the fcc (Co, Fe) phase is extremely small.

Formation of binary and ternary complexes of mercaptobenzimidazoles with lanthanides in presence of aminopolycarboxylic acids

Energy Technology Data Exchange (ETDEWEB)

Seshi Reddy, P; Manwal, D D; Chandra Pal, A V [Osmania Univ., Hyderabad (India). Dept. of Chemistry

1994-05-01

The formation constants of 1:1 and 1:2 binary Ln (III)-2-mercaptomethylbenzimidazole (MMB), Ln (III)-2-mercapto-ethylbenzimidazole (MEB) and 1:1:1 ternary [Ln (III)-A-MMB], [Ln (III)-A-MEB] chelates [where Ln(III) = Pr, Nd, Gd, Dy and Y; A = iminodiacetic acid (IMDA), hydroxyethyliminodiacetic acid (HIMDA) and nitrilotriacetic acid (NTA)] have been determined pH-metrically in 50% (v/v) aqueous ethanol medium at 30 degC and I = 0.1 M (NaClO{sub 4}). The ligands MMB and MEB coordinates as secondary ligands in presence of IMDA, HIMDA and NTA with metal ions. (author). 11 refs., 2 figs., 2 tabs.

Calculation on uranium carbon oxygen system molecular structure by DFT

International Nuclear Information System (INIS)

Zhang Guangfeng; Wang Xiaolin; Zou Lexi; Sun Ying; Xue Weidong; Zhu Zhenghe; Wang Hongyan

2001-01-01

The authors study on the possible molecular structures U-C-O, U-O-C, C-U-O (angular structure C a nd linear structure C ∞υ ) of carbon monoxide interacting on uranium metal surface by Density functional theory (DFT). The uranium atom is used RECP (Relativistic Effective Core Potential) and contracted valence basis sets (6s5p2d4f)/[3s3p2d2f], and for carbon and oxygen atoms all are 6-311G basis sets. The author presents the results of energy optimum which shows that triple and quintuple state are more stable. The authors get the electronic state, geometry structure, energy, harmonic frequency, mechanical property, etc. of these twelve triple and quintuple state relative stable structures. The normal vibrational analytical figure of angular structure (C s ) and linear structure (C ∞υ ) is given at the same time. It is indicated that angular structure has lower energy than linear structure, moreover the angular structure of U-C-O( 3 A ) has the lowest energy. The bond strength between uranium atom and carbon monoxide is weak and between uranium atom and oxygen atom is slightly stronger than between uranium atom and carbon atom which the authors can know by superposition population and bond energy analysis among atoms

Phase relations and equilibrium oxygen partial pressures in the iron-titanium-oxygen system at 1373 K; Tetsu-chitan-sansokei no 1373K ni okeru sokankei to heiko sanso bun`atsu

Energy Technology Data Exchange (ETDEWEB)

Inoue, O.; Ito, S.; Azakami, T. [Tohoku University, Sendai (Japan). Faculty of Engineering

1996-09-20

Phase relations and the equilibrium oxygen partial pressures in the Fe-Ti-O ternary system at 1373 K have been studied using a thermogravimetric technique in various atmospheres buffered by a CO-CO2 gas mixture and X-ray diffraction technique. The results indicate that at 1373 K ilmenite (FeTiO3) can be reduced and decomposed to iron and rutile (TiO2). Consequently upgrading ilmenite to a rutile substitute is possible in principle. From the present results, the standard Gibbs energy of the following reactions was calculated to be -184.7, -196.0 kJ{center_dot}mol{sup -1} at 1373 K, respectively. Fe(s)+FeTiO3(s)+1/2O{sub 2}(g)=Fe2TiO4(s), Fe(s)+TiO{sub 2}(s)+1/2O{sub 2}(g)=`FeTiO3`(s). Both the activities of magnetite and ulv6spinel in the Fe2TiO4-Fe3O4 spinel solid solutions coexisting with metallic iron at 1373 K obtained exhibit negative deviations from Raoult`s law. 19 refs., 10 figs., 3 tabs.

Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams.

Science.gov (United States)

Bolla, Geetha; Nangia, Ashwini

2015-11-04

SMBA was selected as a bifunctional sulfa drug to design ternary cocrystals with pyridine amides and lactam coformers. Supramolecular assembly of five ternary cocrystals of p-sulfonamide benzoic acid with nicotinamide and 2-pyridone is demonstrated and reproducible heterosynthons are identified for crystal engineering.

Experimental Investigation of the 1073 K (800 °C) Isothermal Section of the Al-V-Zr Ternary System

Science.gov (United States)

Zhu, Yude; Ouyang, Xuemei; Yin, Fucheng; Zhao, Manxiu; Lou, Jia

2018-03-01

This work is focused on an experimental investigation of the phase equilibria of the Al-V-Zr system at 1073 K (800 °C). The phase equilibria were analyzed using scanning electron microscopy (SEM) coupled with energy-dispersive spectrometry and X-ray diffraction. The results confirmed the presence of twelve three-phase regions and one ternary compound, Τ, which contains 10.0 to 16.5 at. pct Zr, 52.8 to 55.2 at. pct Al, and 29.3 to 36.3 at. pct V. The T phase can be in equilibrium with Al8V5, Al3Zr, Al2Zr, and α-V. The T phase belongs to the tetragonal crystal system with confirmed lattice parameters of a = 0.658531 nm and c = 0.517334 nm. The Al2Zr phase region is extraordinarily large and can be in equilibrium with all the compounds in the Al-Zr and V-Zr systems, with the exception of the AlZr phase.

Asymmetry in ternary fission induced by polarized neutrons and fission mechanism

International Nuclear Information System (INIS)

Bunakov, V.E.; Gennenvajn, F.; Dzhessinger, P.; Mutterer, M.; Petrov, G.A.

2003-01-01

The results of measuring the P-odd, P-even (right-left) and T-odd asymmetries of the charged particles emission in the double and ternary fission, induced by the polarized neutrons, are considered. It is shown, what kind of information on the mechanism of the ternary nuclear fission may be obtained from the theoretical analysis of these data [ru

Transition Metal Catalyzed Reactions of Carbohydrates: a Nonoxidative Approach to Oxygenated Organics

Energy Technology Data Exchange (ETDEWEB)

Andrews, Mark

1997-01-08

There is a critical need for new environmentally friendly processes in the United States chemical industry as legislative and economic pressures push the industry to zero-waste and cradle-to-grave responsibility for the products they produce. Carbohydrates represent a plentiful, renewable resource, which for some processes might economically replace fossil feedstocks. While the conversion of biomass to fuels, is still not generally economical, the selective synthesis of a commodity or fine chemical, however, could compete effectively if appropriate catalytic conversion systems can be found. Oxygenated organics, found in a variety of products such as nylon and polyester, are particularly attractive targets. We believe that with concerted research efforts, homogeneous transition metal catalyzed reactions could play a significant role in bringing about this future green chemistry technology.

Investigation of itraconazole ternary amorphous solid dispersions based on povidone and Carbopol.

Science.gov (United States)

Meng, Fan; Meckel, Jordan; Zhang, Feng

2017-08-30

We investigate a ternary system that consists of itraconazole (ITZ) and two polymers: povidone K12 and Carbopol 907. The interactions between these two polymers and their effects on the properties of ternary ITZ amorphous solid dispersions (ASDs) are studied. These two polymers can form a water-insoluble complex in acidic aqueous media. The critical pH is determined to be 4.17. The weight percentage of Carbopol 907 in the interpolymer complex range from 59 to 70%, depending on the initial ratios between these two polymers in the starting solutions. This complexation is driven by a negative enthalpy change from the H-bonding between the two polymers and a positive entropy change from the freed water molecules. Due to the slow precipitation of the interpolymer complex in aqueous media, the attempt to prepare ternary ASD using solvent-controlled coprecipitation is not successful. Melt extrusion is identified to be the only viable method to prepare this ternary ASD. We find that interpolymer complex-based ASDs are physically less stable and demonstrate the poorest drug-release properties when compared to individual polymer-based binary ASDs. This study illustrates that the too strong interaction between polymers in ternary ASDs is detrimental to their performance. Copyright © 2017 Elsevier B.V. All rights reserved.

Crystal chemistry and magnetic properties of ternary rare earth sulfides

International Nuclear Information System (INIS)

Plug, C.M.; Rijksuniversiteit Leiden

1977-01-01

The results of magnetic measurements on two groups of ternary rare earth sulphides are described, the MLnS 2 (M=Li, Na, K) type of compounds and the series Ln 2 ZrS 5 , where Ln denotes one of the rare earths. None of these compounds is metallic, excluding the possibility of RKKY-interaction. In chapter II a survey of the relevant theory on magnetic properties and crystal field splitting is given. In spite of the similarity in chemical properties of the rare earths, the crystal chemistry of their compounds is rather complex. This is due to the lanthanide contraction. The third chapter deals with the description and classification of the numerous crystal structures of both ternary and binary rare earth sulphides that have been observed. Rather simple relations between various structures are presented using a new method of structure classification. The magnetic interactions expected to be based on superexchange via the anions, which is usually very structure dependent. Experiments to study the crystallographic ordering, applying both X-ray and electron diffraction methods and the results of the magnetic measurements on the compounds MLnS 2 are reported in chapter IV. The compounds Ln 2 ZrS 5 are candidates for a systematic study of the variation of the magnetic properties along the rare earth series. The results of magnetic measurements on these compounds are presented in chapter V, combined with the results of specific heat measurements. Also the magnetic structure of two representatives, Tb 2 ZrS 5 and Dy 2 ZrS 5 , determined by neutron diffraction experiments below the ordering temperature, is reported

Formation of Ti--Zr--Cu--Ni bulk metallic glasses

International Nuclear Information System (INIS)

Lin, X.H.; Johnson, W.L.

1995-01-01

Formation of bulk metallic glass in quaternary Ti--Zr--Cu--Ni alloys by relatively slow cooling from the melt is reported. Thick strips of metallic glass were obtained by the method of metal mold casting. The glass forming ability of the quaternary alloys exceeds that of binary or ternary alloys containing the same elements due to the complexity of the system. The best glass forming alloys such as Ti 34 Zr 11 Cu 47 Ni 8 can be cast to at least 4-mm-thick amorphous strips. The critical cooling rate for glass formation is of the order of 250 K/s or less, at least two orders of magnitude lower than that of the best ternary alloys. The glass transition, crystallization, and melting behavior of the alloys were studied by differential scanning calorimetry. The amorphous alloys exhibit a significant undercooled liquid region between the glass transition and first crystallization event. The glass forming ability of these alloys, as determined by the critical cooling rate, exceeds what is expected based on the reduced glass transition temperature. It is also found that the glass forming ability for alloys of similar reduced glass transition temperature can differ by two orders of magnitude as defined by critical cooling rates. The origins of the difference in glass forming ability of the alloys are discussed. It is found that when large composition redistribution accompanies crystallization, glass formation is enhanced. The excellent glass forming ability of alloys such as Ti 34 Zr 11 Cu 47 Ni 8 is a result of simultaneously minimizing the nucleation rate of the competing crystalline phases. The ternary/quaternary Laves phase (MgZn 2 type) shows the greatest ease of nucleation and plays a key role in determining the optimum compositions for glass formation. copyright 1995 American Institute of Physics

Synthesis and properties of ternary mixture of nickel/cobalt/tin oxides for supercapacitors

Science.gov (United States)

Ferreira, C. S.; Passos, R. R.; Pocrifka, L. A.

2014-12-01

The present study reports the synthesis and morphological, structural and electrochemical characterization of ternary oxides mixture containing nickel, cobalt and tin. The ternary oxide is synthesized by Pechini method with subsequent deposition onto a titanium substrate in a thin-film form. XRD and EDS analysis confirm the formation of ternary film with amorphous nature. SEM analysis show that cracks on the film favor the gain of the surface area that is an interesting feature for electrochemical capacitors. The ternary film is investigated in KOH electrolyte solution using cyclic voltammetry and charge-discharge study with a specific capacitance of 328 F g-1, and a capacitance retention of 86% over 600 cycles. The values of specific power and specific energy was 345.7 W kg-1 and 18.92 Wh kg-1, respectively.

Self-triggered coordination with ternary controllers

NARCIS (Netherlands)

De Persis, Claudio; Frasca, Paolo

2012-01-01

This paper regards coordination of networked systems with ternary controllers. We develop a hybrid coordination system which implements a self-triggered communication policy, based on polling the neighbors upon need. We prove that the proposed scheme ensures finite-time convergence to a neighborhood

Excess enthalpies of ternary mixtures of oxygenated additives + hydrocarbon mixtures in fuels and bio-fuels: Dibutyl ether (DBE) and 1-butanol and 1-hexene or cyclohexane or 2,2,4 trimethylpentane at 298.15 K and 313.15 K

International Nuclear Information System (INIS)

Aguilar, Fernando; Alaoui, Fatima E.M.; Segovia, José J.; Montero, Eduardo A.

2013-01-01

Highlights: ► New excess enthalpy data for ternary mixtures of dibutyl ether + hydrocarbon + 1-butanol are reported. ► Four ternary systems at 298.15 K and 313.15 K were measured by means of an isothermal flow calorimeter. ► 420 Data were fitted to a Redlich–Kister rational equation. ► Intermolecular and association effects involved in these systems have been discussed. - Abstract: New experimental excess molar enthalpy data (420 points) of the ternary systems dibutyl ether (DBE) and 1-butanol and 1-hexene at 298.15 K and 313.15 K, and DBE and 1-butanol and cyclohexane or 2,2,4-trimethylpentane (TMP) at 313.15 K at atmospheric pressure are reported. A quasi-isothermal flow calorimeter has been used to make the measurements. All the ternary systems show endothermic character. The experimental data for the ternary systems have been fitted using the Redlich–Kister rational equation. Considerations with respect the intermolecular interactions amongst ether, alcohol and hydrocarbon compounds are presented.

Cladding failure margins for metallic fuel in the integral fast reactor

International Nuclear Information System (INIS)

Bauer, T.H.; Fenske, G.R.; Kramer, J.M.

1987-01-01

The Integral Fast Reactor (IFR) concept being developed at Argonne National Laboratory has prompted a renewed interest in uranium-based metal alloys as a fuel for sodium-cooled fast reactors. In this paper we will present recent measurements of cladding eutectic penetration rates for the ternary IFR alloy and will compare these results with earlier eutectic penetration data for other fuel and cladding materials. A method for calculating failure of metallic fuel pins is developed by combining cladding deformation equations with a large strain analysis where the hoop stress is calculated using the instantaneous wall thickness as determined from correlations of the eutectic penetration-rate data. This method is applied to analyze the results of in-reactor and out-of-reactor fuel pin failure tests on uranium-fissium alloy EBR-II Mark-II driver fuel. In the final section of this paper we extend the calculations to consider the failure of IFR ternary fuel under reactor accident conditions. (orig./GL)

Cladding failure margins for metallic fuel in the integral fast reactor

International Nuclear Information System (INIS)

Bauer, T.H.; Fenske, G.R.; Kramer, J.M.

1987-01-01

The reference fuel for Integral Fast Reactor (IFR) is a ternary U-Pu-Zr alloy with a low swelling austenitic or ferritic stainless steel cladding. It is known that low melting point eutectics may form in such metallic fuel-cladding systems which could contribute to cladding failure under accident conditions. This paper will present recent measurements of cladding eutectic penetration rates for the ternary IFR alloy and will compare these results with earlier eutectic penetration data for other fuel and cladding materials. A method for calculating failure of metallic fuel pins is developed by combining cladding deformation equations with a large strain analysis where the hoop stress is calculated using the instantaneous wall thickness as determined from correlations of the eutectic penetration-rate data. This method is applied to analyze the results of in-reactor and out-of-reactor fuel pin failure tests on uranium-fissium alloy EBR-II Mark-II driver fuel

Methods of Blood Oxygen Level-Dependent Magnetic Resonance Imaging Analysis for Evaluating Renal Oxygenation

Directory of Open Access Journals (Sweden)

Fen Chen

2018-03-01

Full Text Available Blood oxygen level-dependent magnetic resonance imaging (BOLD MRI has recently been utilized as a noninvasive tool for evaluating renal oxygenation. Several methods have been proposed for analyzing BOLD images. Regional ROI selection is the earliest and most widely used method for BOLD analysis. In the last 20 years, many investigators have used this method to evaluate cortical and medullary oxygenation in patients with ischemic nephropathy, hypertensive nephropathy, diabetic nephropathy, chronic kidney disease (CKD, acute kidney injury and renal allograft rejection. However, clinical trials of BOLD MRI using regional ROI selection revealed that it was difficult to distinguish the renal cortico-medullary zones with this method, and that it was susceptible to observer variability. To overcome these deficiencies, several new methods were proposed for analyzing BOLD images, including the compartmental approach, fractional hypoxia method, concentric objects (CO method and twelve-layer concentric objects (TLCO method. The compartmental approach provides an algorithm to judge whether the pixel belongs to the cortex or medulla. Fractional kidney hypoxia, measured by using BOLD MRI, was negatively correlated with renal blood flow, tissue perfusion and glomerular filtration rate (GFR in patients with atherosclerotic renal artery stenosis. The CO method divides the renal parenchyma into six or twelve layers of thickness in each coronal slice of BOLD images and provides a R2* radial profile curve. The slope of the R2* curve associated positively with eGFR in CKD patients. Indeed, each method invariably has advantages and disadvantages, and there is generally no consensus method so far. Undoubtedly, analytic approaches for BOLD MRI with better reproducibility would assist clinicians in monitoring the degree of kidney hypoxia and thus facilitating timely reversal of tissue hypoxia.

Ternary iron(II) complex with an emissive imidazopyridine arm from Schiff base cyclizations and its oxidative DNA cleavage activity

OpenAIRE

Mukherjee, Arindam; Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R

2005-01-01

The ternary iron(II) complex [Fe(L')(L")] $(PF_6)_3(1)$ as a synthetic model for the bleomycins, where L' and L" are formed from metal-mediated cyclizations of N,N -(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)(L), is synthesized and structurally characterized by X-ray crystallography. In the six-coordinate iron(II) complex, ligands L' and L" show tetradentate and bidentate chelating modes of bonding. Ligand L' is formed from an intramolecular attack of the alcoholic OH group of L to o...

INVESTIGATION OF HEAVY METAL CONTAMINATION IN THE ROADSIDE SOIL AT MORENA DISTRICT IN INDIA

OpenAIRE

Laxmi Kant Sharma

2016-01-01

Pollution of natural environment due to release of heavy metals from various sources is a widespread problem throughout the world. This study explains the effect of heavy metal contaminants in Roadside soil of Morena district. Twelve air dried surface soil samples were collected from 50cm – 1m (point A) and twelve from 30m (point B) away from the roadside along a road with a distance of 50 km. Heavy metals were found in both points with highest concentration at 50cm – 1m (point A). Roadside s...

Phase Equilibria of Sn-Co-Cu Ternary System

Science.gov (United States)

Chen, Yu-Kai; Hsu, Chia-Ming; Chen, Sinn-Wen; Chen, Chih-Ming; Huang, Yu-Chih

2012-10-01

Sn-Co-Cu ternary alloys are promising lead-free solders, and isothermal sections of Sn-Co-Cu phase equilibria are fundamentally important for the alloys' development and applications. Sn-Co-Cu ternary alloys were prepared and equilibrated at 523 K, 1073 K, and 1273 K (250 °C, 800 °C, and 1000 °C), and the equilibrium phases were experimentally determined. In addition to the terminal solid solutions and binary intermetallic compounds, a new ternary compound, Sn3Co2Cu8, was found. The solubilities of Cu in the α-CoSn3 and CoSn2 phases at 523 K (250 °C) are 4.2 and 1.6 at. pct, respectively, while the Cu solubility in the α-Co3Sn2 phase is as high as 20.0 at. pct. The Cu solubility increases with temperature and is around 30.0 at. pct in the β-Co3Sn2 at 1073 K (800 °C). The Co solubility in the η-Cu6Sn5 phase is also significant and is 15.5 at. pct at 523 K (250 °C).

Predicting the stability of ternary intermetallics with density functional theory and machine learning

Science.gov (United States)

Schmidt, Jonathan; Chen, Liming; Botti, Silvana; Marques, Miguel A. L.

2018-06-01

We use a combination of machine learning techniques and high-throughput density-functional theory calculations to explore ternary compounds with the AB2C2 composition. We chose the two most common intermetallic prototypes for this composition, namely, the tI10-CeAl2Ga2 and the tP10-FeMo2B2 structures. Our results suggest that there may be ˜10 times more stable compounds in these phases than previously known. These are mostly metallic and non-magnetic. While the use of machine learning reduces the overall calculation cost by around 75%, some limitations of its predictive power still exist, in particular, for compounds involving the second-row of the periodic table or magnetic elements.

Phase relationships in the Er-Mn-Ti ternary system at 773 K

International Nuclear Information System (INIS)

Liu Jingqi; Wang Xina; Tang Mengqi; Su Kunpeng; Yang Xiaomao; Li Chunhui; Li Xueqiang

2009-01-01

The Phase relationship in the Er-Mn-Ti ternary system at 773 K has been investigated by X-ray powder diffraction analysis with the aid of differential thermal analysis and optical microanalysis techniques in this work. The existence of eight binary compounds Mn 15 Ti 85, αMnTi, βMnTi, Mn 2 Ti, Mn 5 Ti, ErMn 12, Er 6 Mn 23 and ErMn 2 has been confirmed at 773 K in this system. The maximum solid solubility of Ti in Mn is about 8 at%Ti. The homogeneity range of Mn 2 Ti extends from about 31 at% to 39 at% Ti. The maximum solid solubility of Er in Mn 2 Ti phase is about less than 1 at% Er. No ternary compounds were found in this ternary system at 773K. At 773 K, the isothermal section of phase diagram of Er-Mn-Ti ternary system consists of 11 single-phase regions, 19 two-phase regions and 9 three-phase regions.

Mechanochemically prepared ternary hybrid cathode material for lithium batteries

International Nuclear Information System (INIS)

Posudievsky, Oleg Yu; Kozarenko, Olga A.; Dyadyun, Vyacheslav S.; Jorgensen, Scott W.; Spearot, James A.; Koshechko, Vyacheslav G.; Pokhodenko, Vitaly D.

2013-01-01

Graphical abstract: The presence of macromolecules of an ion-conducting polymer in the composition of the ternary nanocomposite PPy–PEO/V 2 O 5 promotes interfacial transfer of lithium ions and also facilitates faster transport inside the particles of the nanocomposite. -- Highlights: • Two- and three component nanocomposites are prepared via a solvent-free mechanochemical synthesis. • The nanocomposites retain their capacity above 200 mA h g −1 for at least one hundred cycles. • The presence of PEO promotes interfacial transfer of lithium ions and facilitates faster transport inside the nanocomposite. -- Abstract: Ternary host–guest nanocomposite based on vanadium oxide and two polymers with different types of conductivity (ionic and electronic) – polypyrrole (PPy) and polyethylene oxide (PEO) – is prepared by solventless mechanochemical synthesis. The nanocomposite can be reversibly cycled with a specific capacity of ∼200 mA h g −1 for at least one hundred cycles of full charge–discharge as the active component of the positive electrode of lithium batteries. Electrochemical performance of ternary PPy 0.1 PEO 0.15 V 2 O 5 is compared with two-component analog PPy 0.1 V 2 O 5 . The presence of macromolecules of an ion-conducting polymer in the composition of the ternary nanocomposite PPy 0.1 PEO 0.15 V 2 O 5 promotes interfacial transfer of lithium ions and also facilitates faster transport inside the particles of the nanocomposite

Improvements in or relating to processes for reducing the oxygen content of metal oxides

International Nuclear Information System (INIS)

James, R.H.; Spooner, J.A.

1980-01-01

A process is described for reducing the oxygen content of a metal oxide material (such as an intimate mixture of uranium and plutonium oxides or a mixed oxide of uranium and plutonium) by contacting the material with a hydrogen-containing gas at an elevated temperature, wherein the material is contained in a plurality of carbon crucibles, each crucible having apertured ends and being otherwise a closed vessel, the crucibles being moved through a heated zone in end-to-end contact and thereby forming a duct through which the gas is passed counter-current to the direction of movement of the crucibles. (author)

Affine planes, ternary rings, and examples of non-Desarguesian planes

OpenAIRE

Ivanov, Nikolai V.

2016-01-01

The paper is devoted to a detailed self-contained exposition of a part of the theory of affine planes leading to a construction of affine (or, equivalently, projective) planes not satisfying the Desarques axiom. It is intended to complement the introductory expositions of the theory of affine and projective planes. A novelty of our exposition is a new notation for the ternary operation in a ternary ring, much more suggestive than the standard one.

Oxygen isotope exchange on palladium catalysts

International Nuclear Information System (INIS)

Kravchuk, L.S.; Beschetvertnaya, T.I.; Novorodskij, V.G.; Novikova, M.G.; Zaretskij, M.V.; Valieva, S.V.

1983-01-01

Oxygen heteromolecular isotope exchange on unreduced palladium catalysts, distingushing by metal content is studied. Content of 18 O in gaseous phase is eoual to 46%. Calculations of heteroexchange rates are conducted with decrease of the 18 O in the gaseous phase over solid sample. Method of oxygen thermodesorption has been used to establish that palladium, deposited on γ-Al 2 O 3 during exchange process is in oxidized state; in this case strength of Pd-O bond is determined by content dispersity) of the metal. It is shown that significant increase of exchange rate on the samples with Pd >> 0.5 mass.% content can be induced as by side decomposition reaction of its oxide and corresponding dilution of gaseous mixture by ''light'' oxygen so by possibility of exchange with oxygen of PdO phase

Oxygen-reducing catalyst layer

Science.gov (United States)

O'Brien, Dennis P [Maplewood, MN; Schmoeckel, Alison K [Stillwater, MN; Vernstrom, George D [Cottage Grove, MN; Atanasoski, Radoslav [Edina, MN; Wood, Thomas E [Stillwater, MN; Yang, Ruizhi [Halifax, CA; Easton, E Bradley [Halifax, CA; Dahn, Jeffrey R [Hubley, CA; O'Neill, David G [Lake Elmo, MN

2011-03-22

An oxygen-reducing catalyst layer, and a method of making the oxygen-reducing catalyst layer, where the oxygen-reducing catalyst layer includes a catalytic material film disposed on a substrate with the use of physical vapor deposition and thermal treatment. The catalytic material film includes a transition metal that is substantially free of platinum. At least one of the physical vapor deposition and the thermal treatment is performed in a processing environment comprising a nitrogen-containing gas.

Chemistry of the metal-polymer interfacial region.

Science.gov (United States)

Leidheiser, H; Deck, P D

1988-09-02

In many polymer-metal systems, chemical bonds are formed that involve metal-oxygen-carbon complexes. Infrared and Mössbauer spectroscopic studies indicate that carboxylate groups play an important role in some systems. The oxygen sources may be the polymer, the oxygen present in the oxide on the metal surface, or atmospheric oxygen. Diffusion of metal ions from the substrate into the polymer interphase may occur in some systems that are cured at elevated temperatures. It is unclear whether a similar, less extensive diffusion occurs over long time periods in systems maintained at room temperature. The interfacial region is dynamic, and chemical changes occur with aging at room temperature. Positron annihilation spectroscopy may have application to characterizing the voids at the metal-polymer interface.

Synthesis of metal-metal oxide catalysts and electrocatalysts using a metal cation adsorption/reduction and adatom replacement by more noble ones

Science.gov (United States)

Adzic, Radoslav; Vukmirovic, Miomir; Sasaki, Kotaro

2010-04-27

The invention relates to platinum-metal oxide composite particles and their use as electrocatalysts in oxygen-reducing cathodes and fuel cells. The invention particularly relates to methods for preventing the oxidation of the platinum electrocatalyst in the cathodes of fuel cells by use of these platinum-metal oxide composite particles. The invention additionally relates to methods for producing electrical energy by supplying such a fuel cell with an oxidant, such as oxygen, and a fuel source, such as hydrogen. The invention also relates to methods of making the metal-metal oxide composites.

Mechanism of ternary breakup in the reaction 197Au+197Au at 15A MeV

International Nuclear Information System (INIS)

Tian Junlong; Wu Xizhen; Li Zhuxia; Zhao Kai; Zhang Yingxun; Li Xian; Yan Shiwei

2010-01-01

The mechanism of the ternary breakup of the very heavy system 197 Au+ 197 Au at an energy of 15A MeV has been studied by using the improved quantum molecular dynamics model. The calculation results reproduce the characteristic features in ternary breakup events explored in a series of experiments; i.e., the masses of three fragments are comparable in size and the very fast, nearly collinear breakup of the colliding system is dominant in the ternary breakup events. Further, the evolution of the time scales of different ternary reaction modes and the behavior of mass distributions of three fragments with impact parameters are studied. The time evolution of the configurations of the composite reaction systems is also studied. We find that for most of the ternary breakup events with the features found in the experiments, the configuration of the composite system has two-preformed-neck shape. The study shows that those ternary breakup events having the characteristic features found in the experiments happen at relatively small impact parameter reactions, but not at peripheral reactions. The ternary breakup reaction at peripheral reactions belongs to binary breakup with a neck emission.

Atomic-level structures and physical properties of magnetic CoSiB metallic glasses

International Nuclear Information System (INIS)

Shan, Guangcun; Liang Zhang, Ji; Li, Jiong; Zhang, Shuo; Jiang, Zheng; Huang, Yuying; Shek, Chan-Hung

2014-01-01

Two CoSiB metallic glasses of low Co contents, which consist of different clusters, have recently been developed by addition of solute atoms. In this work, the atomic structure and the magnetic properties of the two CoBSi metallic glasses were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) computational techniques. Besides, the origin of these magnetic behaviors was discussed in view of the EXAFS results and atomic structures of the metallic glasses. - Graphical abstract: The atomic structure and the origins of the magnetic properties of two ternary CoBSi metallic glasses were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) techniques. - Highlights: • The atomic structure and the origins of the magnetic properties of two ternary CoBSi metallic glasses were revealed. • The atomic structures were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) techniques. • The experimental spectra were in good agreement with the predictions of ab initio full multiple scattering theory using the FEFF8.4 code. • The origin of these magnetic behaviors was discussed in view of the EXAFS results and atomic structures of the metallic glasses. • These two metallic glasses consist of different clusters, and hence different magnetic properties, which are dominated by short-range orders (SROs)

Oxidation of ruthenium thin films using atomic oxygen

Energy Technology Data Exchange (ETDEWEB)

McCoy, A.P.; Bogan, J.; Brady, A.; Hughes, G.

2015-12-31

In this study, the use of atomic oxygen to oxidise ruthenium thin films is assessed. Atomic layer deposited (ALD) ruthenium thin films (~ 3 nm) were exposed to varying amounts of atomic oxygen and the results were compared to the impact of exposures to molecular oxygen. X-ray photoelectron spectroscopy studies reveal substantial oxidation of metallic ruthenium films to RuO{sub 2} at exposures as low as ~ 10{sup 2} L at 575 K when atomic oxygen was used. Higher exposures of molecular oxygen resulted in no metal oxidation highlighting the benefits of using atomic oxygen to form RuO{sub 2}. Additionally, the partial oxidation of these ruthenium films occurred at temperatures as low as 293 K (room temperature) in an atomic oxygen environment. - Highlights: • X-ray photoelectron spectroscopy study of the oxidation of Ru thin films • Oxidation of Ru thin films using atomic oxygen • Comparison between atomic oxygen and molecular oxygen treatments on Ru thin films • Fully oxidised RuO{sub 2} thin films formed with low exposures to atomic oxygen.

Synthesis of self-supported non-precious metal catalysts for oxygen reduction reaction with preserved nanostructures from the polyaniline nanofiber precursor

DEFF Research Database (Denmark)

Hu, Yang; Zhao, Xiao; Huang, Yunjie

2013-01-01

Non-precious metal catalysts (NPMCs) for the oxygen reduction reaction (ORR) are an active subject of recent research on proton exchange membrane fuel cells. In this study, we report a new approach to preparation of self-supported and nano-structured NPMCs using pre-prepared polyaniline (PANI...

Ternary particles with extreme N/Z ratios from neutron-induced fission

Energy Technology Data Exchange (ETDEWEB)

Koster, U.; Faust, H.; Friedrichs, T.; Oberstedt, S.; Fioni, G.; Grob, M.; Ahmad, I. J.; Devlin, M.; Heinz, A.; Kondev, F. G.; Lauritsen, T.; Sarantites, D. G.; Siem, S.; Sobotka, L. G.; Sonzogni, A.

2000-05-16

The existing ternary fission models can well reproduce the yields of the most abundant light charged particles. However, these models tend to significantly overestimate the yields of ternary particles with an extreme N/Z ratio: {sup 3}He, {sup 11}Li, {sup 14}Be, etc. The experimental yields of these isotopes were investigated with the recoil separator LOHENGRIN down to a level of 10{sup {minus}10} per fission. Results from the fissioning systems {sup 233}U (n{sub th}, f), {sup 235}U(n{sub th},f), {sup 239}Pu(n{sub th},f) {sup 241}Pu(n{sub th},f) and {sup 245}Cm(n{sub th},f) are presented and the implications for the ternary fission models are discussed.

Measuring probe and method for determining the oxygen content in gases, vapors, and liquids, especially in liquid metals

International Nuclear Information System (INIS)

Sundermann, H.; Andrae, U.

1978-01-01

The invention is concerned with the improvement of the measuring probe described in the main patent no. 1798002 with which the oxygen content in liquid metals, e.g. Na, is to be determined. In order to avoid the glass stopper shutting off the reference space having to be ground out it is proposed to connect the solid electrolyte firmly and hermetically with a metallic mounting support (e.g. Fe-Co-Ni alloy), having got the same thermal coefficient of expansion as the solid electrolyte (e.g. zirconium dioxide stabilized with ythium oxide or thorium dioxide). Further details of the design are very explicitly described. (HP) [de

A framework for analysing relationships between chemical composition and crystal structure in metal oxides

International Nuclear Information System (INIS)

Thomas, N.W.

1991-01-01

A computer program has been written to characterize the coordination polyhedra of metal cations in terms of their volumes and polyhedral elements, i.e. corners, edges and faces. The sharing of these corners, edges and faces between polyhedra is also quantitatively monitored. In order to develop the methodology, attention is focused on ternary oxides containing the Al 3+ ion, whose structures were retrieved from the Inorganic Crystal Structure Database (ICSD). This also permits an objective assessment of the applicability of Pauling's rules. The influence of ionic valence on the structures of these compounds is examined, by calculating electrostatic bond strengths. Although Pauling's second rule is not supported in detail, the calculation of oxygen-ion valence reveals a basic structural requirement, that the average calculated oxygen-ion valence in any ionic oxide structure is equal to 2. The analysis is further developed to define a general method for the prediction of novel chemical compositions likely to adopt a given desired structure. The polyhedral volumes of this structure are calculated, and use is made of standard ionic radii for cations in sixfold coordination. The electroneutrality principle is invoked to take valence considerations into account. This method can be used to guide the development of new compositions of ceramic materials with certain desirable physical properties. (orig.)

Characterization of carbon, nitrogen, oxygen and refractory metals in binary and ternary silicon-based films using ion beam methods; Caracterisation des elements: carbone, azote, oxygene et metal refractaire dans des depots binaires et ternaires a base de silicium par methodes d'analyse utilisant les faisceaux d'ions

Energy Technology Data Exchange (ETDEWEB)

Somatri-Bouamrane, R. [Lyon-1 Univ., 69 - Villeurbanne (France). Inst. de Physique Nucleaire]|[Universite Claude Bernard, 69 - Lyon (France)

1996-12-19

Ion beam methods (non Rutherford backscattering, nuclear reactions) have been carried out in order to characterize silicon-based films. The cross sections for the reactions {sup 12}C({alpha},{alpha}), {sup 14}N({alpha},{alpha}), {sup 16}O({alpha},{alpha}), {sup 28}Si({alpha},{alpha}) and {sup 14}N({alpha},p) have been measured within 2 and 7 MeV. CVD beta SiC films could be analyzed and the interface between silicon carbide and the (100) silicon substrate was studied. The epitaxial growth of the beta SiC film could be modelled by comparing the results obtained with ion beam analysis, infrared spectroscopy and electron microscopy. Moreover, the stoichiometry of low pressure CVD Me-Si-N (Me=Re, W, Ti, Ta) ternary systems was studied. The evolution of the nitrogen content in W-Si-N systems allowed to study their stability with respect to the annealing conditions. (N.T.)

Experimental and predicted refractive index properties in ternary mixtures of associated liquids

International Nuclear Information System (INIS)

Sechenyh, Vitaliy V.; Legros, Jean-Claude; Shevtsova, Valentina

2011-01-01

Highlights: → Measurements of refractive indices of 200 different aqueous ternary mixtures have been performed for two wave lengths. → Refractive indices of the associated ternary mixtures can be modeled with a relative error of about 0.9. → Difference between experimental and calculated derivatives of refractive index with concentration is unsatisfactory large. - Abstract: Refractive indices of ternary mixtures formed by (water + ethanol + k-ethylene glycol) (when k is mono, di or tri) and (water + t-butanol + dimethyl sulfoxide) are presented over a wide range of mixture compositions. All measurements have been conducted at 298.15 K and atmospheric pressure using two light sources: one in the visible (λ = 670 nm) and the other in the infrared (λ = 925 nm) spectrum. The performance of several mixing rules that are commonly used in modeling optical constants are examined. We demonstrate that the refractive indices of the associated ternary mixtures can be modeled with a relative error of about 0.9% by using the thermodynamical properties of the pure components. The concentration derivatives of the refractive index are an important parameter, as they are required for different experimental techniques. These derivatives have been determined from the experimental data on refractive indices. However, applying mixing rules for calculation of the derivatives of the refractive indices with respect to concentrations does not provide satisfactory results in the case of ternary mixtures of associated liquids.