WorldWideScience

Sample records for based ternary compounds

  1. Crystal structure prediction and electronic properties of Li-based ternary compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vergniory, Maia G.; Sanna, Antonio; Ernst, Arthur; Romero, Aldo H.; Gross, Eberhard K.U. [Max Planck Institute of Microstructure Physics, 06120 Halle (Germany); Marques, Miguel A.L.; Botti, Silvana; Valencia, Irais [Universite de Lyon, F-69000 Lyon, France and LPMCN, CNRS, UMR 5586, Universite Lyon 1, F-69622 Villeurbanne (France); Amsler, Max; Goedecker, Stefan [Department of Physics, Universitaet Basel, Klingelbergstr. 82, 4056 Basel (Switzerland); Chulkov, Evgueni V. [Donostia International Physics Center, 20018 Donostia-San Sebastian (Spain)

    2013-07-01

    On the basis of ab initio first principles and using the Minimal Hopping Algorithm we predict the crystal structure of non synthesized LiYZ (Y=Au,Ag, Z=Te,Se) based ternary compounds. We find that, as distinct from expectation, the crystal structure depends strongly on the composition, thus every compound belongs to a different symmetry group and has complexly different electronic properties. We analyze the fundamental physics below these features considering the calculated ground state structure.

  2. Ternary alloys based on II-VI semiconductor compounds

    CERN Document Server

    Tomashyk, Vasyl; Shcherbak, Larysa

    2013-01-01

    Phase Equilibria in the Systems Based on ZnSSystems Based on ZnSeSystems Based on ZnTeSystems Based on CdSSystem Based on CdSeSystem Based on CdTeSystems Based on HgSSystems Based on HgSeSystems Based on HgTeIndexReferences appear at the end of each chapter.

  3. Towards tailoring the magnetocaloric response in FeRh-based ternary compounds

    Science.gov (United States)

    Barua, Radhika; Jiménez-Villacorta, Félix; Lewis, L. H.

    2014-05-01

    In this work, we demonstrate that the magnetocaloric response of FeRh-based compounds may be tailored for potential magnetic refrigeration applications by chemical modification of the FeRh lattice. Alloys of composition Fe(Rh1-xAx) or (Fe1-xBx)Rh (A = Cu, Pd; B = Ni; 0 FeRh-based systems were determined using isothermal M(H) curves measured in the vicinity of the magnetostructural temperature (Tt). It is found that the FeRh working temperature range (δTFWHM) may be chemically tuned over a wide temperature range, 100 K ≤ T ≤ 400 K. While elemental substitution consistently decreases the magnetic entropy change (ΔSmag) of the FeRh-based ternary alloys from that of the parent FeRh compound (ΔSmag,FeRh ˜ 17 J/kg K; ΔSmag,FeRh-ternary = 7-14 J/kg K at Happ = 2 T), the net refrigeration capacity (RC), defined as the amount of heat that can be transferred during one magnetic refrigeration cycle, of the modified systems is significantly higher (RCFeRh ˜ 150 J/kg; RCFeRh-ternary = 170-210 J/kg at Happ = 2 T). These results are attributed to stoichiometry-induced changes in the FeRh electronic band structure and beneficial broadening of the magnetostructural transition due to local chemical disorder.

  4. Towards tailoring the magnetocaloric response in FeRh-based ternary compounds

    International Nuclear Information System (INIS)

    In this work, we demonstrate that the magnetocaloric response of FeRh-based compounds may be tailored for potential magnetic refrigeration applications by chemical modification of the FeRh lattice. Alloys of composition Fe(Rh1−xAx) or (Fe1−xBx)Rh (A = Cu, Pd; B = Ni; 0 t). It is found that the FeRh working temperature range (δTFWHM) may be chemically tuned over a wide temperature range, 100 K ≤ T ≤ 400 K. While elemental substitution consistently decreases the magnetic entropy change (ΔSmag) of the FeRh-based ternary alloys from that of the parent FeRh compound (ΔSmag,FeRh ∼ 17 J/kg K; ΔSmag,FeRh-ternary = 7–14 J/kg K at Happ = 2 T), the net refrigeration capacity (RC), defined as the amount of heat that can be transferred during one magnetic refrigeration cycle, of the modified systems is significantly higher (RCFeRh ∼ 150 J/kg; RCFeRh-ternary = 170–210 J/kg at Happ = 2 T). These results are attributed to stoichiometry-induced changes in the FeRh electronic band structure and beneficial broadening of the magnetostructural transition due to local chemical disorder

  5. Towards tailoring the magnetocaloric response in FeRh-based ternary compounds

    Energy Technology Data Exchange (ETDEWEB)

    Barua, Radhika, E-mail: barua.r@husky.neu.edu; Jiménez-Villacorta, Félix; Lewis, L. H. [Department of Chemical Engineering, Northeastern University, Boston, Massachusetts 02115 (United States)

    2014-05-07

    In this work, we demonstrate that the magnetocaloric response of FeRh-based compounds may be tailored for potential magnetic refrigeration applications by chemical modification of the FeRh lattice. Alloys of composition Fe(Rh{sub 1−x}A{sub x}) or (Fe{sub 1−x}B{sub x})Rh (A = Cu, Pd; B = Ni; 0 < x < 0.06) were synthesized via arc-melting and subsequent annealing in vacuum at 1000 °C for 48 h. The magnetocaloric properties of the FeRh-based systems were determined using isothermal M(H) curves measured in the vicinity of the magnetostructural temperature (T{sub t}). It is found that the FeRh working temperature range (δT{sub FWHM}) may be chemically tuned over a wide temperature range, 100 K ≤ T ≤ 400 K. While elemental substitution consistently decreases the magnetic entropy change (ΔS{sub mag}) of the FeRh-based ternary alloys from that of the parent FeRh compound (ΔS{sub mag},{sub FeRh} ∼ 17 J/kg K; ΔS{sub mag,FeRh-ternary =} 7–14 J/kg K at H{sub app} = 2 T), the net refrigeration capacity (RC), defined as the amount of heat that can be transferred during one magnetic refrigeration cycle, of the modified systems is significantly higher (RC{sub FeRh} ∼ 150 J/kg; RC{sub FeRh-ternary =} 170–210 J/kg at H{sub app} = 2 T). These results are attributed to stoichiometry-induced changes in the FeRh electronic band structure and beneficial broadening of the magnetostructural transition due to local chemical disorder.

  6. Crystal structure and superconductivity in the Ni-based ternary compound LaNiSi

    International Nuclear Information System (INIS)

    With powder-x-ray-diffraction methods, the ternary compound LaNiSi has been identified to have a LaPtSi-type crystal structure with four formula units in a unit cell of the space group I41md with dimensions a=4.181(1) A, c=14.069(8) A. The agreement of the transition temperature Tc=1.20∼1.26 K (10∼90 % values) measured by ac-susceptibility and heat-capacity techniques provides clear evidence of bulk superconductivity in LaNiSi. The normal-state specific-heat data can be fit to the expression Cn=γT+βT3 by a least-squares analysis, where γ=8.89 mJ/mol K2 and β=0.487 mJ/mol K4, resulting in a Debye temperature ΘD=229 K. Below Tc, the specific-heat data have a dominant low-temperature behavior of the form exp[-Δ(0)/kBT], where the order parameter 2Δ(0)=3.5kBTc. In addition, the measured heat-capacity jump ΔC at the transition point is found to be equal to 1.46γTc, implying that LaNiSi is a weakly coupled superconductor

  7. New cobalt-based intermetallic compound Co2VMn with B2 structure and phase equilibria in the Co–V–Mn ternary system

    International Nuclear Information System (INIS)

    Highlights: • Four isothermal sections of the Co–V–Mn system were experimentally determined. • The new ternary intermetallic compound Co2VMn with B2 structure was found. • The magnetic properties and thermal stability of Co2VMn phase were investigated. - Abstract: The phase equilibria in the Co–V–Mn ternary system, the magnetic properties and the phase stability of the new ternary intermetallic compound Co2VMn were investigated by means of electron probe microanalyzer, X-ray diffraction, differential scanning calorimetry and the vibrating sample magnetometer. Four isothermal sections of the Co–V–Mn ternary system at 1073 K, 1273 K, 1373 K and 1473 K were experimentally established, and a new ternary intermetallic compound named Co2VMn was found in the Co–V–Mn system. The Curie temperature of the Co2VMn phase was found to be about 670 K. In addition, the saturation magnetization at room temperature for alloy with B2 structure was measured to be about 145.1 emu/g, while the coercivity was about 2.8 Oe. The newly determined phase equilibria in this system will provide important information for the development of the Co-based functional materials and for the thermodynamic assessment of the Co–V–Mn ternary system

  8. Stability and electronic structure of Zr-based ternary metallic glasses and relevant compounds

    International Nuclear Information System (INIS)

    The electronic structure of the Zr-based metallic glasses has been investigated by theoretical and experimental approaches. One approach is band calculations of the Zr2Ni (Zr66.7Ni33.3) compound to investigate the electronic structure of the Zr66.7Ni33.3 metallic glass (ΔT x = 0 K) of which the local atomic structure is similar to that of the Zr2Ni compound. The other is photoemission spectroscopy of the Zr50Cu35Al15 bulk metallic glass (BMG) (ΔT x = 69 K). Here ΔT x = T x - T g where T x and T g are crystallization and glass transition temperature, respectively. Both results and previous ones on the Zr55Cu30Ni5Al10 BMG indicate that there is a pseudogap at the Fermi level in the electronic structure of these Zr-based metallic glasses, independent of the value of the ΔT x. This implies that the pseudogap at the Fermi level is one of the factors that stabilize the glass phase of Zr-based metallic glasses

  9. Structural characterization of thin films based on II-VI ternary compounds deposited by evaporation

    International Nuclear Information System (INIS)

    Thin films of Zn(S, Se) (Zn, In)Se and Cd(S, Te) compounds, deposited by evaporation were characterized through X-ray diffraction (XRD) measurements and analyzed with the help of a simulation program. The interest in studying these materials is due to their potential for photovoltaic applications, especially as buffer materials in Cu(In,Ga)Se2 (CIGS) and CdTe based solar cells. The XRD measurements allowed us to determine the effect of the chemical composition on the structure and lattice parameter, which must be known to predict an optimum mechanical match between the buffer and absorber layers; a good mechanical match improves the hetero-interface of the solar cell. The studies revealed that In-rich Zn xIn1-xSe films and Te-rich CdS xTe1-x films grow with hexagonal structure; however, their structure is changed to cubic when they become Zn-rich and Te-rich, respectively. On the contrary, the Zn xIn1-xSe films grow with cubic structure, independently of its chemical composition. It was also found that the variation of the chemical composition leads to a significant variation of the optical gap Eg, which was determined by extrapolation of the curve (αhν)2 vs. hν, assuming that, for this type of compounds, the relation αhν A(hν - Eg)1/2 is valid. It was observed, in the three type of compounds studied, that their Eg values increase with the decreasing of the lattice constant, which in turn varies according to Vegard's Law. Comparing the lattice parameters of the ZnS xSe1-x and Zn xIn1-xSe compounds, with those reported in the literature for Cu(In1-x,Ga x)Se2 thin films, helpful information was found to achieve a good lattice match between the studied II-VI compounds and the CIGS film

  10. Ferromagnetic quantum criticality in the uranium-based ternary compounds URhSi, URhAl, and UCoAl

    International Nuclear Information System (INIS)

    In this thesis we explore the ferromagnetic quantum criticality in three uranium-based ternary compounds, by means of thermodynamical and transport measurements on single crystal samples, at low temperature and high pressure. URhSi and URhAl are itinerant ferromagnets, while UCoAl is a paramagnet being close to a ferromagnetic instability. All of them have Ising-type magnetic ordering. In the orthorhombic compound URhSi, we show that the Curie temperature decreases upon applying a magnetic field perpendicular to the easy magnetization axis, and a quantum phase transition is expected around 40 T. In the hexagonal system URhAl, we establish the pressure-temperature phase diagram for the first time, indicating a quantum phase transition around 5 GPa. In the isostructural compound UCoAl, we investigate the metamagnetic transition with measurements of magnetization, Hall effect, resistivity and X-ray magnetic circular dichroism. Some intriguing magnetic relaxation phenomena are observed, with step-like features. Hall effect and resistivity have been measured at dilution temperatures, under hydrostatic pressure up to 2.2 GPa and magnetic field up to 16 T. The metamagnetic transition terminates under pressure and magnetic field at a quantum critical endpoint. In this region, a strong effective mass enhancement occurs, and an intriguing difference between up and down field sweeps appears in transverse resistivity. This may be the signature of a new phase, supposedly linked to the relaxation phenomena observed in magnetic measurements, arising from frustration on the quasi-Kagome lattice of uranium atoms in this crystal structure. (author)

  11. (Liquid + liquid) equilibrium at T = 298.15 K for ternary mixtures of alkane + aromatic compounds + imidazolium-based ionic liquids

    International Nuclear Information System (INIS)

    Highlights: • The LLE ternary phase diagrams with 2 imidazolium-based ionic liquids were measured. • The LLE data were experimental determined at T = 298.15 K and p = 1 atm. • Mixtures of (octane or nonane) and (benzene or toluene or ethylbenzene) were studied. • LLE experimental data were correlated with NRTL and UNIQUAC thermodynamic models. - Abstract: Ionic liquids, with their unique and tunable properties, can be an advantageous alternative as extractive solvents in separation processes involving systems containing aliphatic and aromatic hydrocarbons. In this work, (liquid + liquid) equilibrium (LLE) data for the ternary systems {nonane (1) + benzene (2) + 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [BMim][NTf2] (3)}, {octane (1) + benzene (2) + 1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide, [PMim][NTf2] (3)}, and {nonane (1) + aromatic compound (benzene or toluene or ethylbenzene) (2) + [PMim][NTf2] (3)} were determined at T = 298.15 K and atmospheric pressure. Selectivity and solute distribution ratio, derived from the equilibrium data, were used to determine if this ionic liquid can be considered as a potential solvent for the separation of aromatic compounds (benzene, toluene, and ethylbenzene) from alkanes (octane and nonane). The experimental data were satisfactorily correlated with NRTL and UNIQUAC models

  12. Crystal Growth of Ternary Compound Semiconductors in Low Gravity Environment

    Science.gov (United States)

    Su, Ching-Hua

    2014-01-01

    A low gravity material experiment will be performed in the Material Science Research Rack (MSRR) on International Space Station (ISS). There are two sections of the flight experiment: (I) crystal growth of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, by physical vapor transport (PVT) and (II) melt growth of CdZnTe by directional solidification. The main objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the grown crystals as results of buoyancy-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. This talk will focus on the ground-based studies on the PVT crystal growth of ZnSe and related ternary compounds. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

  13. Lattice anisotropy in uranium ternary compounds

    DEFF Research Database (Denmark)

    Maskova, S.; Adamska, A.M.; Havela, L.;

    2012-01-01

    Several U-based intermetallic compounds (UCoGe, UNiGe with the TiNiSi structure type and UNiAl with the ZrNiAl structure type) and their hydrides were studied from the point of view of compressibility and thermal expansion. Confronted with existing data for the compounds with the ZrNiAl structure...

  14. Regularities of Formation of Ternary Intermetallic Compound between Transition Elements

    Institute of Scientific and Technical Information of China (English)

    Lixiu YAO; Jie YANG; Chenzhou YE; Nianyi CHEN

    2001-01-01

    Four parameters, φ (electronegativity), nws1/3 (valence electron density in Wagner-Seitz cell),R (Pauling's metallic radius) and Z (number of valence electrons in atom), and the pattern recognition methods were used to investigate the regularities of formation of ternary intermetallic compounds between three transition elements. The obtained mathematical model expressed by some inequalities can be used as a criterion of ternary compound formation in "unknown" phase diagrams of alloy systems.

  15. Scandium Binary and Ternary Alloy Systems and Intermetallic Compounds

    OpenAIRE

    Kotur, Bogdan Ya.

    1998-01-01

    Scandium is the first d-element and a member of the rare earths family. The available data, published until the beginning of 1997, on scandium binary and ternary alloy systems and intermetallic compounds with other elements (with the exception of halogens, hydrogen, oxygen, sulphur and nitrogen) have been reviewed. Data about 65 binary and about 200 ternary systems have been generalized. The crystal chemical analysis of 462 investigated intermetallic compounds (out of 554 known to date) belon...

  16. Lattice anisotropy in uranium ternary compounds: UTX

    International Nuclear Information System (INIS)

    Highlights: ► Compressibility and thermal expansion of several U-based compounds were established. ► The direction of the U–U bonds is the “soft” crystallographic direction. ► Highest coefficient of linear thermal expansion is in the direction of the U–U bonds. ► The closer the U atoms are together the better they can be compressed together. - Abstract: Several U-based intermetallic compounds (UCoGe, UNiGe with the TiNiSi structure type and UNiAl with the ZrNiAl structure type) and their hydrides were studied from the point of view of compressibility and thermal expansion. Confronted with existing data for the compounds with the ZrNiAl structure type a common pattern emerges. The direction of the U–U bonds with participation of the 5f states is distinctly the “soft” crystallographic direction, exhibiting also the highest coefficient of linear thermal expansion. The finding leads to an apparent paradox: the closer the U atoms are together in a particular direction the better they can be additionally compressed together by applied hydrostatic pressure.

  17. 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.

  18. Neutron Damage and MAX Phase Ternary Compounds

    International Nuclear Information System (INIS)

    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.

  19. The study of ternary compound CuGaTe2

    International Nuclear Information System (INIS)

    By the two-temperature method large unit crystals of ternary compound CuGaTe2 were synthesized. The crystals were used to study specific electric conductivity and the Hall effect, heat conductivity, thermal expansion and optical transmission. The values of hole concentrations and their mobility, heat conductivity, thermal expansion factor and energy were determined

  20. Evaluation of Ternary Mobile Phases for the Analysis of Carbonyl Compound Derivatives Using High-Performance Liquid Chromatography

    OpenAIRE

    Duy Xuan Ho; Ki-Hyun Kim

    2011-01-01

    In this study, the feasibility of ternary mobile phases was examined in a high-performance liquid chromatography (HPLC)-based analysis of carbonyl compounds (CCs). To test the performance of different ternary phases, the liquid phase standards containing a 15 aldehyde/ketone-DNPH(o) mix were analyzed through a series of five-point calibration experiments. For this comparison, three types of ternary mobile phases were prepared initially by mixing water (W) with two of the following three organ...

  1. Superconductivity of ternary metal compounds prepared at high pressures

    CERN Document Server

    Shirotani, I

    2003-01-01

    Various ternary metal phosphides, arsenides, antimonides, silicides and germanides have been prepared at high temperatures and high pressures. These ternary metal compounds can be classified into four groups: [1] metal-rich compounds MM' sub 4 X sub 2 and [2] MM'X, [3] non-metal-rich compounds MXX' and [4] MM' sub 4 X sub 1 sub 2 (M and M' = metal element; X and X' = non-metal element). We have studied the electrical and magnetic properties of these materials at low temperatures, and found many new superconductors with the superconducting transition temperature (T sub c) of above 10 K. The metal-rich compound ZrRu sub 4 P sub 2 with a tetragonal structure showed the superconducting transition at around 11 K, and had an upper critical field (H sub c sub 2) of 12.2 tesla (T) at 0 K. Ternary equiatomic compounds ZrRuP and ZrRuSi crystallize in two modifications, a hexagonal Fe sub 2 P-type structure [h-ZrRuP(Si)] and an orthorhombic Co sub 2 P-type structure [o-ZrRuP(Si)]. Both h-ZrRuP and h-ZrRuSi have rather h...

  2. 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.

  3. Topological Insulators in Ternary Compounds with a Honeycomb Lattice

    OpenAIRE

    Zhang, Hai-Jun; Chadov, Stanislav; Müchler, Lukas; Yan, Binghai; Qi, Xiao-Liang; Kübler, Jürgen; Zhang, Shou-Cheng; FELSER, CLAUDIA

    2010-01-01

    One of the most exciting subjects in solid state physics is a single layer of graphite which exhibits a variety of unconventional novel properties. The key feature of its electronic structure are linear dispersive bands which cross in a single point at the Fermi energy. This so-called Dirac cone is closely related to the surface states of the recently discovered topological insulators. The ternary compounds, such as LiAuSe and KHgSb with a honeycomb structure of their Au-Se and Hg-Sb layers f...

  4. A Thermodynamic Approach to Predict Formation Enthalpies of Ternary Systems Based on Miedema's Model

    Science.gov (United States)

    Mousavi, Mahbubeh Sadat; Abbasi, Roozbeh; Kashani-Bozorg, Seyed Farshid

    2016-05-01

    A novel modification to the thermodynamic semi-empirical Miedema's model has been made in order to provide more precise estimations of formation enthalpy in ternary alloys. The original Miedema's model was modified for ternary systems based on surface concentration function revisions. The results predicted by the present model were found to be in excellent agreement with the available experimental data of over 150 ternary intermetallic compounds. The novel proposed model is capable of predicting formation enthalpies of ternary intermetallics with small discrepancies of ≤20 kJ/mol as well as providing reliable enthalpy variations.

  5. A Thermodynamic Approach to Predict Formation Enthalpies of Ternary Systems Based on Miedema's Model

    Science.gov (United States)

    Mousavi, Mahbubeh Sadat; Abbasi, Roozbeh; Kashani-Bozorg, Seyed Farshid

    2016-07-01

    A novel modification to the thermodynamic semi-empirical Miedema's model has been made in order to provide more precise estimations of formation enthalpy in ternary alloys. The original Miedema's model was modified for ternary systems based on surface concentration function revisions. The results predicted by the present model were found to be in excellent agreement with the available experimental data of over 150 ternary intermetallic compounds. The novel proposed model is capable of predicting formation enthalpies of ternary intermetallics with small discrepancies of ≤20 kJ/mol as well as providing reliable enthalpy variations.

  6. Decision tree method applied to computerized prediction of ternary intermetallic compounds

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Decision tree method and atomic parameters were used to find the regularities of the formation of ternary intermetallic compounds in alloy systems. The criteria of formation can be expressed by a group of inequalities with two kinds of atomic parameters Zl (number of valence electrons in the atom of constituent element) and Ri/Rj (ratio of the atomic radius of constituent element i and j) as independent variables. The data of 2238 known ternary alloy systems were used to extract the empirical rules governing the formation of ternary intermetallic compounds, and the facts of ternary compound formation of other 1334 alloy systems were used as samples to test the reliability of the empirical criteria found. The rate of correctness of prediction was found to be nearly 95%. An expert system for ternary intermetallic compound formation was built and some prediction results of the expert system were confirmed.

  7. Regularities of Formation of Ternary Intermetallic Compounds between One Transition Element and Two Non-transition Elements

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The pattern recognition methods and a four-parameter model, based on extension of Miedema's cellular model of alloy phases, are used to study the regularities of formation of ternary compounds between one transition element (T) and two non-transition elements (N, N') (T-N-N'system). The influences of φ (electronegativity), 1/3(nws (valence electron density in Wagner-Seitz cell), R(Pauling's metallic radii) and Z (number of valence electrons in atom) on the formation of the ternary intermetallic compounds were investigated.

  8. Synthesis of Be–Ti–V ternary beryllium intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae-Hwan, E-mail: kim.jaehwan@jaea.go.jp; Nakamichi, Masaru

    2015-08-15

    Highlights: • Preliminary synthesis of ternary Be–Ti–V beryllides was investigated. • An area fraction of Be phase increased with increase of V amount in the beryllide because of increasing melting temperature. • The increase of Be phase fraction resulted in increase of weight gain as well as H{sub 2} generation. • The beryllides with lower V contents indicated to better phase stability at high temperature. - Abstract: Beryllium intermetallic compounds (beryllides) such as Be{sub 12}Ti and Be{sub 12}V are the most promising advanced neutron multipliers in demonstration power reactors. Advanced neutron multipliers are being developed by Japan and the EU as part of their Broader Approach activities. It has been previously shown, however, that beryllides are too brittle to fabricate into pebble- or rod-like shapes using conventional methods such as arc melting and hot isostatic pressing. To overcome this issue, we developed a new combined plasma sintering and rotating electrode method for the fabrication of beryllide rods and pebbles. Previously, we prepared a beryllide pebble with a Be–7.7 at.% Ti composition as the stoichiometric value of the Be{sub 12}Ti phase; however, Be{sub 17}Ti{sub 2} and Be phases were present along with the Be{sub 12}Ti phase that formed as the result of a peritectic reaction due to re-melting during granulation using the rotating electrode method. This Be phase was found to be highly reactive with oxygen and water vapor. Accordingly, to investigate the Be phase reduction and applicability for fabrication of electrodes prior to granulation using the rotating electrode method, Be–Ti–V ternary beryllides were synthesized using the plasma sintering method. Surface observation results indicated that increasing plasma sintering time and V addition led to an increase in the intermetallic compound phases compared with plasma-sintered beryllide with a Be–7.7 at.% Ti composition. Additionally, evaluation of the reactivity of

  9. Structural investigation of the ternary RM3B2 compounds

    International Nuclear Information System (INIS)

    The crystal structure of the ternary borides CeRh3B2, CeCo3B2 structure type, P6/mmm space group, a=5.470(2) A, c=3.080(2) A, Z=1, V=79.81(2) A3, ρ=9.789 g cm-3, μ=28.92 mm-1 and YIr3B2, ErIr3B2 structure type, C2/m space group, a=5.432(2) A, b=9.398(4) A, c=3.099(1) A, β=90.38(1) deg., Z=2, V=158.2(1) A3, ρ=14.425 g cm-3, μ=143.632 mm-1 were refined to R=0.0224, wR2=0.0573 and R=0.0467, wR2=0.1138, respectively, from single crystal X-ray diffraction data of the 'as cast' samples. The CeCo3B2 structure type was confirmed for the CeRh3B2 compound, a=5.47509(16) A, c=3.08143(9) A from Rietveld refinement of X-ray powder diffraction data of the sample annealed at 1070 K (RP=2.76%, RWP=4.32%, RB=4.91%, RF=4.94%). The crystal structures of the annealed at 1070 K RIr3B2 (R=Ce, Nd and Y) and YRh3B2 compounds are more complicated. Different splittings of the reflexions in the X-ray powder patterns of these compounds can be an indication of different structure models related with the CeCo3B2 and ErIr3B2 structure types

  10. Ternary atom site location in L12-structured intermetallic compounds

    International Nuclear Information System (INIS)

    Ternary sublattice site occupancy in two L12-structured intermetallic compounds were evaluated by a transmission electron microscope technique called ALCHEMI, or atom site location by channeling enhanced microanalysis, and by x-ray diffractometry, through measuring the relative integrated intensity of fundamental and superlattice x-ray diffraction peaks. The x-ray diffractometry showed that in nickel-rich Ni3Al+Hf hafnium was found to occupy preferentially the aluminum sublattice, and in a multiphase alloy an L12-structured phase with the composition Al74.2Ti19Ni6.8 nickel atoms showed a strong preference for the titanium sublattice. The ALCHEMI data broadly agreed with the x-ray results for Ni3Al but gave completely the opposite result, i.e., a preference of nickel for the titanium sublattice, for Al3Ti. The methods of ALCHEMI and x-ray diffractometry are compared, and it is concluded that ALCHEMI data may be easily convoluted by peak overlap and delocalization effects

  11. Mössbauer and magnetic studies of the ternary compound FeIn2Se4

    International Nuclear Information System (INIS)

    Single crystals of the ternary compound FeIn2Se4 are grown by directional crystallization of the melt. The composition and structure of the single crystals are determined. The local states of iron ions in this compound are studied by nuclear γ-resonance spectroscopy in transmission configuration. The temperature and field dependences of a specific magnetic moment for the ternary compound FeIn2Se4 are measured in the temperature range 4–310 K in magnetic fields of 0–140 kOe. The reasons and mechanisms for magnetic state formation in single crystals of the obtained compound are discussed.

  12. Evaluation of ternary mobile phases for the analysis of carbonyl compound derivatives using high-performance liquid chromatography.

    Science.gov (United States)

    Ho, Duy Xuan; Kim, Ki-Hyun

    2011-01-01

    In this study, the feasibility of ternary mobile phases was examined in a high-performance liquid chromatography (HPLC)-based analysis of carbonyl compounds (CCs). To test the performance of different ternary phases, the liquid phase standards containing a 15 aldehyde/ketone-DNPH(o) mix were analyzed through a series of five-point calibration experiments. For this comparison, three types of ternary mobile phases were prepared initially by mixing water (W) with two of the following three organic solvents: isopropanol (I), methanol (M), and tetrahydrofuran (T). The resulting three types of ternary phases (named as WIM, WTM, and WIT) were tested and evaluated in relation to the water content or in terms of methanol-to-water ratio (M/W). The results derived by the three ternary phases revealed that the optimal resolution was attained near maximum water content, while those of WIT consistently suffered from poor resolution problems. The relative performances of WIM and WTM phases, if assessed by three key operating parameters (sensitivity, retention time, and resolution), were found to be reliable for most selected CCs with the decreasing M/W ratio. PMID:21218260

  13. Evaluation of Ternary Mobile Phases for the Analysis of Carbonyl Compound Derivatives Using High-Performance Liquid Chromatography

    Directory of Open Access Journals (Sweden)

    Duy Xuan Ho

    2011-01-01

    Full Text Available In this study, the feasibility of ternary mobile phases was examined in a high-performance liquid chromatography (HPLC-based analysis of carbonyl compounds (CCs. To test the performance of different ternary phases, the liquid phase standards containing a 15 aldehyde/ketone-DNPH(o mix were analyzed through a series of five-point calibration experiments. For this comparison, three types of ternary mobile phases were prepared initially by mixing water (W with two of the following three organic solvents: isopropanol (I, methanol (M, and tetrahydrofuran (T. The resulting three types of ternary phases (named as WIM, WTM, and WIT were tested and evaluated in relation to the water content or in terms of methanol-to-water ratio (M/W. The results derived by the three ternary phases revealed that the optimal resolution was attained near maximum water content, while those of WIT consistently suffered from poor resolution problems. The relative performances of WIM and WTM phases, if assessed by three key operating parameters (sensitivity, retention time, and resolution, were found to be reliable for most selected CCs with the decreasing M/W ratio.

  14. Thermal conductivity of A1B3C26 ternary compounds and their solid solutions

    International Nuclear Information System (INIS)

    Thermal conductivity of ternary compounds A1B3C26 and solid solutions CuGaxIn1-xS2, CuGaxIn1-xSe2, CuInS2xSe2(1-x), was studied by the absolute and relative methods in the temperature range of 300-550 K. Interrelation between thermal conductivity and tetragonal distortion of the ternary compounds A1B3C26 was established. It is shown that concentrational dependence of thermal conductivity for the solid solutions has the minimum near equimolar compositions

  15. Phase relationships in the {Ho, Er}–Ni–Sn ternary systems at 673 K and crystal structure of new ternary compounds

    International Nuclear Information System (INIS)

    Highlights: • Ho–Ni–Sn and Er–Ni–Sn phase diagrams were constructed at 673 K. • Eight ternary compounds exist in both investigated systems. • HoNixSn2 (up to 7 at.% Ni) and ErNixSn2 (up to 5 at.% Ni) solid solutions were found. - Abstract: The phase equilibria of the Ho–Ni–Sn and Er–Ni–Sn ternary systems were studied at 673 K in the whole concentration range using electron probe microanalysis (EPMA) and X-ray powder diffraction (XPD). Each system is characterized by formation of eight ternary compounds at 673 K: Ho6Ni2Sn, Er6Ni2Sn (Ho6Ni2Ga-type), Ho2Ni2Sn, Er2Ni2Sn (Mo2FeB2-type), HoNi5Sn, ErNi5Sn (CeCu4.38In1.62-type), HoNi1.73Sn, ErNi1.72Sn (YbNi1.705Sn-type), HoNiSn, ErNiSn (TiNiSi-type), HoNiSn2, ErNiSn2 (LuNiSn2-type), HoNiSn4, ErNiSn4 (LuNiSn4-type), and Ho2NiSn6, Er2NiSn6 (Lu2NiSn6-type). The interstitial solid solutions HoNixSn2 (up to 7 at.% Ni) and ErNixSn2 (up to 5 at.% Ni) based on the RSn2 (ZrSi2-type) binary compounds were found

  16. Novel spectrophotometric method for selective determination of compounds in ternary mixtures (dual wavelength in ratio spectra)

    Science.gov (United States)

    Saad, Ahmed S.

    2015-08-01

    A simple selective spectrophotometric method for determination of compounds in ternary mixture was developed by combining the resolution power of two well-known methods that are commonly used for binary mixtures; namely ratio difference method and dual wavelength. The new method (dual wavelength in ratio spectra) was successfully applied for the determination of a ternary mixture of betamethasone dipropionate (BM), clotrimazole (CT) and benzyl alcohol (BA) in pure powder form and in their pharmaceutical preparation. The difference in amplitudes (ΔP) in the ratio spectra at 252.0 and 258.0 nm (ΔP252.0-258.0nm) corresponds to BM, while ΔP266.8-255.4nm and ΔP254.2-243.5nm corresponds to CT and BA, respectively. The method was validated as per the USP 2005 guidelines. The developed method can be used in quality control laboratories for routine analysis of compounds in ternary mixtures.

  17. An analysis of migration paths of Li+ cations in ternary oxygen-containing compounds LipXqOr

    International Nuclear Information System (INIS)

    A new method was developed for studying voids and channels in crystal structures based on the Voronoi-Dirichlet partition of crystal space, and 822 structurally characterized ternary compounds LipXqOr were analyzed for the first time. For these compounds, the dimensionality was determined and the migration patterns of channel systems capable of providing lithium-ion transport were constructed. The calculated coordinates of lithium atoms in the centers of the voids are consistent (within 0.4 A) with the known structural data. Among these compounds, 113 compounds have infinite channel systems, 60 compounds (18 structural types, STs) have been described earlier in the literature as solid electrolytes, and 53 compounds (23 STs) can be considered as potential one-, two-, or three-dimensional ionic conductors (13, 3, and 7 STs, respectively).

  18. Growth and properties of CuIn5Se8 ternary compound thin films

    International Nuclear Information System (INIS)

    Data on preparation of CuIn5Se8 ternary compound thin films by PLD and investigation of their optical properties have been presented in the work. CuIn5Se8 single crystals grown by a directional crystallization of the melt in evacuated quartz ampoules from elemental components have been used as targets. (authors)

  19. Magnetic and Electrical Properties of Several Equiatomic Ternary U-Compounds

    NARCIS (Netherlands)

    Palstra, T.T.M.; Nieuwenhuys, G.J.; Vlastuin, R.F.M.; Berg, J. van den; Mydosh, J.A.; Buschow, K.H.J.

    1987-01-01

    Magnetisation, specific heat, electrical resistivity, magnetoresistivity and Hall effect were measured for several equiatomic ternary (1-1-1) intermetallic compounds of formula RTX with R = U, Th, Hf and Ti, T a transition metal (Co, Ni, Ru, Rh, Pd, Ir, Pt and Au), and X = Al, Ga, Sn and Sb. These c

  20. Rietveld Refinement of New Ternary Compound Al14Dy5Si

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A new ternary compound Al14Dy5Si was discovered and studied by means of X-ray powder diffraction technique. The ternary compound Al14Dy5Si has a hexagonal BaPb3-type structure, space group R3m(No.166), the lattice parameters a=0.61482(1) nm, c=2.09780(2) nm. The crystal structure of the compound Al14Dy5Si was successfully refined by using Rietveld method from X-ray diffraction data. The R-factors of Rietveld refinement are Rp=0.091 and Rwp=0.120, respectively. The thermal dependence of the magnetization (M-T curves) for the compound was measured by a vibrating sample magnetometer. The experimentally determined magnetic effective paramagnetic moment is μeff=23.22 μB per formula unit (10.36 μB per Dy atom).

  1. New ternary intermetallics, based magnesium, for hydrogen storage

    International Nuclear Information System (INIS)

    The use of fossil fuels (non-renewable energy) is responsible for increasing the concentration of greenhouse gases in the atmosphere. Among the considered alternatives, hydrogen is seen as the most attractive energy vector. The storage in intermetallics makes it possible to obtain mass and volume capacities (e.g. 140 g/L) higher than those obtained by liquid form or under pressure (respectively 71 and 40 g/L). We have synthesised Mg and Rare Earth based compounds (RE = Y, Ce and Gd), derived from the cubic Laves phases AB2. Their physical and chemical properties have been studied (hydrogenation, electrochemistry, magnetism,...). The conditions of sorption (P and T) are particularly favorable (i.e. absorption at room temperature and atmospheric pressure). Besides, to improve the sorption kinetics of metallic magnesium, the compounds developed previously were used as catalysts. Thus, GdMgNi4 was milled with magnesium and the speeds of absorption and desorption of the mixture are found higher than those obtained for the composites Mg+Ni or Mg+V, which are reference systems. A theoretical approach (DFT) was used to model the electronic structure of the ternary compounds (i.e. REMgNi4) and thus to predict or confirm the experimental results. (authors)

  2. Potential ternary compounds for first wall fusion applications

    International Nuclear Information System (INIS)

    The demands placed on a first wall in a fusion facility are both numerous and demanding. In most cases up till now, the materials considered have largely been elemental or two component alloys but so far none have met the demanding benchmarks for a practical solution for long term applications. A family of compounds, call MAX Phases, cover a broad range of elements and have very promising synthesis properties as well as physical properties which indicate that they are well placed to be considered as potential candidates. There are over 600 compounds in this family though only 50 known have been synthesised so far, so it is not yet possible to claim a thorough study has been undertaken of this class of material. An examination of the properties of just one compound, Ti3SiC2, shows the potential for this class of materials. Consideration of Ti3SiC2 is based on the earlier work on TiC and SiC as potential first wall materials. As a three element material Ti3SiC2 is essentially a machineable ceramic with exceptional properties and is suited to both mechanical and electrical applications. Ti3SiC2 has the high temperature and chemical resistance of a ceramic combined with a degree of ductility and a higher electrical conductivity than pure Ti. Furthermore, the material has far higher thermal conductivity than commercial stainless steel or Ti alloys, and although it has a high fracture toughness at high temperatures, it can be machined using conventional hardened steel tools. It exhibits excellent damage tolerance and good thermal shock resistance. Ti3SiC2 has the advantage that there are a number of synthesis processes established which provide the opportunity to tailor the synthesis to meet specialist needs. One form of manufacture, called Self-Propagation High-Temperature Synthesis (SHS) promises to both form large quantities relatively inexpensively but also, through the high temperatures generated, will facilitate bonding to a variety of surfaces. Preliminary

  3. Magnetic measurements of ternary compounds TNi2Si2 (T = Gd, Tb, Dy, Ho, Er, Tm)

    International Nuclear Information System (INIS)

    Magnetic measurements on the tetragonal RNi2Si2 ternary compounds are performed in the temperature range 4.2-200 K and in magnetic fields up to 20 k0e. The compounds with T = Gd, Tb, Dy are antiferromagnetic with Neel temperatures 15.5, 15.0 and 7.0 K respectively. The compounds with T = Ho, Er and Tm do not show any ordering temperature down to 4.2 K. The temperature dependence of the reciprocal susceptibility is found to be curvilinear for ErNi2Si2 at high temperatures, while for the other compounds it follows a Curie-Weiss law. (author)

  4. Structure and properties of intermetallic ternary rare earth compounds

    International Nuclear Information System (INIS)

    The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1-4, M representing a late transition metal from groups 8-12, and E belonging to groups 13-15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E=In,Cd,Mg), GdPdSb, GdNiSb, REAuSn (RE=Gd,Er,Tm) and RENiBi (RE=Pr,Sm,Gd-Tm,Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a

  5. Structure and properties of intermetallic ternary rare earth compounds

    Energy Technology Data Exchange (ETDEWEB)

    Casper, Frederick

    2008-12-17

    The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1-4, M representing a late transition metal from groups 8-12, and E belonging to groups 13-15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E=In,Cd,Mg), GdPdSb, GdNiSb, REAuSn (RE=Gd,Er,Tm) and RENiBi (RE=Pr,Sm,Gd-Tm,Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a

  6. Physical properties of the ternary compound GdGaSi

    International Nuclear Information System (INIS)

    The compound GdGaSi was synthesized by arc-melting, and the crystal structure was characterized by X-ray powder diffraction method. The structure parameters are as follows: tetragonal unit cell, isotypic LaPtSi-structure type, space group (109)/41md; a = 0.41145(1) nm, c = 1.42015(7) nm, V = 0.240428(5) nm3. The magnetic measurements prove an antiferromagnetic ground state of the Gd atoms below a Néel point TN = 16 K. The measurements of the electrical resistivity reveal a metallic behavior of this compound and give evidence of the antiferromagnetic ordering as well. (author)

  7. Superconductivity in a new ternary structure class of boride compounds

    International Nuclear Information System (INIS)

    The occurrence of superconductivity at temperatures up to 9.6 K is reported for the system M(Rhsub(0.85)Rusub(0.15) 4B4, where M can be Y or a rare earth element. In contrast, most members of the isostructural series MRu4B4 are either not superconducting or order magnetically instead. These materials were found to crystallize in a body-centered-tetragonal structure, with space group I41/acd and 8 formula units per unit cell. The atomic positions were determined through a structural study of the LuRu4B4 compound. These results are discussed with reference to the previously reported primitive tetragonal MRh4B4 system of superconducting or ferromagnetic compounds. (author)

  8. Phase relationships in the {Ho, Er}–Ni–Sn ternary systems at 673 K and crystal structure of new ternary compounds

    Energy Technology Data Exchange (ETDEWEB)

    Romaka, L., E-mail: romakal@franko.lviv.ua [Ivan Franko L’viv National University, Kyryl & Mephodiy Str. 6, 79005 L’viv (Ukraine); Romaniv, I. [Ivan Franko L’viv National University, Kyryl & Mephodiy Str. 6, 79005 L’viv (Ukraine); Romaka, V.V. [Lviv Polytechnic National University, Ustyyanovycha Str. 5, 79013 Lviv (Ukraine); Pavlyuk, V. [Ivan Franko L’viv National University, Kyryl & Mephodiy Str. 6, 79005 L’viv (Ukraine)

    2015-05-15

    Highlights: • Ho–Ni–Sn and Er–Ni–Sn phase diagrams were constructed at 673 K. • Eight ternary compounds exist in both investigated systems. • HoNi{sub x}Sn{sub 2} (up to 7 at.% Ni) and ErNi{sub x}Sn{sub 2} (up to 5 at.% Ni) solid solutions were found. - Abstract: The phase equilibria of the Ho–Ni–Sn and Er–Ni–Sn ternary systems were studied at 673 K in the whole concentration range using electron probe microanalysis (EPMA) and X-ray powder diffraction (XPD). Each system is characterized by formation of eight ternary compounds at 673 K: Ho{sub 6}Ni{sub 2}Sn, Er{sub 6}Ni{sub 2}Sn (Ho{sub 6}Ni{sub 2}Ga-type), Ho{sub 2}Ni{sub 2}Sn, Er{sub 2}Ni{sub 2}Sn (Mo{sub 2}FeB{sub 2}-type), HoNi{sub 5}Sn, ErNi{sub 5}Sn (CeCu{sub 4.38}In{sub 1.62}-type), HoNi{sub 1.73}Sn, ErNi{sub 1.72}Sn (YbNi{sub 1.705}Sn-type), HoNiSn, ErNiSn (TiNiSi-type), HoNiSn{sub 2}, ErNiSn{sub 2} (LuNiSn{sub 2}-type), HoNiSn{sub 4}, ErNiSn{sub 4} (LuNiSn{sub 4}-type), and Ho{sub 2}NiSn{sub 6}, Er{sub 2}NiSn{sub 6} (Lu{sub 2}NiSn{sub 6}-type). The interstitial solid solutions HoNi{sub x}Sn{sub 2} (up to 7 at.% Ni) and ErNi{sub x}Sn{sub 2} (up to 5 at.% Ni) based on the RSn{sub 2} (ZrSi{sub 2}-type) binary compounds were found.

  9. Origins of bandgap bowing in compound-semiconductor common-cation ternary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Tit, Nacir; Obaidat, Ihab M [Department of Physics, UAE University, PO Box 17551, Al-Ain (United Arab Emirates); Alawadhi, Hussain [Department of Applied Physics, University of Sharjah, PO Box 27272, Sharjah (United Arab Emirates)], E-mail: ntit@uaeu.ac.ae

    2009-02-18

    We present an investigation into the existence and origins of bandgap bowing in compound-semiconductor common-cation ternary alloys. As examples, we consider CdSe{sub x}Te{sub 1-x} and ZnSe{sub 1-x}Te{sub x} alloys. A calculation, based on the sp{sup 3}s* tight-binding method including spin-orbit coupling within the framework of the virtual crystal approximation, is employed to determine the bandgap energy, local density of states and atomic charge states versus composition and valence-band offset. The results show that (i) in the valence band, the top states are mainly contributed by Te atoms. The degree of ionicity of all atoms is found to vary linearly with mole fraction x. (ii) There is a strong competition between the anions (Se and Te) in trapping/losing charges and this competition is the main reason for the bandgap bowing character. (iii) There is a reasonable agreement between the calculated results and the available photoluminescence data. (iv) The bowing parameter is found to increase with increasing valence-band offset and increasing lattice mismatch.

  10. Moessbauer and magnetic studies of the ternary compound FeIn{sub 2}Se{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Bodnar, I. V., E-mail: chemzav@bsuir.by; Pauliukavets, S. A. [Belarussian State University of Informatics and Radioelectronics (Belarus); Trukhanov, S. V. [National Academy of Sciences of Belarus, Scientific-Practical Materials Research Center (Belarus); Fedotova, Yu. A. [Belarus State University (Belarus)

    2012-05-15

    Single crystals of the ternary compound FeIn{sub 2}Se{sub 4} are grown by directional crystallization of the melt. The composition and structure of the single crystals are determined. The local states of iron ions in this compound are studied by nuclear {gamma}-resonance spectroscopy in transmission configuration. The temperature and field dependences of a specific magnetic moment for the ternary compound FeIn{sub 2}Se{sub 4} are measured in the temperature range 4-310 K in magnetic fields of 0-140 kOe. The reasons and mechanisms for magnetic state formation in single crystals of the obtained compound are discussed.

  11. Crystal structure of ternary compounds C3Fe2U2 and C5Fe2U3

    International Nuclear Information System (INIS)

    Investigations of the alloys of the ternary system C-Fe-U, as well as the known ternary compound C2FeU there were found two new ternary compounds of the approximate compositions C3Fe2U2 and C5Fe2U3. The powder pattern of the compound C3Fe2U2 was taken in an RKU-86 camera in unfiltered KFeradiation. Calculations revealed that the compound C3Fe2U2 crystallizes in a body-centered cubic structure with unit-cell parameter 10.068 angstrom. Calculations confirmed that the compound C5Fe2U3 crystallizes in a tetragonal structure with parameters a = 5.007 angstrom and c = 5.084 angstrom

  12. Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport in Low Gravity

    Science.gov (United States)

    Su, Ching-Hua; Ramachandran, N.

    2013-01-01

    Crystals of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, will be grown by physical vapor transport in the Material Science Research Rack (MSRR) on International Space Station (ISS). The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

  13. The phase equilibria in the Bi–S–I ternary system and thermodynamic properties of the BiSI and Bi19S27I3 ternary compounds

    International Nuclear Information System (INIS)

    Highlights: • The Bi–S–I ternary system is experimentally investigated. • The fields of primary crystallization are determined. • The projection of the liquidus surface is presented. • Partial molar thermodynamic functions of Bi are calculated. • Standard integral thermodynamic functions of BiSI and Bi19S27I3 are calculated. - Abstract: Phase equilibria in the entire Bi–S–I ternary system were determined experimentally by means of differential thermal analysis (DTA), X-ray diffraction (XRD) techniques and EMF measurements. Several vertical sections, an isothermal section at 300 K, and a liquidus surface projection of the system were constructed and two ternary compounds BiSI and Bi19S27I3 reported earlier were confirmed. The primary crystallization fields of all phases, the types and coordinates of invariant and monovariant equilibria were determined. Thermodynamic properties of the both BiSI and Bi19S27I3 ternary compounds were studied by electromotive force measurements (EMF) with the bismuth electrode. From the EMF measurements, the partial molar functions of bismuth in alloys and the standard integral thermodynamic functions of BiSI and Bi19S27I3 were calculated

  14. Development and application of high strength ternary boride base cermets

    International Nuclear Information System (INIS)

    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 Mo2FeB2, Mo2NiB2 and WCoB base ones. In these cermets Mo2FeB2 and Mo2NiB2 base ones consist of a tetragonal M 3B2 (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)

  15. Thermodynamic description of the ternary compounds in the Cu-In-Se system

    Institute of Scientific and Technical Information of China (English)

    SHEN Jianyun; W.K. Kim; SHANG Shunli; CHU Maoyou; CAO Song; T.J. Anderson

    2006-01-01

    A set of thermodynamic descriptions of the ternary compounds (mainly α-CuInSe2, δ-CuInSe2, CuIn3Se5 and CuIn5Se8) in the Cu-In-Se system was established by adopting sub-lattice model. The model parameters are carefully evaluated by integrating the experimental data of thermodynamic properties, phase equilibrium and theoretical calculation of formation energies of different point defects. The evaluated Gibbs energies of the compounds reasonably agree with that estimated from EMF experiment and ab initio calculation. The calculated phase relationships in the Cu-In-Se system are in accord with the experimental phase diagrams. The obtained standard enthalpy of formation of CuInSe2 is close to that reported in the literatures.

  16. Study of crystal structure of ternary compounds CuIn3Se5 and CuIn5Se8

    International Nuclear Information System (INIS)

    The structures of monocrystals of CuIn3Se5 and CuIn5Se8 ternary compounds have been studied by X-ray diffraction for the first time. The lattice parameters of CuIn3Se5 and CuIn5Se8 crystals are determined. It is established that CuIn3Se5 has a thiogallate lattice with c = 2a, which leads to the domain structure formation. CuIn5Se8 has a hexagonal lattice and exhibits cleavage along the (001) plane. The interrelation between the atomic composition and crystal structure of these new ternary semiconductor compounds is discussed

  17. Thermal expansion of ternary semiconductor compounds AgB3C26

    International Nuclear Information System (INIS)

    Temperature dependences of elementary cell parameters, molar volume, main and mean coefficients of thermal expansion for crystals are determined, melting temperatures are improved characteristic Debay temperatures and some thermodynamic properties of AgGaSr, AgInS2, AgGaSe2, AgInSe2, AgGaTe2, AgInTe2 compounds are calculated, effect of anion (S-Se-Te) and cation substitutions on the change of these parameters is considered, using X-ray diffraction technique. It is shown, that within 80-650 K temperature range for AgB3C26 (B-Ga, In; C-S, Se, Te) with chalcopyrite tetragonal structure the thermal expansion coefficients along the direction, parallel to tetragonal axis, are negative, while along the perpendicular direction-positive ones. With temperature increase both main coefficients of expansion increase by absolute value, coefficients, characterizing thermal expansion anisotropy, grorespectively. AgGaSe2 compound has the largest anisotropy of thermal expansion, while AgInTe2 compound has the smalest anisotropy of thermal expansion, while AgInTe2 compound has the smalest anisotropy among the considered group of A1B3C26 ternary compounds

  18. Density functional theory study of ternary V-Cr-N compounds

    Science.gov (United States)

    Lazar, P.; Podloucky, R.; Kozeschnik, E.; Redinger, J.

    2008-10-01

    The Z -phase VCrN is important for steel technology because of its harmful influence on the mechanical properties of 9%-12% Cr steel with V additions. The thermodynamical stability of the Z phase and related ternary compounds with respect to the decomposition into binary Cr- and V-nitride phases is studied. By application of the density functional theory (DFT) approach we investigate the ground-state properties of a variety of binary V-N and Cr-N compounds, and we propose the existence of a different phase V4N5 . Concerning ternary phases, we studied the compounds VCrN, V2Cr2N3 , and VCrN2 for two structural variants, namely, for an alternating single-layer (V-N)/(Cr-N) [100] stacked rocksalt structure and for a double-layer (V-N V-N)/(Cr-N Cr-N) [100] stacked tetragonal structure. For the Z -phase VCrN, the tetragonal structure with pure Cr layers is most stable, whereas for the composition VCrN2 both structural variants are almost degenerate. The intermediate phase V2Cr2N3 is unstable against a decomposition into VCrN and VCrN2 . Comparing the formation energies of ternary and binary nitrides, we find that the Z -phase VCrN is always stable whereas VCrN2 is less stable than a mixture of V4N5 and Cr2N . Assuming nonequilibrium conditions for which nitrogen might be abundant, also the Z -phase VCrN can decompose into binary nitrides. Applying an empirical temperature-dependent approach to study the formation of nitrides of Cr and V dissolved in Fe, the DFT data are corroborated concerning the Z -phase VCrN and VN. For Cr2N the empirical approach yields a formation energy which is about 20% more stable than the DFT data. The DFT data are, however, in good agreement with a corresponding measured value.

  19. Infrared target recognition based on improved joint local ternary pattern

    Science.gov (United States)

    Sun, Junding; Wu, Xiaosheng

    2016-05-01

    This paper presents a simple, efficient, yet robust approach, named joint orthogonal combination of local ternary pattern, for automatic forward-looking infrared target recognition. It gives more advantages to describe the macroscopic textures and microscopic textures by fusing variety of scales than the traditional LBP-based methods. In addition, it can effectively reduce the feature dimensionality. Further, the rotation invariant and uniform scheme, the robust LTP, and soft concave-convex partition are introduced to enhance its discriminative power. Experimental results demonstrate that the proposed method can achieve competitive results compared with the state-of-the-art methods.

  20. Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

    Science.gov (United States)

    2003-01-01

    The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyancy-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions. Significant effects of gravity vector orientation on the growth crystal morphology and point defect distribution were observed.

  1. DESIGN OF TERNARY COUNTER BASED ON ADIABATIC DOMINO CIRCUIT

    Institute of Scientific and Technical Information of China (English)

    Yang Qiankun; Wang Pengjun; Zheng Xuesong

    2013-01-01

    By researching the ternary counter and low power circuit design method,a novel design of low power ternary Domino counter on switch-level is proposed.Firstly,the switch-level structure expression of ternary loop operation circuit with enable pin is derived according to the switch-signal theory,and the one bit ternary counter is obtained combining the ternary adiabatic Domino literal operation circuit and buffer.Then the switch-level structure expression of enable signal circuit is derived,and the four bits ternary counter is obtained by cascade connection.Finally,the circuit is simulated by Spice tool and the output waveforms transform in proper order indicating that the logic function is correct.The energy consumption of the four bits ternary adiabatic Domino counter is 63% less than the conventional Domino counterpart.

  2. Polar intermetallic compounds of the silicon and arsenic family elements and their ternary hydrides and fluorides

    Energy Technology Data Exchange (ETDEWEB)

    Leon-Escamilla, E.A.

    1996-10-17

    An investigation has been made on the effects of hydrogen and fluoride in the solid state chemistry of alkaline-earth and divalent rare-earth metal pnictide (Pn) and tetrelide (Tt) phases A{sub 5}(Pn,Tt,){sub 3}Z{sub x}, where A = Ca, Sr, Ba, Sm, Eu, Yb; Pn = As, Sb, Bi; Tt = Si, Ge, Sn, Pb and Z = H, F. Several trivalent rare-earth-metal pnictides, RE{sub 5}Pn{sub 3} (RE = Y, La, Gd, Tb, Dy, Ho, Er, Tm) and alkaline-earth-metal trielides, A{sub 5}Tr{sub 3}Z{sub x} (Tr = Ga, In, Tl) have been included in an effort to complete observed structural trends. Two main experimental techniques were followed throughout this work, (a) reactions in absence of hydrogen or under continuous high vacuum, and (b) reactions with binary metal hydrides, AH{sub x}, in closed containers. The results demonstrate that all the phases reported with the {beta}-Yb{sub 5}Sb{sub 3}-type structure in the A{sub 5}Pn{sub 3} systems are hydrogen-stabilized compounds. Reactions in absence of hydrogen lead to compounds with the Mn{sub 5}Si{sub 3}-type structure. The structure type {beta}-Yb{sub 5}Sb{sub 3} (= Ca{sub 5}SB{sub 3}F) was found to be characteristic of ternary systems and inaccurately associated with phases that form in the Y{sub 5}Bi{sub 3}-type. A new series of isomorphous Zintl compounds with the Ca{sub 16}Sb{sub 11}-type structure were prepared and studied as well. All the alkaline-earth-metal tetrelides, A{sub 5}Tt{sub 3}, that crystallize in the Cr{sub 5}B{sub 3}-type structure can be interstitially derivatized by hydrogen or fluoride. Binary and ternary compounds were characterized by Guinier powder patterns, single crystal X-ray and powder neutron diffraction techniques. In an effort to establish property-structure relationships, electrical resistivity and magnetic measurements were performed on selected systems, and the results were explained in terms of the Zintl concepts, aided by extended Hueckel band calculations.

  3. Electron paramagnetic resonance study of ternary CuII compounds with glycine and phenanthroline

    Indian Academy of Sciences (India)

    Ricardo C Santana; Anderson B C Araújo; Jesiel F Carvalho; Rafael Calvo

    2014-01-01

    We report here electron paramagnetic resonance (EPR) measurements at 9 and 34 GHz, and room temperature (), in powder and single crystal samples of the ternary compounds of copper nitrate or copper chloride with glycine and 1,10-phenanthroline [Cu(Gly)(phen)(H2O)]·NO3·1.5H2O (1) and [Cu(Gly)(phen)Cl]2·7H2O (2). In compound 1, the copper ions are arranged in 1-D chains along one of the crystal axes connected by syn-anti carboxylate ligands, while in 2 the array is nearly 3-D and the connections involve -bonds and stacking interactions. The angular variation of the squared g-factor and the line width were measured as a function of orientation of the magnetic field (0) in three orthogonal crystal planes. In both compounds we observed one resonance without hyperfine structure for any magnetic field orientation which we attribute to the collapse of the hyperfine coupling and of the resonances of two chemically identical but rotated coppers in the unit cell, produced by exchange interactions. We analyse the results in terms of the structures of the compounds and chemical paths connecting neighbour copper ions which support the exchange interactions between neighbour spins in the lattice. Considering the collapse of the EPR signals of rotated sites in the lattices we are able to set lower limits to the exchange interactions, which are supported by weak equatorial-apical carboxylate bridges in 1, and by paths containing hydrogen bonds and aromatic - interactions in 2. Broadening due to dipole-dipole couplings and hyperfine interactions are strongly reduced by these exchange couplings and their role in the EPR line width is more difficult to recognize.

  4. High pressure Raman study of layered Mo0.5W0.5S2 ternary compound

    Science.gov (United States)

    Kim, Joon-Seok; Moran, Samuel T.; Nayak, Avinash P.; Pedahzur, Shahar; Ruiz, Itzel; Ponce, Gabriela; Rodriguez, Daniela; Henny, Joanna; Liu, Jin; Lin, Jung-Fu; Akinwande, Deji

    2016-06-01

    Ternary two-dimensional (2D) transition metal dichalcogenide compounds exhibit a tunable electronic structure allowing for control of the interlayer and the intralayer atomic displacement to efficiently tune their physical and electronic properties. Using a diamond anvil cell, hydrostatic pressure was applied to Mo0.5W0.5S2 up to 40 GPa in order to study the optical phonon vibrational modes. Analysis of the high-pressure Raman spectra shows that the two in-plane E2g modes resembling that of pristine MoS2 and WS2, as well as disorder-activated longitudinal acoustic phonon mode, are hardened and suppressed as pressure increases. The two A1g modes of the ternary compound that resemble the A1g modes of pristine MoS2 and WS2, displayed similar Raman shifts to the pristine compounds as pressure increases. A Raman peak at 470 cm-1 that is close to A1g peaks emerges at ˜8 GPa, which represents a disorder-activated pressure-induced out-of-plane Raman mode observed only in the ternary compound under high pressure. At pressures above ˜30 GPa, a Raman peak at approximately 340 cm-1 is observed, signifying additional disorder-activated vibration mode. Our results reveal the enhanced interactions in the structural and vibrational behavior of the MoS2 and WS2 domains in the Mo0.5W0.5S2 compound under hydrostatic pressure. These results could have implications in understanding the electronic, optical, and structural properties of the new 2D ternary compound materials under extreme mechanical conditions.

  5. Study on the oscillatory behaviour of the lattice parameter in ternary iron-nitrogen compounds

    International Nuclear Information System (INIS)

    The structural properties of the XFe3N (X=Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn) cubic ternary iron based nitrides as well as the preferential occupation site of X in the structure were studied using Full Potential Linearized Augmented Plane Wave method, within the Density Functional Theory formalism, Wien2k code, the exchange-correlation potential described with the Perdew-Burke-Ernzerhof expression, based in the Local Spin Density Approximation and Generalized Gradient Approximation. According the calculations, the Sc, Co, Ni, Cu and Zn, atoms preferred the corner sites of the cubes, while Ti, V, Cr and Mn occupy the centre of the faces of the equilibrium structures. The equilibrium structure lattice parameters have an oscillatory behaviour with the atomic number of X, with decreasing amplitude as the atomic number of X increases. This trend do not correlated with the atomic radii of X.

  6. Tribological properties of ternary nanolayers, obtained from simple/compound materials

    Science.gov (United States)

    Jinga, V.; Cristea, D.; Samoilă, C.; Ursuţiu, D.; Mateescu, A. O.; Mateescu, G.; Munteanu, D.

    2016-06-01

    Numerous recently investigations are oriented towards the development of new classes of thin films, having dry-lubrication properties. These efforts were determined by the enormous energy losses generated by friction, and due to technical complications determined by the systems used for classic lubrication. This paper presents our results concerning a new class of nanomaterials, with ternary composition deposited from simple/compound materials (Ti/TixNy, TiB2/TixBiyNz, WC/WxCyNz). The films were deposited by magnetron sputtering, with varying sputtering parameters (sputtering power, reactive gas) on stainless steel substrates - ultrasonically and glow discharge cleaned before the deposition process. The influence of the deposition parameters on the mechanical and wear properties was assessed by nanoindentation, scratch resistance (to quantify the adhesion of the films to the steel substrate) and by pin-on- disk wear tests. The general conclusion was that the sample deposited at 5500 C, with N2 as reactive gas and 0.5 kV for substrate polarization, has the best mechanical characteristics (hardness and elastic modulus) and lubricant properties (represented by μ average), when compared to the remaining samples.

  7. Phase selection of ternary intermetallic compounds during solidification of high zinc magnesium alloy

    Institute of Scientific and Technical Information of China (English)

    GUAN Shao-kang; ZHANG Chun-xiang; WANG Li-guo; WU Li-hong; CHEN Pei-lei; TANG Ya-li

    2008-01-01

    The phase selection of ternary intermetallic compound τ phase (Mg32 (Al,Zn)49) and φ phase (A12Mg5Zn2) in high zinc magnesium alloys was studied by using scanning electron microscope,X-ray diffractometer and differential scanning calorimeter,etc.The results indicate that,when adding element Si in Mg-8Zn-4Al-0.3Mn (ZA84) alloy,φ phase is promoted,whereas τ phase is inhibited.The Chinese script-type Mg2Si and matrix microstructure are greatly refined,the formation of τ phase is facilitated and φ phase is restrained when modifier Al-AlP master alloy is added in ZA84 alloy containing Si.The kinetics study of phase selection indicates that there is a critical degree of undercooling of the melt.If the undcrcooling exceeds the critical value,τ phase preferentially forms while φ phase is restrained; otherwise,φ phase preferentially forms while τ phase is restrained.

  8. Transmittance spectra of the CuGa3Se5 ternary compound near the fundamental absorption edge

    International Nuclear Information System (INIS)

    The CuGa3Se5 ternary compound films are produced by laser deposition at the substrate temperatures 480 and 580 K. The composition and structure of the films are studied. It is shown that, similarly to the corresponding crystals, the CuGa3Se5 films crystallize into the imperfect chalcopyrite structure. The transmittance spectra near the fundamental absorption edge are used to establish the energies and nature of optical transitions. The energies of crystal-field splitting (Δcr) and spin-orbit splitting (ΔSO of the valence band of the CuGa3Se5 ternary compound are calculated in the context of the Hopfield quasi-cubic model.

  9. Transmittance spectra of the CuGa{sub 3}Se{sub 5} ternary compound near the fundamental absorption edge

    Energy Technology Data Exchange (ETDEWEB)

    Bodnar, I. V., E-mail: chemzav@bsuir.by [Belarusian State University of Information and Radio Electronics (Belarus)

    2011-04-15

    The CuGa{sub 3}Se{sub 5} ternary compound films are produced by laser deposition at the substrate temperatures 480 and 580 K. The composition and structure of the films are studied. It is shown that, similarly to the corresponding crystals, the CuGa{sub 3}Se{sub 5} films crystallize into the imperfect chalcopyrite structure. The transmittance spectra near the fundamental absorption edge are used to establish the energies and nature of optical transitions. The energies of crystal-field splitting ({Delta}{sub cr}) and spin-orbit splitting ({Delta}{sub SO} of the valence band of the CuGa{sub 3}Se{sub 5} ternary compound are calculated in the context of the Hopfield quasi-cubic model.

  10. An efficient ternary serial adder based on carbon nanotube FETs

    OpenAIRE

    Mohammad Hossein Moaiyeri; Molood Nasiri; Nooshin Khastoo

    2016-01-01

    This paper presents an efficient ternary serial adder for nanotechnology employing negative, positive and standard ternary logics. Multiple-valued logic results in chips with more density, less complexity and high-bandwidth data transfer. The unique properties of CNTFETs such as the capability of adapting the desired threshold voltage by changing the diameters of the nanotubes and same carrier mobility for the n-type and p-type devices play an important role in designing this circuit. The pro...

  11. TbNb6Sn6: the first ternary compound from the rare earth–niobium–tin system

    OpenAIRE

    Viktor Hlukhyy; Igor Oshchapovsky; Thomas F. Fässler; Volodymyr Pavlyuk

    2010-01-01

    The title compound, terbium hexaniobium hexastannide, TbNb6Sn6, is the first ternary compound from the rare earth–niobium–tin system. It has the HfFe6Ge6 structure type, which can be analysed as an intergrowth of the Zr4Al3 and CaCu5 structures. All the atoms lie on special positions; their coordination geometries and site symmetries are: Tb (dodecahedron) 6/mmm; Nb (distorted icosahedron) 2mm; Sn (Frank–Caspar polyhedron, CN = 14–15) 6mm and overline{6...

  12. Investigating the discrimination potential of linear and nonlinear spectral multivariate calibrations for analysis of phenolic compounds in their binary and ternary mixtures and calculation pKa values

    Science.gov (United States)

    Rasouli, Zolaikha; Ghavami, Raouf

    2016-08-01

    Vanillin (VA), vanillic acid (VAI) and syringaldehyde (SIA) are important food additives as flavor enhancers. The current study for the first time is devote to the application of partial least square (PLS-1), partial robust M-regression (PRM) and feed forward neural networks (FFNNs) as linear and nonlinear chemometric methods for the simultaneous detection of binary and ternary mixtures of VA, VAI and SIA using data extracted directly from UV-spectra with overlapped peaks of individual analytes. Under the optimum experimental conditions, for each compound a linear calibration was obtained in the concentration range of 0.61-20.99 [LOD = 0.12], 0.67-23.19 [LOD = 0.13] and 0.73-25.12 [LOD = 0.15] μg mL- 1 for VA, VAI and SIA, respectively. Four calibration sets of standard samples were designed by combination of a full and fractional factorial designs with the use of the seven and three levels for each factor for binary and ternary mixtures, respectively. The results of this study reveal that both the methods of PLS-1 and PRM are similar in terms of predict ability each binary mixtures. The resolution of ternary mixture has been accomplished by FFNNs. Multivariate curve resolution-alternating least squares (MCR-ALS) was applied for the description of spectra from the acid-base titration systems each individual compound, i.e. the resolution of the complex overlapping spectra as well as to interpret the extracted spectral and concentration profiles of any pure chemical species identified. Evolving factor analysis (EFA) and singular value decomposition (SVD) were used to distinguish the number of chemical species. Subsequently, their corresponding dissociation constants were derived. Finally, FFNNs has been used to detection active compounds in real and spiked water samples.

  13. Investigating the discrimination potential of linear and nonlinear spectral multivariate calibrations for analysis of phenolic compounds in their binary and ternary mixtures and calculation pKa values.

    Science.gov (United States)

    Rasouli, Zolaikha; Ghavami, Raouf

    2016-08-01

    Vanillin (VA), vanillic acid (VAI) and syringaldehyde (SIA) are important food additives as flavor enhancers. The current study for the first time is devote to the application of partial least square (PLS-1), partial robust M-regression (PRM) and feed forward neural networks (FFNNs) as linear and nonlinear chemometric methods for the simultaneous detection of binary and ternary mixtures of VA, VAI and SIA using data extracted directly from UV-spectra with overlapped peaks of individual analytes. Under the optimum experimental conditions, for each compound a linear calibration was obtained in the concentration range of 0.61-20.99 [LOD=0.12], 0.67-23.19 [LOD=0.13] and 0.73-25.12 [LOD=0.15] μgmL(-1) for VA, VAI and SIA, respectively. Four calibration sets of standard samples were designed by combination of a full and fractional factorial designs with the use of the seven and three levels for each factor for binary and ternary mixtures, respectively. The results of this study reveal that both the methods of PLS-1 and PRM are similar in terms of predict ability each binary mixtures. The resolution of ternary mixture has been accomplished by FFNNs. Multivariate curve resolution-alternating least squares (MCR-ALS) was applied for the description of spectra from the acid-base titration systems each individual compound, i.e. the resolution of the complex overlapping spectra as well as to interpret the extracted spectral and concentration profiles of any pure chemical species identified. Evolving factor analysis (EFA) and singular value decomposition (SVD) were used to distinguish the number of chemical species. Subsequently, their corresponding dissociation constants were derived. Finally, FFNNs has been used to detection active compounds in real and spiked water samples. PMID:27176001

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

    International Nuclear Information System (INIS)

    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 11000C for ca. 7 days. Refinement of the substructure of the new compound Ba062Mo4O6 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 NaMo4O6 which consists of infinite chains of Mo6 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 Ba2+ ions are located. The structure of Ba113Mo8O16 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 Mo4O82- and Mo4O8026- cluster units, respectively, are interlinked via Mo-O-Mo bridge bonding to create again four-sided tunnels in which the Ba2+ ions reside. Other compounds prepared and characterized by analyses and x-ray powder diffraction data are Pb/sub x/Mo4O6 (x approx. 0.6), LiZn2Mo3O8, , CaMo5O8, K2Mo12O19, and Na2Mo12O19

  15. Evolution to carbonated compounds of phases developed on ternary systems materials

    OpenAIRE

    Fernández Carrasco, Lucía; Torrens Martín, David; Morales Martínez, Laura María; Martínez Ramírez, Sagrario; Fernández, Pedro

    2011-01-01

    Originality This paper describes for the first time a study of the durability of different selected formulations in the ternary system CAC/FA/C$ which substitutes the Portland cement by by-products. On the hydrates characterization, the Infrared and Raman spectroscopies allow the identification of differentiate ettringite structures.

  16. Simulation of Solid-Liquid Equilibrium in a Ternary System with Adduct Compounds

    Czech Academy of Sciences Publication Activity Database

    Malijevská, I.; Sedláková, Zuzana

    Kuala Lumpur : -, 2007, s. 150-151. [Asian Chemical Congress (12ACC) 2007 /12./. Kuala Lumpur (MY), 23.08.2007-25.08.2007] Institutional research plan: CEZ:AV0Z40720504 Keywords : solid-liquid equilibrium * adduct * ternary system Subject RIV: CF - Physical ; Theoretical Chemistry

  17. Regularities of formation of ternary intermetallic compounds between two transition elements and one non-transition element

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The pattern recognition methods and a four-parameter model, basedon extended Miedema's cellular model of alloy phases, are used to study the regularities of formation of ternary compounds between two transition elements (T,T′) and one non-transition element (N) (T-T′-N system). The criterion of formation can be expressed as some functions of Φ (electronegativity), n1/3ws (valence electron density in Wagner-Seitz cell), R (Pauling's metallic radii) and Z (number of valence electrons in atom).

  18. Reconfigurable ternary optical processor based on row operation unit

    Science.gov (United States)

    Kai, SONG; LiPing, YAN

    2015-09-01

    In order to eliminate the difference between the data bits and the pixel bits of the processors in the logic operation of Ternary Optical Computer (TOC), and to make the reconfiguration of the processors more convenient and efficient, while extending the research ideas of TOC, the paper presents a new typical optical component, which is row operation unit (ROU). The features, circuit implementations, and commands for the reconfiguration of ROU are also discussed in detail. On this basis, the reconfigurable ternary optical processor (RTOP) was designed and achieved, which reduces the complexity of the processor management software. Finally, the experiments of reconfigurable ROU are performed, which shows that the principles of RTOP are correct, and all 81 commands for the reconfiguration are effective. Each of the two-input, tri-valued logic operations with thousands of data bits can be concurrently achieved in RTOP.

  19. TbNb6Sn6: the first ternary compound from the rare earth–niobium–tin system

    Directory of Open Access Journals (Sweden)

    Viktor Hlukhyy

    2010-12-01

    Full Text Available The title compound, terbium hexaniobium hexastannide, TbNb6Sn6, is the first ternary compound from the rare earth–niobium–tin system. It has the HfFe6Ge6 structure type, which can be analysed as an intergrowth of the Zr4Al3 and CaCu5 structures. All the atoms lie on special positions; their coordination geometries and site symmetries are: Tb (dodecahedron 6/mmm; Nb (distorted icosahedron 2mm; Sn (Frank–Caspar polyhedron, CN = 14–15 6mm and overline{6}m2; Sn (distorted icosahedron overline{6}m2. The structure contains a graphite-type Sn network, Kagome nets of Nb atoms, and Tb atoms alternating with Sn2 dumbbells in the channels.

  20. A magnetic study of ThCr2Si2-type pseudo-ternary RMn1.5T0.5Ge2 compounds. (R=Y,Ce-Sm,Gd-Ho; T=Fe,Cu)

    International Nuclear Information System (INIS)

    We report on bulk magnetization measurements performed on ThCr2Si2-type RMn1.5T0.5Ge2 compounds (R=Y, La-Nd, Sm, Gd-Ho; T=Cu, Fe). These pseudo-ternary compounds display largely correlated variations of their magnetic transition temperatures. This phenomenon might be related to magnetic properties based on competing in-plane and inter-plane Mn-Mn interactions. The RMn1.5Cu0.5Ge2 compounds are characterized by relatively large magnetocrystalline anisotropy. (orig.)

  1. Modeling Of Combinational Circuits Based On Ternary Multiplexer Using VHDL

    Directory of Open Access Journals (Sweden)

    A.Sathish kumar,

    2010-08-01

    Full Text Available This paper presents a novel method for defining, analyzing, testing and implementing the basic combinational circuitry with VHDL Simulator. This paper shows the potential of VHDL modeling and simulation that can be applied to Ternary switching circuits to verify its functionality and timing specifications. A novel method is brought out for implementing the basic combinational circuitry with minimum number of multiplexers. It also includes 1-bit and 2-bit position shifter and Barrel shifter. Method of coding is illustrated with respect to block diagram. An intention is to show how proposed simulator can be used to simulate MVL circuits and to evaluate systemperformance.

  2. The phase equilibria in the Bi–S–I ternary system and thermodynamic properties of the BiSI and Bi{sub 19}S{sub 27}I{sub 3} ternary compounds

    Energy Technology Data Exchange (ETDEWEB)

    Aliev, Ziya S. [Baku State University, General and Inorganic Chemistry Department, Baku (Azerbaijan); Institute of Physics, Azerbaijan National Academy of Science, AZ1143 Baku (Azerbaijan); Musayeva, Sabina S.; Jafarli, Farhad Y. [Baku State University, General and Inorganic Chemistry Department, Baku (Azerbaijan); Amiraslanov, Imamaddin R. [Baku State University, General and Inorganic Chemistry Department, Baku (Azerbaijan); Institute of Physics, Azerbaijan National Academy of Science, AZ1143 Baku (Azerbaijan); Shevelkov, Andrei V., E-mail: shev@inorg.chem.msu.ru [Lomonosov Moscow State University, Chemistry Department, Moscow (Russian Federation); Babanly, Mahammad B., E-mail: babanly_mb@rambler.ru [Baku State University, General and Inorganic Chemistry Department, Baku (Azerbaijan)

    2014-10-15

    Highlights: • The Bi–S–I ternary system is experimentally investigated. • The fields of primary crystallization are determined. • The projection of the liquidus surface is presented. • Partial molar thermodynamic functions of Bi are calculated. • Standard integral thermodynamic functions of BiSI and Bi{sub 19}S{sub 27}I{sub 3} are calculated. - Abstract: Phase equilibria in the entire Bi–S–I ternary system were determined experimentally by means of differential thermal analysis (DTA), X-ray diffraction (XRD) techniques and EMF measurements. Several vertical sections, an isothermal section at 300 K, and a liquidus surface projection of the system were constructed and two ternary compounds BiSI and Bi{sub 19}S{sub 27}I{sub 3} reported earlier were confirmed. The primary crystallization fields of all phases, the types and coordinates of invariant and monovariant equilibria were determined. Thermodynamic properties of the both BiSI and Bi{sub 19}S{sub 27}I{sub 3} ternary compounds were studied by electromotive force measurements (EMF) with the bismuth electrode. From the EMF measurements, the partial molar functions of bismuth in alloys and the standard integral thermodynamic functions of BiSI and Bi{sub 19}S{sub 27}I{sub 3} were calculated.

  3. 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

  4. Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

    International Nuclear Information System (INIS)

    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

  5. Bioreducible polyether-based pDNA ternary polyplexes: Balancing particle stability and transfection efficiency

    Science.gov (United States)

    Lai, Tsz Chung; Kataoka, Kazunori; Kwon, Glen S.

    2016-01-01

    Polyplex particles formed with plasmid DNA (pDNA) and Pluronic P85-block-poly{N-[N-(2-aminoethyl)-2-aminoethyl]aspartamide} (P85-b-P[Asp(DET)]) demonstrated highly effective transfection ability compared to PEG-based block cationomer, PEG-b-P[Asp(DET)]. Ternary polyplexes comprising PEG-b-P[Asp(DET)], poly(ethylene oxide)-b-poly(propylene oxide)-b-poly(ethylene oxide)-b-P[Asp(DET)] (P(EPE)-b-P[Asp(DET)]) used as an analog of P85-b-P[Asp(DET)], and pDNA were prepared in this work aiming at maintaining adequate transfection efficiency while solving the stability issues of the P85-b-P[Asp(DET)] polyplexes. Furthermore, a bioreducible P(EPE)-SS-P[Asp(DET)] possessing a redox potential-sensitive disulfide linkage between the P(EPE) polymer and the cationic block was used as a substitute for P(EPE)-b-P[Asp(DET)] during ternary complex formation to investigate whether the trans-fection ability of the ternary polyplex system could be enhanced by triggered release of P(EPE) polymers from the polyplexes. The ternary complexes showed significant improvement in terms of stability against salt-induced aggregation compared to binary complexes, although the gene delivery ability dropped with the amount of PEG-b-P[Asp(DET)] used for complexation. By manipulating the difference in redox potential between the extracellular and intracellular environments, the reducible ternary complexes achieved higher transfection compared to the non-reducible polyplexes; moreover, the reducible poly-plexes exhibited comparable stability to the non-reducible ones. These results suggest that reducible ternary complexes could provide satisfactory transfection efficiency without comprising the colloidal stability of the particles. PMID:22000077

  6. Growth and morphology of the CuGaS2, CuAlSe2, CuGaSe2, and CuInS2 ternary compounds

    International Nuclear Information System (INIS)

    Monocrystals of the ternary compounds CuGaS2, CuAlSe2, CuGaSe2, and CuInS2 were grown from their elements by transport reactions; their cell parameters and melting temperature were determined. The character of the phase transition in these compounds was found out and also the boundary conditions of growing the monocrystals as well as their dislocation structure (by etching). (author)

  7. Microstructural characterization and phase transformation of ternary alloys near at Al3Ti compound

    International Nuclear Information System (INIS)

    This research work is related with the structural characteristic and compositional values of the crystalline phases, which are found in ternary alloys of Ti-Al-Fe and TI-Al-Cu. These types of alloys were obtained using a rapid solidification technique (103-104 K/s) and pure elements such as Al, Ti, Fe and Cu (99.99%). These cooling velocities allow the formation of stable phases and small grain sizes (approximately in range of a few micras). The obtained results indicate the presence of Al3Ti and others phases of L12 type. These phases are commonly found in a matrix rich in A1. The microalloyed elements (Cu and Fe) substitute the aluminum in both kinds of phases. Alloys with low content of Cu show transition states from the tetragonal structure DO22 to the cubic phases L12. The structural characteristics of the alloys are related with some microhardness measurement. The results show that the presence of the L12 phase tends to increase to hardness depending of the content of this phase

  8. Spin-glass behavior in ternary uranium compound U2CuGa3

    International Nuclear Information System (INIS)

    The results of dc susceptibility, magnetization, magnetic relaxation and specific heat measurements on U2CuGa3, a compound reported early in the literature as exhibiting interesting magnetic properties, are presented. The temperature dependence of susceptibility measured in the zero-field cooling (ZFC) mode and in the field cooling (FC) mode displays spin-glass behavior below a characteristic temperature Tf (∼16 K) in agreement with the literature. As a new evidence for the formation of spin-glass state in this compound, the specific heat data do not show any visible singularity around Tf indicating the absence of long-range magnetic order at this temperature. Furthermore, the characteristic remanence effect and magnetic relaxation on a macroscopic time scale are also observed below Tf. The experimental results are compared with those of orthorhombic CeCu2-type spin-glass compound U2AuGa3 and hexagonal AlB2-type spin-glass compound U2PdSi3

  9. Band gap and stability in the ternary intermetallic compounds NiSnM (M = Ti, Zr, Hf): A first principles study

    OpenAIRE

    Ogut, S.; Rabe, K. M.

    1994-01-01

    The structural stability and electronic properties of the ternary intermetallic compounds NiSnM (M = Ti, Zr, Hf) and the closely related Heusler compounds Ni$_2$SnM are discussed using the results of ab initio pseudopotential total energy and band-structure calculations performed with a plane wave basis set using the conjugate gradients algorithm. The results characterize the lowest energy phase of NiSnM compounds, with a SnM rocksalt structure sublattice, as narrow gap semiconductors with in...

  10. Corrosion and wear protective composition modulated alloy coatings based on ternary Ni-P-X alloys

    DEFF Research Database (Denmark)

    Leisner, P.; Benzon, M. E.; Christoffersen, Lasse; Panagopoulos, C. N.; Papachristos, V. D.; Katsikis, S.

    Scattered reporting in the litterature describes a number of ternary Ni-P-X alloyes (where X can be Co, Cr, Cu, Mo, Pd, Re or W) with promising corrosin and wear protective performance. Based on a systematic study of Ni-P-X alloys it is the intention to produce coatings with improved corrosion and...... wear performance compared with conventional coatings like electroless nickel, hard chromioum and anodised aluminium....

  11. Bandgap tunable colloidal Cu-based ternary and quaternary chalcogenide nanosheets via partial cation exchange

    Science.gov (United States)

    Ramasamy, Parthiban; Kim, Miri; Ra, Hyun-Soo; Kim, Jinkwon; Lee, Jong-Soo

    2016-04-01

    Copper based ternary and quaternary semiconductor nanostructures are of great interest for the fabrication of low cost photovoltaics. Although well-developed syntheses are available for zero dimensional (0D) nanoparticles, colloidal synthesis of two dimensional (2D) nanosheets remains a big challenge. Here we report, for the first time, a simple and reproducible cation exchange approach for 2D colloidal Cu2GeSe3, Cu2ZnGeSe4 and their alloyed Cu2GeSxSe3-x, Cu2ZnGeSxSe4-x nanosheets using pre-synthesized Cu2xSe nanosheets as a template. A mechanism for the formation of Cu2-xSe nanosheets has been studied in detail. In situ oxidation of Cu+ ions to form a CuSe secondary phase facilitates the formation of Cu2-xSe NSs. The obtained ternary and quaternary nanosheets have average lateral size in micrometers and thickness less than 5 nm. This method is general and can be extended to produce other important ternary semiconductor nanosheets such as CuIn1-xGaxSe2. The optical band gap of these nanosheets is tuned from 1 to 1.48 eV, depending on their composition.Copper based ternary and quaternary semiconductor nanostructures are of great interest for the fabrication of low cost photovoltaics. Although well-developed syntheses are available for zero dimensional (0D) nanoparticles, colloidal synthesis of two dimensional (2D) nanosheets remains a big challenge. Here we report, for the first time, a simple and reproducible cation exchange approach for 2D colloidal Cu2GeSe3, Cu2ZnGeSe4 and their alloyed Cu2GeSxSe3-x, Cu2ZnGeSxSe4-x nanosheets using pre-synthesized Cu2xSe nanosheets as a template. A mechanism for the formation of Cu2-xSe nanosheets has been studied in detail. In situ oxidation of Cu+ ions to form a CuSe secondary phase facilitates the formation of Cu2-xSe NSs. The obtained ternary and quaternary nanosheets have average lateral size in micrometers and thickness less than 5 nm. This method is general and can be extended to produce other important ternary

  12. Novel Stable Compounds in the C-H-O Ternary System at High Pressure.

    Science.gov (United States)

    Saleh, Gabriele; Oganov, Artem R

    2016-01-01

    The chemistry of the elements is heavily altered by high pressure, with stabilization of many new and often unexpected compounds, the emergence of which can profoundly change models of planetary interiors, where high pressure reigns. The C-H-O system is one of the most important planet-forming systems, but its high-pressure chemistry is not well known. Here, using state-of-the-art variable-composition evolutionary searches combined with quantum-mechanical calculations, we explore the C-H-O system at pressures up to 400 GPa. Besides uncovering new stable polymorphs of high-pressure elements and known molecules, we predicted the formation of new compounds. A 2CH4:3H2 inclusion compound forms at low pressure and remains stable up to 215 GPa. Carbonic acid (H2CO3), highly unstable at ambient conditions, was predicted to form exothermically at mild pressure (about 1 GPa). As pressure rises, it polymerizes and, above 314 GPa, reacts with water to form orthocarbonic acid (H4CO4). This unexpected high-pressure chemistry is rationalized by analyzing charge density and electron localization function distributions, and implications for general chemistry and planetary science are also discussed. PMID:27580525

  13. Magnetic ordering and Kondo compensation in the ternary heavy-fermion compound CeCu5Au

    International Nuclear Information System (INIS)

    The new ternary compound CeCu5Au is derived from the heavy-fermion system CeCu6 by replacing the Cu(2) site by Au. Measurements of the dc magnetization, the specific heat, the magnetocaloric effect, and the electrical resistivity on Czochralski-grown single crystals reveal a complex (B, T) phase diagram with probably two antiferromagnetic phases and one spin-flop phase. The Neel temperature was determined to TN = 2.3 K. The magneto-resistance exhibits several features which can partly be explained by the different antiferromagnetic phases. In addition to the antiferromagnetic order the observation of a large specific heat at very low temperatures (γ = C/T = 0.64 J/molK2 at T = 0.1 K) indicates the coexistence of antiferromagnetism and Kondo compensation. An analysis of the specific heat using the resonance-level model yields a Kondo temperature of TK = 1.8 K. The analysis for lower fields is complicated by the presence of magnetic order. In terms of a homogeneous model, TK = 1.0 K for B = 0 is inferred. The increase of TK with field and also the concentration dependence of TK can be qualitatively explained

  14. (Liquid + liquid) equilibrium for ternary mixtures of {l_brace}heptane + aromatic compounds + [EMpy][ESO{sub 4}]{r_brace} at T = 298.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Mirkhani, S.A. [Department of Chemical and Petroleum Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Vossoughi, M., E-mail: vosoughi@sharif.edu [Department of Chemical and Petroleum Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Pazuki, G.R. [Department of Chemical Engineering, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of); Safekordi, A.A. [Department of Chemical and Petroleum Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Heydari, A.; Akbari, J. [Department of Chemistry, Tarbiat Modares University, Tehran (Iran, Islamic Republic of); Yavari, M. [Department of Chemical and Petroleum Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of)

    2011-10-15

    Highlights: > This paper reports the LLE data of ternary systems {l_brace}heptane (1) + aromatic compounds (2) + [EMpy][ESO{sub 4}] (3){r_brace}. > The distribution coefficient and the selectivity were obtained from the experimental data. > The consistency of LLE data was successfully correlated with Othmer-Tobias and Hand equation. - Abstract: (Liquid + liquid) equilibrium (LLE) data for the ternary systems (heptane + toluene + 1-ethyl-3-methylpyridinium ethylsulfate) and (heptane + benzene + 1-ethyl-3-methylpyridinium ethylsulfate) were measured at T = 298.15 K and atmospheric pressure. The selectivity and aromatic distribution coefficients, calculated from the equilibrium data, were used to determine if this ionic liquid can be used as a potential extracting solvent for the separation of aromatic compounds from heptane. The consistency of tie-line data was ascertained by applying the Othmer-Tobias and Hand equations.

  15. Magnetotransport and magnetothermal properties of the ternary intermetallic compound TbFe2Al10.

    Science.gov (United States)

    Khandelwal, Ashish; Chattopadhyay, M K; Roy, S B

    2016-09-01

    We have studied the temperature and field dependences of electrical resistivity and heat capacity of TbFe2Al10, and have also complimented the above studies with low field magnetization measurements. In zero magnetic field, TbFe2Al10 exhibits paramagnetic (PM) to ferrimagnetic (Ferri-I) and Ferri-I to antiferromagnetic (AFM) phase transitions below 17.6 and 10 K respectively. We have found that the electrical resistivity of TbFe2Al10 exhibits a sharp rise across the PM to Ferri-I phase transition in this compound. Our analysis indicates that this sharp rise of electrical resistivity is related to the formation of new zone boundaries (across the PM to Ferri-I phase transition) that reduce the area of the Fermi surface. We have found that TbFe2Al10 exhibits large magnetoresistance (MR) below 100 K. Overall, the MR behaviour of TbFe2Al10 below 17.6 K in different magnetic fields reveals strong competition between AFM and ferromagnetic (FM) correlations, which seems to be quite intrinsic to the magnetic structure of the compound. Our analysis indicates that the large MR and magnetocaloric effect persisting deep inside the PM regime of TbFe2Al10 is mainly related to the presence of FM spin fluctuations and the formation of a Griffiths like (GL) phase consisting of FM clusters within the PM regime. The formation of the GL phase may be mediated by the static crystal defects in the midst of the competing inter and intra layer magnetic interactions. PMID:27385638

  16. Thermodynamic stability of Mg-based ternary long-period stacking ordered structures

    International Nuclear Information System (INIS)

    Mg alloys containing long-period stacking ordered (LPSO) structures exhibit remarkably high tensile yield strength and ductility. They have been found in a variety of ternary Mg systems of the general form Mg–XL–XS, where XL and XS are elements larger and smaller than Mg, respectively. In this work, we examine the thermodynamic stability of these LPSO precipitates with density functional theory, using a newly proposed structure model based on the inclusion of a Mg interstitial atom. We predict the stabilities for 14H and 18R LPSO structures for many Mg–XL–XL ternary systems: 85 systems consisting of XL = rare earths (RE) Sc, Y, La–Lu and XS = Zn, Al, Cu, Co, Ni. We predict thermodynamically stable LPSO phases in all systems where LPSO structures are observed. In addition, we predict several stable LPSO structures in new, as-yet-unobserved Mg–RE–XS systems. Many non-RE XL elements are also explored on the basis of size mismatch between Mg and XL, including Tl, Sb, Pb, Na, Te, Bi, Pa, Ca, Th, K, Sr—an additional 55 ternary systems. XL = Ca, Sr and Th are predicted to be most promising in terms of forming stable LPSO phases, particularly with XS = Zn. Lastly, several previously observed trends amongst known XL elements are examined. We find that favorable mixing energy between Mg and XL on the face-centered cubic lattice and the size mismatch together serve as excellent criteria determining XL LPSO formation

  17. Spectrum-Based Electrochemiluminescent Immunoassay with Ternary CdZnSe Nanocrystals as Labels.

    Science.gov (United States)

    Zhang, Xin; Tan, Xiao; Zhang, Bin; Miao, Wujian; Zou, Guizheng

    2016-07-01

    Conventional electrochemiluminescence (ECL) research has been performed by detecting the total photons (i.e., the ECL intensity). Herein, systematic spectral exploration on the ECL of dual-stabilizers-capped ternary CdZnSe nanocrystals (NCs) and its sensing application were carried out on a homemade ECL spectral acquiring system. The ternary CdZnSe NCs could be repeatedly injected with electrons via some electrochemical ways and then result in strong cathodic ECL with the coupling of ammonium persulfate. ECL spectrum of the CdZnSe NCs was almost identical to corresponding photoluminescence spectrum, indicating that the excited states of CdZnSe NCs in ECL were essentially the same as those in photoluminescence. Importantly, after being labeled to the probe antibody (Ab2) of α-fetal protein (AFP) antigen, the ternary NCs in the Ab2|NCs conjugates could preserve their ECL spectrum very well. A spectrum-based ECL immunoassay was consequently proposed with the CdZnSe NCs as ECL tags and AFP as target molecules. The limit of detection is 0.010 pg/mL, with a signal-to-noise (S/N) ratio of 3, indicating a sensitive ECL sensing strategy that was different from the conventional ones. This work might open a pathway to the spectrally resolved ECL analysis with even-higher S/N ratios than the fluorescent analysis. PMID:27266486

  18. Band gap and stability in the ternary intermetallic compounds NiSnM (M = Ti, Zr, Hf) A first principles study

    CERN Document Server

    Ogut, S

    1994-01-01

    The structural stability and electronic properties of the ternary intermetallic compounds NiSnM (M = Ti, Zr, Hf) and the closely related Heusler compounds Ni$_2$SnM are discussed using the results of ab initio pseudopotential total energy and band-structure calculations performed with a plane wave basis set using the conjugate gradients algorithm. The results characterize the lowest energy phase of NiSnM compounds, with a SnM rocksalt structure sublattice, as narrow gap semiconductors with indirect gaps near 0.5 eV. Two other atomic arrangements for NiSnM in the MgAgAs structure result in energetically unfavorable compounds that are metallic. The gap formation in the lowest energy structure of NiSnZr and relative stability of the three atomic arrangements are investigated within a tight-binding framework and by considering the decompositions of each ternary compound into a binary substructure plus a third element sublattice. The stabilization of the lowest energy phase of NiSnZr is found to be mainly due to t...

  19. Understanding ternary poly(potassium benzimidazolide)-based polymer electrolytes

    DEFF Research Database (Denmark)

    Aili, David; Jankova Atanasova, Katja; Han, Junyoung;

    2016-01-01

    swelling, high electrolyte uptake, dramatic plasticization and increase of the ion conductivity for the formed poly(potassium benzimidazolide)-based structure. Further increasing the concentration of the bulk solution to 50 wt.% resulted in dehydration and extensive crystallization of the polymer matrix......Poly(2,20-(m-phenylene)-5,50-bisbenzimidazole) (m-PBI) can dissolve large amounts of aqueous electrolytes to give materials with extraordinary high ion conductivity and the practical applicability has been demonstrated repeatedly in fuel cells, water electrolysers and as anion conducting component...

  20. Optimisation and Characterisation of Anti-Fouling Ternary SAM Layers for Impedance-Based Aptasensors

    Directory of Open Access Journals (Sweden)

    Anna Miodek

    2015-09-01

    Full Text Available An aptasensor with enhanced anti-fouling properties has been developed. As a case study, the aptasensor was designed with specificity for human thrombin. The sensing platform was developed on screen printed electrodes and is composed of a self-assembled monolayer made from a ternary mixture of 15-base thiolated DNA aptamers specific for human thrombin co-immobilised with 1,6-hexanedithiol (HDT and further passivated with 1-mercapto-6-hexanol (MCH. HDT binds to the surface by two of its thiol groups forming alkyl chain bridges and this architecture protects from non-specific attachment of molecules to the electrode surface. Using Electrochemical Impedance Spectroscopy (EIS, the aptasensor is able to detect human thrombin as variations in charge transfer resistance (Rct upon protein binding. After exposure to a high concentration of non-specific Bovine Serum Albumin (BSA solution, no changes in the Rct value were observed, highlighting the bio-fouling resistance of the surface generated. In this paper, we present the optimisation and characterisation of the aptasensor based on the ternary self-assembled monolayer (SAM layer. We show that anti-fouling properties depend on the type of gold surface used for biosensor construction, which was also confirmed by contact angle measurements. We further studied the ratio between aptamers and HDT, which can determine the specificity and selectivity of the sensing layer. We also report the influence of buffer pH and temperature used for incubation of electrodes with proteins on detection and anti-fouling properties. Finally, the stability of the aptasensor was studied by storage of modified electrodes for up to 28 days in different buffers and atmospheric conditions. Aptasensors based on ternary SAM layers are highly promising for clinical applications for detection of a range of proteins in real biological samples.

  1. Ternary fission

    Indian Academy of Sciences (India)

    M Balasubramaniam; K R Vijayaraghavan; C Karthikraj

    2015-09-01

    We present the ternary fission of 252Cf and 236U within a three-cluster model as well as in a level density approach. The competition between collinear and equatorial geometry is studied by calculating the ternary fragmentation potential as a function of the angle between the lines joining the stationary middle fragment and the two end fragments. The obtained results for the 16O accompanying ternary fission indicate that collinear configuration is preferred to equatorial configuration. Further, for all the possible third fragments, the potential energy surface (PES) is calculated corresponding to an arrangement in which the heaviest and the lightest fragments are considered at the end in a collinear configuration. The PES reveals several possible ternary modes including true ternary modes where the three fragments are of similar size. The complete mass distributions of Si and Ca which accompanied ternary fission of 236U is studied within a level density picture. The obtained results favour several possible ternary combinations.

  2. Theoretical Prediction of Topological Insulators in Thallium-based III-V-VI$_2$ Ternary Chalcogenides

    OpenAIRE

    Yan, Binghai; Liu, Chao-Xing; Zhang, Hai-Jun; Yam, Chi-Yung; Qi, Xiao-Liang; Frauenheim, Thomas; Zhang, Shou-Cheng

    2010-01-01

    We predict a new class of three dimensional topological insulators in thallium-based III-V-VI$_2$ ternary chalcogenides, including TlBiQ$_2$ and TlSbQ$_2$ (Q = Te, Se and S). These topological insulators have robust and simple surface states consisting of a single Dirac cone at the $\\Gamma$ point. The mechanism for topological insulating behavior is elucidated using both first principle calculations and effective field theory models. Remarkably, one topological insulator in this class, TlBiTe...

  3. Synthesis and structure investigation of ternary oxides based on molybdenum and lanthanum

    Energy Technology Data Exchange (ETDEWEB)

    Bissengaliyeva, Mira R., E-mail: 160655@mail.ru [Institute of Problems of Complex Development of Mineral Resources, Ippodromnaya Street 5, 100019 Karaganda (Kazakhstan); Bekturganov, Nuraly S. [National Scientific-Technological Holding “Parasat”, Republic Avenue 18, 010000 Astana (Kazakhstan); Gogol, Daniil B. [Institute of Problems of Complex Development of Mineral Resources, Ippodromnaya Street 5, 100019 Karaganda (Kazakhstan); Knyazev, Alexander V. [N.I. Lobachevsky State University of Nizhniy Novgorod, Gagarin Avenue 23, 603950 Nizhniy Novgorod (Russian Federation); Smolenkov, Yuriy Yu.; Taimassova, Shynar T. [Institute of Problems of Complex Development of Mineral Resources, Ippodromnaya Street 5, 100019 Karaganda (Kazakhstan); Balbekova, Bakhyt K. [Karaganda State Technical University, Mira Boulevard 56, 100027 Karaganda (Kazakhstan); Babich, Boris P. [Irtysh Rare Earths Company Ltd., 071809 Pervomaysky Settlement, Shemonaihinsky Region, East Kazakhstan Province (Kazakhstan)

    2015-05-01

    Compounds of the ternary oxides class with formulae MgLa{sub 2}MoO{sub 7} and CaLa{sub 2}MoO{sub 7} were synthesized by the citrate method. According to the SEM and X-ray analysis data the samples are referred to pyrochlore with a tetragonal (MgLa{sub 2}MoO{sub 7}) and monoclinic (CaLa{sub 2}MoO{sub 7}) crystal lattice. At the temperature of 900 °C the compound CaLa{sub 2}MoO{sub 7} is subjected to phase transition from the monoclinic crystal system to the cubic one. According to the differential thermal analysis data, this transition occurs through the intermediate states characterized by non-monotonic changes of lattice parameters of the unit cell. In general, the compounds are characterized by minor structural distortions compared with the cubic structure of pyrochlore. - Highlights: • Samples of lanthanum–molybdenum pyrochlores MgLa{sub 2}MoO{sub 7} and CaLa{sub 2}MoO{sub 7} are synthesized. • The X-ray diffraction study, SEM, IR and DTA investigations were carried out. • Structural parameters of the samples at room and high temperature were determined.

  4. Improved Activity Assay Method for Arginine Kinase Based on a Ternary Heteropolyacid System

    Institute of Scientific and Technical Information of China (English)

    陈宝玉; 郭勤; 郭智; 王希成

    2003-01-01

    This paper presents a new system for the activity assay of arginine kinase (AK), based on the spectrophotometric determination of an ascorbic acid-reduced blue ternary heteropolyacid composed of bismuth, molybdate and the released phosphate from N-phospho-L-arginine (PArg) formed in the forward catalysis reaction.The assay conditions, including the formulation of the phosphate determination reagent (PDR), the assay timing, and the linear activity range of the enzyme concentration, have been tested and optimized.For these conditions, the ternary heteropolyacid color is completely developed within 1 min and is stable for at least 15 min, with an absorbance maximum at 700 nm and a molar extinction coefficient of 15.97 (mmol/L)-1 · cm-1 for the phosphate.Standard curves for phosphate show a good linearity of 0.999.Compared with previous activity assay methods for AK, this system exhibits superior sensitivity, reproducibility, and adaptability to various conditions in enzymological studies.This method also reduces the assay time and avoids the use of some expensive instruments and reagents.

  5. Effect of ternary alloying elements on microstructure and mechanical property of Nb-Si based refractory intermetallic alloy

    International Nuclear Information System (INIS)

    Microstructure and mechanical property at room temperature and at 1773 K of Nb-Si based refractory intermetallic alloys were investigated in terms of compression and fracture toughness test. Mo and V were chosen as ternary alloying elements because of their high melting points, atomic sizes smaller than Nb. Both ternary alloying elements were found to have a significant role in modifying the microstructure from dispersed structure to eutectic-like structure in Nb solid solution/Nb5Si3 intermetallic composites. The 0.2% offset yield strength at room temperature increased with increasing content of ternary elements in Nb solid solution and volume fraction of Nb5Si3. At 1773 K, Mo addition has a positive role in increasing the yield strength. On the other hand, V addition has a role in decreasing the yield strength. The fracture toughness of ternary alloys was superior to binary alloys. Details will be discussed in correlation with ternary alloying, volume fraction of constituent phase, and the microstructure. (orig.)

  6. Ternary Fission

    International Nuclear Information System (INIS)

    The fission process in which heavy nuclei fragment into three large charged panicles, in place of the usual two, has been studied in the case of thermal-neutron-induced fission of U235 and the spontaneous fission of Cf252. Solid-state detectors, a fast triple coincidence system and a three-coincident-parameter analyser were used to measure the three fission fragment energies parallel with the detection of each ternary fission event. Experimental evidence is presented supporting the existence of ternary fission by specifically excluding recoil phenomena and accidental events as contributing to the observed three-fold coincidence events. Mass-energy-angular correlations of ternary fission have been determined and are summarized as follows: The total kinetic energy release in ternary fission appears to be slightly higher (by approximately 10 MeV) than that for binary fission. In the case of the spontaneous ternary fission of Cf252, the frequency of occurrence is observed to be greater than 2.2 x 10-6 ternary fission events per binary fission event. Tripartition of Cf252 results preferentially in division into two medium mass particle (one of which has a mass number near 56) and one larger mass. In the case of thermal-neutron-induced fission of U235, the frequency of occurrence is observed to be greater than 1.2 x 10-6 ternary fission events per binary fission event. Ternary fission of U236: results in the formation of one light fragment (near mass 36) and two large fragments or, as in the case of Cf252, two medium fragments and one large one. These results indicate that axially asymmetric distortion modes are possible in the pre-scission configurations of the fissioning nucleus. A description is given of experiments designed to radiochemically detect the light fragment resulting from ternary fission. (author)

  7. Miedema model based methodology to predict amorphous-forming-composition range in binary and ternary systems

    Energy Technology Data Exchange (ETDEWEB)

    Das, N., E-mail: nirupamd@barc.gov.in [Materials Science Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Mittra, J. [Materials Science Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Murty, B.S. [Department of Metallurgical and Materials Engineering, IIT Madras, Chennai 600 036 (India); Pabi, S.K. [Department of Metallurgical and Materials Engineering, IIT Kharagpur, Kharagpur 721 302 (India); Kulkarni, U.D.; Dey, G.K. [Materials Science Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

    2013-02-15

    Highlights: Black-Right-Pointing-Pointer A methodology was proposed to predict amorphous forming compositions (AFCs). Black-Right-Pointing-Pointer Chemical contribution to enthalpy of mixing {proportional_to} enthalpy of amorphous for AFCs. Black-Right-Pointing-Pointer Accuracy in the prediction of AFC-range was noticed in Al-Ni-Ti system. Black-Right-Pointing-Pointer Mechanical alloying (MA) results of Al-Ni-Ti followed the predicted AFC-range. Black-Right-Pointing-Pointer Earlier MA results of Al-Ni-Ti also conformed to the predicted AFC-range. - Abstract: From the earlier works on the prediction of amorphous forming composition range (AFCR) using Miedema based model and also, on mechanical alloying experiments it has been observed that all amorphous forming compositions of a given alloy system falls within a linear band when the chemical contribution to enthalpy of the solid solution ({Delta}H{sup ss}) is plotted against the enthalpy of mixing in the amorphous phase ({Delta}H{sup amor}). On the basis of this observation, a methodology has been proposed in this article to identify the AFCR of a ternary system that is likely to be more precise than what can be obtained using {Delta}H{sup amor} - {Delta}H{sup ss} < 0 criterion. MA experiments on various compositions of Al-Ni-Ti system, producing amorphous, crystalline, and mixture of amorphous plus crystalline phases have been carried out and the phases have been characterized using X-ray diffraction and transmission electron microscopy techniques. Data from the present MA experiments and, also, from the literature have been used to validate the proposed approach. Also, the proximity of compositions, producing a mixture of amorphous and crystalline phases to the boundary of AFCR in the Al-Ni-Ti ternary has been found useful to validate the effectiveness of the prediction.

  8. Preparation and mass spectrometrical high temperature investigations on compounds of the quasi-ternary system Cs2O-Al2O3-SiO2

    International Nuclear Information System (INIS)

    Additions of aluminium oxide and silicen oxide to ceramic fuel for pyrocarbon-coated nuclear fuel paticles counteract a release of fission-cesium by compound formation. The vapourization tests carried out here using samples from the quasi-ternary system cesium-oxide-aluminium-oxide-silicon-oxide by means of high-temperature mass spectroscopy using a Knudsen cell served the optimization of this retention effect. The aim of the apparative changes on the knudsen cell were to shield heat radiation on the temperature measuring borehole through the tungsten wire cathode in order to be able to perform exact temperature measurements even below 1,0000C. A new method of preparation was developed to obtain defined cesium aluminium silicates whose composition was determined by Guinier and goniometer pictures as well as by microscopic investigations. According to the latter, 3 ternary compounds are present in the system investigated: CsAlSiO4, CsAlSi2O6 and CsAlSi5O12. Their lattice constants were determined from goniometric measurements; the vapour pressure equection were set up from the measured cesium vapour pressure values over each sample and the enthalpies of the vapourization reactions were found to be 84 kcal for CsAlSiO4 at 1,4000K, 100 kcal for CsAlSi2O6 at 1,5500K and 122 kcal for CsAlSi5O12 at 1,6500K. The cesium vapour pressures of the glas phases investigated of the system are above the Cs partial pressures of the solid crystalline phases of the same composition. The results of the work explain the causes of the reduction of the Cs release and show that the vapour pressure can be lowered by more than 10 orders of magnitude at reactor relevant temperatures by compound formation. (RB)

  9. Ab initio investigation of the electronic structure and bonding properties of the layered ternary compound Ti sub 3 SiC sub 2 at high pressure

    CERN Document Server

    Wang, J Y

    2003-01-01

    The pressure dependences of the lattice parameters, electronic structure, and bonding properties of the layered ternary compound Ti sub 3 SiC sub 2 were investigated by performing ab initio plane-wave pseudopotential total energy calculations. The material exhibited elastic anisotropy. The lattice constants and axial ratio were studied for different pressures, and the same trend was obtained as is measured in experiment. It was found that although the structure was stable at high pressure, the electronic structure and atomic bonding were definitely affected. The electrical conductivity was predicted to reduce with pressure, which was interpreted by analysing the band dispersion curve and density of states at the Fermi level. The strengths of the atomic bonds in Ti sub 3 SiC sub 2 were considered by analysing the Mulliken population and by examining the bond length contraction for various pressures. A redistribution of charge density that accompanied high pressures was also revealed.

  10. Perfluoro anion based binary and ternary ionic liquids as electrolytes for dye-sensitized solar cells

    Science.gov (United States)

    Lin, Hsi-Hsin; Peng, Jia-De; Suryanarayanan, V.; Velayutham, D.; Ho, Kuo-Chuan

    2016-04-01

    In this work, eight new ionic liquids (ILs) based on triethylammonium (TEA) or n-methylpiperidinium (NMP) cations and perfluoro carboxylate (PFC) anions having different carbon chain lengths are synthesized and their physico-chemical properties such as density, decomposition temperature, viscosity and conductivity are determined. Photovoltaic characteristics of dye-sensitized solar cells (DSSCs) with binary ionic liquids electrolytes, containing the mixture of the synthesized ILs and 1-methyl-3-propyl imidazolium iodide (PMII) (v/v = 35/65), are evaluated. Among the different ILs, solar cells containing NMP based ILs show higher VOC than that of TEA, whereas, higher JSC is noted for the DSSCs incorporated with the latter when compared to the former. Further, the photo-current of the DSSCs decreases with the increase of the carbon chain length of perfluoro carboxylate anionic group of ILs. The cell performance of the DSSC containing ternary ionic liquids-based electrolytes compose of NMP-2C/TEA-2C/PMII (v/v/v = 28/7/65) exhibits a JSC of 12.99 mA cm-2, a VOC of 639.0 mV, a FF of 0.72, and a cell efficiency of 6.01%. The extraordinary durability of the DSSC containing the above combination of electrolytes stored in dark at 50 °C is proved to be unfailing up to 1200 h.

  11. First-principles study of ternary graphite compounds cointercalated with alkali atoms (Li, Na, and K) and alkylamines towards alkali ion battery applications

    Science.gov (United States)

    Ri, Gum-Chol; Yu, Chol-Jun; Kim, Jin-Song; Hong, Song-Nam; Jong, Un-Gi; Ri, Mun-Hyok

    2016-08-01

    First-principles calculations were carried out to investigate the structural, energetic, and electronic properties of ternary graphite compounds cointercalated with alkali atoms (AM = Li, Na, and K) and normal alkylamine molecules (nCx; x = 1, 2, 3, 4), denoted as AM-nCx-GICs. From the optimization of the orthorhombic unit cells for the crystalline compounds, it was found that, with the increase in the atomic number of alkali atoms, the layer separations decrease in contrast to AM-GICs, while the bond lengths between alkali atoms and graphene layer, and nitrogen atom of alkylamine increase. The calculated formation energies and interlayer binding energies of AM-nC3-GICs indicate that the compounds is increasingly stabilized from Li to K, and the energy barriers for migration of alkali atoms suggest that alkali cation with larger ionic radius diffuses more smoothly in graphite, being similar to AM-GICs. Through the analysis of electronic properties, it was established that more extent of electronic charge is transferred from more electropositive alkali atom to the carbon ring of graphene layer, and the hybridization of valence electron orbitals between alkylamine molecules and graphene layer is occurred.

  12. Large scale simulations of the mechanical properties of layered transition metal ternary compounds for fossil energy power system applications

    Energy Technology Data Exchange (ETDEWEB)

    Ching, Wai-Yim [Univ. of Missouri, Kansas City, MO (United States)

    2014-12-31

    Advanced materials with applications in extreme conditions such as high temperature, high pressure, and corrosive environments play a critical role in the development of new technologies to significantly improve the performance of different types of power plants. Materials that are currently employed in fossil energy conversion systems are typically the Ni-based alloys and stainless steels that have already reached their ultimate performance limits. Incremental improvements are unlikely to meet the more stringent requirements aimed at increased efficiency and reduce risks while addressing environmental concerns and keeping costs low. Computational studies can lead the way in the search for novel materials or for significant improvements in existing materials that can meet such requirements. Detailed computational studies with sufficient predictive power can provide an atomistic level understanding of the key characteristics that lead to desirable properties. This project focuses on the comprehensive study of a new class of materials called MAX phases, or Mn+1AXn (M = a transition metal, A = Al or other group III, IV, and V elements, X = C or N). The MAX phases are layered transition metal carbides or nitrides with a rare combination of metallic and ceramic properties. Due to their unique structural arrangements and special types of bonding, these thermodynamically stable alloys possess some of the most outstanding properties. We used a genomic approach in screening a large number of potential MAX phases and established a database for 665 viable MAX compounds on the structure, mechanical and electronic properties and investigated the correlations between them. This database if then used as a tool for materials informatics for further exploration of this class of intermetallic compounds.

  13. Multinuclear high-resolution NMR study of compounds from the ternary system NaF-CaF2-AlF3: from determination to modeling of NMR parameters.

    Science.gov (United States)

    Martineau, C; Body, M; Legein, C; Silly, G; Buzaré, J-Y; Fayon, F

    2006-12-11

    27Al and 23Na NMR satellite transition spectroscopy and 3Q magic-angle-spinning spectra are recorded for three compounds from the ternary NaF-CaF2-AlF3 system. The quadrupolar frequency nuQ, asymmetry parameter etaQ, and isotropic chemical shift deltaiso are extracted from the spectrum reconstructions for five aluminum and four sodium sites. The quadrupolar parameters are calculated using the LAPW-based ab initio code WIEN2k. It is necessary to perform a structure optimization of all compounds to ensure a fine agreement between experimental and calculated parameters. By a comparison of experimental and calculated values, an attribution of all of the 27Al and 23Na NMR lines to the crystallographic sites is achieved. High-speed 19F NMR MAS spectra are recorded and reconstructed for the same compounds, leading to the determination of 18 isotropic chemical shifts. The superposition model developed by Bureau et al. is used, allowing a bijective assignment of the 19F NMR lines to the crystallographic sites. PMID:17140229

  14. Automated Facial Expression Recognition Using Gradient-Based Ternary Texture Patterns

    Directory of Open Access Journals (Sweden)

    Faisal Ahmed

    2013-01-01

    Full Text Available Recognition of human expression from facial image is an interesting research area, which has received increasing attention in the recent years. A robust and effective facial feature descriptor is the key to designing a successful expression recognition system. Although much progress has been made, deriving a face feature descriptor that can perform consistently under changing environment is still a difficult and challenging task. In this paper, we present the gradient local ternary pattern (GLTP—a discriminative local texture feature for representing facial expression. The proposed GLTP operator encodes the local texture of an image by computing the gradient magnitudes of the local neighborhood and quantizing those values in three discrimination levels. The location and occurrence information of the resulting micropatterns is then used as the face feature descriptor. The performance of the proposed method has been evaluated for the person-independent face expression recognition task. Experiments with prototypic expression images from the Cohn-Kanade (CK face expression database validate that the GLTP feature descriptor can effectively encode the facial texture and thus achieves improved recognition performance than some well-known appearance-based facial features.

  15. Photocytotoxic ternary copper(II) complexes of histamine Schiff base and pyridyl ligands

    Indian Academy of Sciences (India)

    Samya Banerjee; Akanksha Dixit; K Sesha Maheswaramma; Basudev Maity; Sanjoy Mukherjee; Arun Kumar; Anjali A Karande; Akhil R Chakravarty

    2016-02-01

    Ternary copper(II) complexes of salicylaldehyde-histamine Schiff base (HL) and pyridyl ligands, viz. [Cu(bpy)(L)](ClO4) (1) and [Cu(dppz)(L)](ClO4) (2), where bpy is 2,2′-bipyridine (in 1) and dppz is dipyrido[3,2-a:2′,3′-c]phenazine (in 2), were synthesized, characterized and their DNA binding, photo-activated DNA cleavage activity and photocytotoxicity studied. The 1:1 electrolytic one-electron paramagnetic complexes showed a d-d band near 670 nm in aqueous DMF (1:1 v/v). The crystal structure of complex 1 showed the metal in CuN4O distorted square-pyramidal geometry. Complex 2 intercalatively binds to calf-thymus (ct) DNA with a binding constant (b) of ∼105 M−1. It exhibited moderate chemical nuclease activity but excellent DNA photocleavage activity in red light of 647 nm forming $^{\\bullet}\\text{OH}$ radicals. It showed remarkable photocytotoxicity in human cervical cancer cells (HeLa) giving IC50 of 1.6 M in visible light (400-700 nm) with low dark toxicity. The photo-induced cell death is via generation of oxidative stress by reactive oxygen species.

  16. Polytypic Nanocrystals of Cu-Based Ternary Chalcogenides: Colloidal Synthesis and Photoelectrochemical Properties.

    Science.gov (United States)

    Wu, Liang; Chen, Shi-You; Fan, Feng-Jia; Zhuang, Tao-Tao; Dai, Chen-Min; Yu, Shu-Hong

    2016-05-01

    Heterocrystalline polytype nanostructured semiconductors have been attracting more and more attention in recent years due to their novel structures and special interfaces. Up to now, controlled polytypic nanostructures are mostly realized in II-VI and III-V semiconductors. Herein, we report the synthesis and photoelectrochemical properties of Cu-based ternary I-III-VI2 chalcogenide polytypic nanocrystals, with a focus on polytypic CuInS2 (CIS), CuInSe2 (CISe), and CuIn(S0.5Se0.5)2 alloy nanocrystals. Each obtained polytypic nanocrystal is constructed with a wurtzite hexagonal column and a zinc blende/chalcopyrite cusp, regardless of the S/Se ratio. The growth mechanisms of polytypic CIS and CISe nanocrystals have been studied by time-dependent experiments. The polytypic nanocrystals are solution-deposited on indium-tin oxide glass substrate and used as a photoelectrode, thus showing stable photoelectrochemical activity in aqueous solution. Density functional theory calculation was used to study the electronic structure and the band gap alignment. This versatile synthetic method provides a new route for synthesis of novel polytypic nanostructured semiconductors with unique properties. PMID:27063512

  17. New ternary CeScSi-type RTi0.85Mo0.15Ge compounds (R=Gd-Tm,Lu)

    International Nuclear Information System (INIS)

    Investigations made by powder X-ray diffraction on new ternary RTi0.85Mo0.15Ge compounds (R=Gd-Tm,Lu) are reported. The compounds GdTi0.85Mo0.15Ge (a=0.4032(1) nm,c=1.5467(1) nm),TbTi0.85Mo0.15Ge(a=0.4014(1) nm,c=1.5315(1) nm),DyTi0.85Mo0.15Ge(a=0.4010(1) nm,c=1.5264(1) nm),HoTi0.85Mo0.15Ge(a=0.3990(1) nm,c=1.5144(1) nm),ErTi0.85Mo0.15Ge(a=0.3993(1) nm,c=1.5107(2) nm),TmTi0.85Mo0.15Ge(a=0.3970(1) nm, c=1.5004(2) nm) and LuTi0.85Mo0.15(a=0.3955(1) nm,c=1.4875(3) nm) crystallize in the tetragonal CeScSi-type structure (space group I4/mmm). (orig.)

  18. Nitriding of iron-based ternary Fe–V–Si alloy: The precipitation process of separate nitrides

    International Nuclear Information System (INIS)

    Iron-based ternary Fe–V–Si and binary Fe–Si alloy specimens were nitrided in a NH3/H2 gas mixture at 580 °C (853 K) with a nitriding potential of rN = 0.1 atm−1/2 until nitrogen saturation in the specimens was achieved. In contrast to previously investigated iron-based ternary Fe–Al–Cr and Fe–Ti–Cr alloys, no so-called “mixed” nitrides developed in the Fe–V–Si alloy. Instead, in the first stage, all vanadium precipitated as crystalline VN and, subsequently, all silicon precipitated as amorphous Si3N4. Moreover, the precipitation rate of Si3N4 in the nitrided ternary Fe–V–Si alloy was much lower than in the binary Fe–Si alloy nitrided under identical conditions. This much lower Si3N4-precipitation rate is attributed to the presence of first precipitated VN: coherency strains caused by the (semi-) coherent VN precipitates interact with the strain fields surrounding the Si3N4 precipitates and are obstacles to the movement of dislocations necessarily introduced in the ferrite matrix by growing Si3N4 precipitates. This interpretation is supported by additional experiments, in which the first precipitated VN platelets were coarsened by annealing before subsequent nitriding led to, now much faster, Si3N4 precipitation

  19. Sn-Sb-Se based binary and ternary alloys for phase change memory applications

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Kyung-Min

    2008-10-28

    In this work, the effect of replacing Ge by Sn and Te by Se was studied for a systematic understanding and prediction of new potential candidates for phase change random access memories applications. The temperature dependence of the electrical/structural properties and crystallization kinetics of the Sn-Se based binary and Sn-Sb-Se based ternary alloys were determined and compared with those of the GeTe and Ge-Sb-Te system. The temperature dependence of electrical and structural properties were investigated by van der Pauw measurements, X-ray diffraction, X-ray reflectometry. By varying the heating rate, the Kissinger analysis has been used to determine the combined activation barrier for crystallization. To screen the kinetics of crystallization, a static laser tester was employed. In case of binary alloys of the type Sn{sub x}Se{sub 1-x}, the most interesting candidate is SnSe{sub 2} since it crystallizes into a single crystalline phase and has high electrical contrast and reasonably high activation energy for crystallization. In addition, the SnSe{sub 2}-Sb{sub 2}Se{sub 3} pseudobinary alloy system also might be sufficient for data retention due to their higher transition temperature and activation energy for crystallization in comparison to GeTe-Sb{sub 2}Te{sub 3} system. Furthermore, SnSe{sub 2}-Sb{sub 2}Se{sub 3} pseudobinary alloys have a higher crystalline resistivity. The desired rapid crystallization speed can be obtained for Sn{sub 1}Sb{sub 2}Se{sub 5} and Sn{sub 2}Sb{sub 2}Se{sub 7} alloys. (orig.)

  20. Nanoassembly of Polydisperse Photonic Crystals based on Binary and Ternary Polymer Opal Alloys

    CERN Document Server

    Zhao, Qibin; Schafer, Christian; Spahn, Peter; Gallei, Markus; Herrmann, Lars; Petukhov, Andrei; Baumberg, Jeremy J

    2016-01-01

    Ordered binary and ternary photonic crystals, composed of different sized polymer-composite spheres with diameter ratios up to 120%, are generated using bending induced oscillatory shearing (BIOS). This viscoelastic system creates polydisperse equilibrium structures, producing mixed opaline colored films with greatly reduced requirements for particle monodispersity, and very different sphere size ratios, compared to other methods of nano-assembly.

  1. Cyclodextrin based ternary system of modafinil: Effect of trimethyl chitosan and polyvinylpyrrolidone as complexing agents.

    Science.gov (United States)

    Patel, Parth; Agrawal, Y K; Sarvaiya, Jayrajsinh

    2016-03-01

    Modafinil is an approved drug for the treatment of narcolepsy and have a strong market presence in many countries. The drug is widely consumed for off-label uses and currently listed as a restricted drug. Modafinil has very low water solubility. To enhance the aqueous solubility of modafinil by the formation of a ternary complex with Hydroxypropyl-β-cyclodextrin and two hydrophilic polymers was the main objective of the present study. Pyrrolidone (PVP K30) and a water soluble chitosan derivative, trimethyl chitosan (TMC) were studied by solution state and solid state characterization methods for their discriminatory efficiency in solubility enhancement of modafinil. Phase solubility study depicted the highest complexation efficiency (2.22) of cyclodextrin derivative in the presence of TMC compared to the same in the presence of PVP K30 (0.08) and in the absence of any polymer (0.92). FT-IR analysis of binary and ternary complex expressed comparable contribution of both polymers in formation of inclusion complex. The thermal behaviour of binary and ternary complex, involving individual polymers disclosed the influence of TMC on polymorphism of the drug. DSC study revealed efficiency of TMC to prevent conversion of metastable polymorphic form to stable polymorphic form. Ternary complex, involving TMC enhanced water solubility of the drug 1.5 times more compared to the binary complex of the drug whereas PVP K30 reduced the Solubility. PMID:26697780

  2. Ternary semiconductor compounds CuInS2 (CIS) thin films synthesized by electrochemical atomic layer deposition (EC-ALD)

    International Nuclear Information System (INIS)

    In this paper the formation and characterization of the I-III-VI2 semiconductor compound CuInS2 (CIS) on gold substrate at room temperature by electrochemical atomic layer deposition (EC-ALD) method are reported. Optimum deposition potentials for each element are determined using cyclic voltammetry (CV) technique and Amperometric I-t method is used to prepare the semiconductor compound. These thin films were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FE-SEM) and Fourier transform infrared spectroscopy (FT-IR). XRD results indicate that the CIS thin films have a (1 1 2) preferred orientation. The XPS analyses of the films reveal that Cu, In and S are present in an atomic ratio of approximately 1:1:2. And their semiconductor band gaps are found to be 1.50 eV by FT-IR.

  3. Photoemission study of the uranium ternary compounds U3T3X4 (T = Ni, Cu; X = Sn, Sb)

    International Nuclear Information System (INIS)

    Valence-band structures of U3Ni3Sn4, U3Ni3Sb4, U3Cu3Sn4 and U3Cu3Sb4 ranging from a semiconductor to a heavy fermion system, are studied using photemission spectroscopy with synchrotron radiation. We found that the Ni 3d band in U3Ni3Sn4 is not fully filled up, the Cu 3d states in the ferromagnet U3Cu3Sb4 are strongly hybridized with the Sb 5p states, but the 3d states localized in the heavy-fermion compound U3Cu3Sn4. However, the U 5f emission spectra obtained by the resonant photoemission technique are nearly identical for all compounds and have an asymmetric peak of 1.6 eV in width. (author)

  4. Covalent bonding and band-gap formation in ternary transition-metal di-aluminides: Al4MnCo and related compounds

    International Nuclear Information System (INIS)

    In this paper we extend our previous study of the electronic structure of and bonding mechanism in transition-metal (TM) di-aluminides to ternary systems. We have studied the character of the bonding in Al4MnCo and related TM di-aluminides in the C11b (MoSi2) and C54 (TiSi2) crystal structures. A peculiar feature of the electronic structure of these TM di-aluminides is the existence of a semiconducting gap at the Fermi level. In our previous work we predicted a gap in Al2TM compounds where the TM atoms have eight valence electrons. Here we demonstrate that the semiconducting gap does not disappear if the TM sites are occupied by two different TMs, provided that the electron-per-atom ratio is conserved. Such a replacement substantially increases the class of possibly semiconducting TM di-aluminides. Substitution for 3d TMs of 4d or 5d TMs enhances the width of the gap. From the analysis of the charge density distribution and the crystal orbital overlap population, we conclude that the bonding between atoms has dominantly covalent character. This is confirmed not only by the enhanced charge density halfway between atoms, but also by the clear bonding-antibonding splitting of the electronic states. If the gaps between split states that correspond to all bonding configurations in the crystal have a common overlap at the Fermi level, the intermetallic compound becomes a semiconductor. However, the results of the total-energy calculations suggest that the existence of a band gap does not necessarily imply a stable structure. Strong covalent bonds can exist also in Al-TM structures where no band gap is observed. (author)

  5. Bioinspired Ternary Artificial Nacre Nanocomposites Based on Reduced Graphene Oxide and Nanofibrillar Cellulose.

    Science.gov (United States)

    Duan, Jianli; Gong, Shanshan; Gao, Yuan; Xie, Xiaolin; Jiang, Lei; Cheng, Qunfeng

    2016-04-27

    Inspired by the nacre, we demonstrated the integrated ternary artificial nacre nanocomposites through synergistic toughening of graphene oxide (GO) and nanofibrillar cellulose (NFC). In addition, the covalent bonding was introduced between adjacent GO nanosheets. The synergistic toughening effects from building blocks of one-dimensional NFC and two-dimensional GO, interface interactions of hydrogen and covalent bonding together result in the integrated mechanical properties including high tensile strength, toughness, and fatigue life as well as high electrical conductivity. These extraordinary properties of the ternary synthetic nacre nanocomposites allow the support for advances in diverse strategic fields including stretchable electronics, transportation, and energy. Such bioinspired strategy also provides a new insight in designing novel multifunctional nanocomposites. PMID:27054460

  6. The Doniach diagram and hydrogenation of the ternary compounds CePdIn and CePdSn

    OpenAIRE

    Chevalier, Bernard; Wattiaux, Alain; Bobet, Jean-Louis

    2006-01-01

    The process of hydrogenation of the antiferromagnetic compounds CePdIn and CePdSn has been studied. Investigation of the new hydrides CePdInH and CePdSnH by means of x-ray powder diffraction reveals that they adopt the same crystal symmetry as the original intermetallic but the unit cell volume increases during the hydrogenation. Magnetization, electrical resistivity, thermoelectric power and 119Sn Mössbauer spectroscopy measurements reveal that CePdInH and CePdSnH order antiferromagnetically...

  7. Automated Facial Expression Recognition Using Gradient-Based Ternary Texture Patterns

    OpenAIRE

    Faisal Ahmed; Emam Hossain

    2013-01-01

    Recognition of human expression from facial image is an interesting research area, which has received increasing attention in the recent years. A robust and effective facial feature descriptor is the key to designing a successful expression recognition system. Although much progress has been made, deriving a face feature descriptor that can perform consistently under changing environment is still a difficult and challenging task. In this paper, we present the gradient local ternary pattern (G...

  8. Activity Coefficient Derivatives of Ternary Systems Based on Scatchard's Neutral Electrolyte description

    Energy Technology Data Exchange (ETDEWEB)

    Miller, D G

    2007-05-16

    Activity coefficient derivatives with respect to molality are presented for the Scatchard Neutral Electrolyte description of a ternary common-ion electrolyte system. These quantities are needed for the calculation of 'diffusion Onsager coefficients' and in turn for tests of the Onsager Reciprocal Relations in diffusion. The usually-omitted b{sub 23} term is included. The direct SNE binary approximations and a further approximation are discussed. Binary evaluation strategies other than constant ionic strength are considered.

  9. 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...... metal atom (M2) plus two to five (BH4)− groups, i.e., M1M2(BH4)2–5, using a number of model structures with trigonal, tetrahedral, octahedral, and free coordination of the metal borohydride complexes. Of the over 700 investigated structures, about 20 were predicted to form potentially stable alloys with...

  10. Plasmonic-resonance-based ternary composite complementary enhancement of the performance of dye-sensitized solar cells.

    Science.gov (United States)

    Bai, Lihua; Li, Meiya; Liu, Xiaolian; Luoshan, Mengdai; Zhang, Feng; Guo, Kaimo; Zhu, Yongdan; Sun, Beilei; Zhao, Xingzhong

    2016-10-14

    Graphene (G), TiO2 fusiform nanorods (TiO2NRs) adsorbed with Au nanoparticles (AuNPs) are prepared and blended as multifunctional materials into TiO2 nanocrystalline film to form a novel ternary (G-TiO2NRs-Au) composite photoanode in dye-sensitized solar cells (DSSCs). The effects of G-TiO2NRs-Au on the properties of the photoanode and DSSC are investigated. Results show that, by blending G-TiO2NRs-Au, the light absorption and scattering of the photoanode are obviously improved, and the charge transfer resistance R2 and electron recombination are decreased, resulting in a significant enhancement in the short-circuit current density (J sc) and the photoelectric conversion efficiency (PCE) of the DSSCs. The maximum J sc of 17.66 mA cm(-2) and PCE of 8.56% are obtained in the optimal G-TiO2NRs-Au-based DSSC, about 33.6% and 35.0% higher than that obtained in the conventional TiO2-based DSSC. This significant improvement in the performance of the DSSC can be attributed to the ternary composite complementary effects of multi-functions from the surface plasmon resonance of AuNPs, light scattering of TiO2NRs, and the improved dye loading and fast electron transmission channel from graphene. This study provides an effective way of ternary composite complementary enhancement of the J sc and PCE of the DSSCs. PMID:27595326

  11. Quantum dot ternary-valued full-adder: Logic synthesis by a multiobjective design optimization based on a genetic algorithm

    International Nuclear Information System (INIS)

    A methodology is proposed for designing a low-energy consuming ternary-valued full adder based on a quantum dot (QD) electrostatically coupled with a single electron transistor operating as a charge sensor. The methodology is based on design optimization: the values of the physical parameters of the system required for implementing the logic operations are optimized using a multiobjective genetic algorithm. The searching space is determined by elements of the capacitance matrix describing the electrostatic couplings in the entire device. The objective functions are defined as the maximal absolute error over actual device logic outputs relative to the ideal truth tables for the sum and the carry-out in base 3. The logic units are implemented on the same device: a single dual-gate quantum dot and a charge sensor. Their physical parameters are optimized to compute either the sum or the carry out outputs and are compatible with current experimental capabilities. The outputs are encoded in the value of the electric current passing through the charge sensor, while the logic inputs are supplied by the voltage levels on the two gate electrodes attached to the QD. The complex logic ternary operations are directly implemented on an extremely simple device, characterized by small sizes and low-energy consumption compared to devices based on switching single-electron transistors. The design methodology is general and provides a rational approach for realizing non-switching logic operations on QD devices.

  12. Synthesis and characterisation of a novel europium-based graphite intercalation compound

    International Nuclear Information System (INIS)

    In the lithium-europium-graphite system, a novel ternary compound was synthesised by direct immersion of a pyrolytic graphite platelet in a molten lithium-based alloy with a well chosen Li/Eu ratio at 400 deg. C. The ternary compound exhibits poly-layered intercalated sheets mainly constituted of two europium planes. Its chemical formula can be written LixEuC4, since the amount of lithium is still not determined. The 151Eu Moessbauer spectra clearly indicate a +II valence for europium. The magnetic susceptibility and the magnetisation versus temperature reveal a complex behaviour which is qualitatively described thanks to structural hypothesis and analogies with the magnetic properties of the binary EuC6 compound. A first ferromagnetic transition occurring at 225 K is attributed to interactions between both intercalated europium planes. The lower temperature susceptibility behaviour can be interpreted by antiferromagnetic interactions between in-plane neighbours and ferromagnetic interactions along the c-axis. - Graphical abstract: 1D electronic density profiles along the c-axis of LixEuC4

  13. Superconductivity, Magnetism, and Charge Density Wave Formation in Ternary Compounds with the SCANDIUM(5)COBALT(4)SILICON(10) - Structure.

    Science.gov (United States)

    Yang, Hung-Duen

    1987-05-01

    The variation of the superconducting transition temperature T(,c) with hydrostatic pressure up to 23.7 kbar is reported for eleven compounds with the Sc(,5)Co(,4)Si(,10) -type structure. Most of these compounds display a modest linear depression of T(,c) with pressure (dT(,c)/dp (TURN) 10('-5) K/bar), however, two materials, Lu(,5)Ir(,4)Si(,10) and Lu(,5)Rh(,4)Si(,10), undergo a discontinuous transformation above a critical pressure of about 20 kbar to a state with a significantly higher T(,c). The resistivity and magnetic susceptibility show an anomaly in Lu(,5)Ir(,4)Si(,10) and Lu(,5)Rh(,4)Si(,10) at T(,o) = 83 K and 155 K respectively. It is interpreted that this phase transformation may involve a charge density wave (CDW) formation that opens an energy gap over a portion of the Fermi surface. The P-T phase diagram for Lu(,5)Ir(,4)Si(,10), given to demonstrate the correlation between T(,o) and T(,c), provides the clear evidence that the pressure enhancement of T(,c) is due to a progressive removal of the charge density wave in the crystal. Combining the magnetic susceptibility and heat capacity data, we give a quantitative estimate of a 36% loss in the electronic density of states at the Fermi level due to this energy gap in Lu(,5)Ir(,4)Si(,10). The pseudoternary system (Lu(,1-x)Sc(,x))(,5)Ir(,4)Si(,10), 0 (LESSTHEQ) x (LESSTHEQ) 0.05, is used to study the doping (impurity) effect on the CDW and the competition between T(,o) and T(,c) in Lu(,5)Ir(,4)Si(,10). It is found that (dT(,o)/dx)(,x=0) = -18.5 K/at % and (dT(,c)/dx)(,x=0) = 0.5 K/at %, are comparable to another CDW system (Ta(,1 -x)Nb(,x))S(,3). The electrical and magnetic properties for R(,5)Ir(,4)Si(,10) (R = Dy-Yb) are also reported. All of these compounds exhibit an anomaly in resistivity, which is considered to be due to the formation of a CDW, similar to the one observed in Lu(,5)Ir(,4)Si(,10). Two distinct magnetic transitions with different features, seen in the ac magnetic susceptibility and heat

  14. A review on the synthesis, crystal growth, structure and physical properties of rare earth based quaternary intermetallic compounds

    Science.gov (United States)

    Mumbaraddi, Dundappa; Sarkar, Sumanta; Peter, Sebastian C.

    2016-04-01

    This review highlights the synthesis and crystal growth of quaternary intermetallic compounds based on rare earth metals. In the first part of this review, we highlight briefly about intermetallics and their versatile properties in comparison to the constituent elements. In the next part, we have discussed about various synthesis techniques with more focus on the metal flux technique towards the well shaped crystal growth of novel compounds. In the subsequent parts, several disordered quaternary compounds have been reviewed and then outlined most known ordered quaternary compounds with their complex structure. A special attention has been given to the ordered compounds with structural description and relation to the parent binary and ternary compounds. The importance of electronic and structural feature is highlighted as the key roles in designing these materials for emerging applications.

  15. Elastic and electronic properties of antiperovskite-type Pd- and Pt-based ternary carbides from first-principles calculations

    International Nuclear Information System (INIS)

    Highlights: • 23 Pd- and Pt-based antiperovskite-type ternary carbides are probed from first principles. • Structural, elastic, electronic properties and inter-atomic bonding are evaluated. • A rich variety of mechanical and electronic properties was predicted. -- Abstract: By means of first-principles calculations, the structural, elastic, and electronic properties of a broad series of proposed Pd- and Pt-based antiperovskite-type ternary carbides AC(Pd,Pt)3, where A are Zn, Ca, Al, Ga, In, Ge, Hg, Sn, Cd, Pb, Ag, Sc, Ti, Y, Nb, Mo, and Ta, have been studied, and their stability, elastic constants, bulk, shear, and Young’s moduli, compressibility, Pugh’s indicator, Poisson’s ratio, indexes of elastic anisotropy, as well as electronic properties have been evaluated. We found that these materials should demonstrate a rich variety of mechanical and electronic properties depending on the type of A sublattices, which can include (unlike the majority of known 3d-metal-based antiperovskites) both sp elements and d atoms. We believe that the presented results will be useful for future synthesis of these phases, as well as for expanding our knowledge of this interesting group of antiperovskite-type materials

  16. Production method of carbamazepine/saccharin cocrystal particles by using two solution mixing based on the ternary phase diagram

    Science.gov (United States)

    Kudo, Shoji; Takiyama, Hiroshi

    2014-04-01

    In the pharmaceutical field, improvement of drug solubility is required, and an interest in cocrystals is growing. Crystallization methods for industrial production of cocrystals have not been developed enough whereas many cocrystals have been prepared in order to find a new crystal form by screening in the laboratory. The objective of this study was the development of the crystallization method which is useful for the industrial production of cocrystal particles based on the phase diagram. A cocrystal of carbamazepine and saccharin was selected as a model substance. The ternary phase diagram of carbamazepine and saccharin in methanol at 303 K was measured. A cocrystallization method of mixing two kinds of different eutectic solutions was designed based on the ternary phase diagram. In order to adjust the cocrystallization conditions, the determination method of the driving force for cocrystal deposition such as supersaturation based on mass balance was proposed. The cocrystal particles were obtained under all the conditions of the five mixing ratios. From these experimental results, the relationship between the supersaturation and the induction time for nucleation was confirmed as well as conventional crystallization. In conclusion, the crystallization method for industrial production of cocrystal particles including the determination of the supersaturation was suggested.

  17. Magnetic structures of new uranium or rare earth based ternary stannides T2M2Sn (T = RE, U and M = Ni, Pd)

    International Nuclear Information System (INIS)

    Magnetic structures of new ternary stannides T2M2Sn (T = U, RE and M Ni, Pd) have been determined by powder neutron diffraction. A precise study of U2M2Sn (M = Ni, Pd) compounds showed several relations between structural and magnetic properties. The hybridization effects between 5f(U) and 3d(Ni) states is responsible for the weak magnetic moment observed on the uranium atoms in U2Ni2Sn, and explains why this stannide is close to a magnetic instability. In the system U2Pd2+xSn1-x, the reduction of the magnetic moment when the palladium composition increases shows the influence of 5f(U) - 4d(Pd) hybridization. In this solid solution, the evolution of the magnetic structure with the composition confirms an empirical law: the uranium magnetic moments are directed perpendicularly to the shortest U-U links. The extension of this study to the new Rare Earth based stannides RE2Pd2,04Sn0,96 (RE = Ce, Tb, Dy, Ho, Er) evidenced systematic correlations between complicated magnetic structures. All these compounds present two magnetic transitions, characterized first by a sine-wave modulation, then at lower temperatures by a commensurate magnetic structure. (author)

  18. Binary and ternary niobium-base superconductors by the infiltration process

    International Nuclear Information System (INIS)

    This report summarizes the work on high field superconducting materials and processes performed at the Materials and Molecular Research Division of the Lawrence Berkeley Laboratory. Two major interrelated focal points characterize this research. One was the decision to restrict the effort to A-15 compounds because of their superior critical temperatures and critical fields. The inherent brittleness of these compounds along with the requirement for a filamentary morphology led to the second focal point: a heavy reliance on a powder approach for the fabrication of superconducting tapes and wires. There have been exceptions to the use of powder techniques where special circumstances such as the nature of a particular alloy system suggested on alternative approach. The quench-age technique described herein is an example of a non-powder approach. Here the niobium-aluminum system is involved and the methodology is based on the fact that in a certain composition range a solid solution of aluminum in niobium is the stable phase at elevated temperatures (19500C), whereas at lower temperatures (0C) the stable phase is the desired A-15 compound. Additionally, niobium forms deformation twins which were found to be effective sites for the nucleation of the A-15 phase

  19. Neutronics Evaluation of Lithium-Based Ternary Alloys in IFE Blankets

    Energy Technology Data Exchange (ETDEWEB)

    Jolodosky, A. [Univ. of California, Berkeley, CA (United States); Fratoni, M. [Univ. of California, Berkeley, CA (United States)

    2015-09-22

    , low electrical conductivity and therefore low MHD pressure drop, low chemical reactivity, and extremely low tritium inventory; the addition of sodium (FLiNaBe) has been considered because it retains the properties of FliBe but also lowers the melting point. Although many of these blanket concepts are promising, challenges still remain. The limited amount of beryllium available poses a problem for ceramic breeders such as the HCPB. FLiBe and FLiNaBe are highly viscous and have a low thermal conductivity. Lithium lead possesses a poor thermal conductivity which can cause problems in both DCLL and LiPb blankets. Additionally, the tritium permeation from these two blankets into plant components can be a problem and must be reduced. Consequently, Lawrence Livermore National Laboratory (LLNL) is attempting to develop a lithium-based alloy—most likely a ternary alloy—which maintains the beneficial properties of lithium (e.g. high tritium breeding and solubility) while reducing overall flammability concerns for use in the blanket of an inertial fusion energy (IFE) power plant. The LLNL concept employs inertial confinement fusion (ICF) through the use of lasers aimed at an indirect-driven target composed of deuterium-tritium fuel. The fusion driver/target design implements the same physics currently experimented at the National Ignition Facility (NIF). The plant uses lithium in both the primary coolant and blanket; therefore, lithium-related hazards are of primary concern. Although reducing chemical reactivity is the primary motivation for the development of new lithium alloys, the successful candidates will have to guarantee acceptable performance in all their functions. The scope of this study is to evaluate the neutronics performance of a large number of lithium-based alloys in the blanket of the IFE engine and assess their properties upon activation. This manuscript is organized as follows: Section 12 presents the models and methodologies used for the analysis; Section

  20. Ternary (liquid + liquid) equilibria of {trifluorotris(perfluoroethyl)phosphate based ionic liquids + thiophene + heptane}: Part 2

    International Nuclear Information System (INIS)

    Highlights: • Ternary (liquid + liquid) equilibria for 3 ionic liquid + thiophene + heptane systems. • The influence of ionic liquid structure on phase diagrams is discussed. • Influence of IL structure on S and β for heptane/thiophene separation is discussed. - Abstract: Ternary (liquid + liquid) equilibria for 3 systems containing ionic liquids {(1-ethyl-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate, 1-(2-hydroxyethyl)-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate, ethyl-dimethyl-(2-methoxyethyl)ammonium trifluorotris(perfluoroethyl)phosphate) + thiophene + heptane} have been determined at T = 298.15 K. The selectivity and solute distribution ratio were calculated for investigated systems and compared with literature values obtained for other systems containing ionic liquids with [FAP]− anions and [emim]+ cations. In each system, high solubility of thiophene and low solubility of heptane in the ionic liquid are observed. The experimental results have been correlated using NRTL model. The influence of the structure of ionic liquid on phase equilibria, selectivity and solute distribution ratio is discussed

  1. Study on La–Mg based ternary system for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Capurso, Giovanni, E-mail: giovanni.capurso@gmail.com [Dipartimento di Ingegneria Industriale, Università di Padova, via Marzolo 9, 35131 Padova (Italy); Naik, Mehraj-ud-din; Lo Russo, Sergio [Dipartimento di Fisica e Astronomia “Galileo Galilei”, Università di Padova, via Marzolo 8, 35131 Padova (Italy); Maddalena, Amedeo [Dipartimento di Ingegneria Industriale, Università di Padova, via Marzolo 9, 35131 Padova (Italy); Saccone, Adriana; Gastaldo, Federica; De Negri, Serena [Dipartimento di Chimica e Chimica Industriale, Università di Genova, via Dodecaneso 31, 16146 Genova (Italy)

    2013-12-15

    Highlights: ► Explorative study in the Mg-rich corner of the La–Pd–Mg ternary system. ► The studied alloys lay on the La{sub 2}(Mg{sub 1−x}Pd{sub x}){sub 17} compositional line. ► Higher Pd content results in lower H{sub 2} capacity, but higher equilibrium pressures. ► The highest absorbed hydrogen quantity is 4.8 wt% at 2 MPa and 310 °C. -- Abstract: An explorative study on the hydriding/dehydriding characteristics of the La{sub 2}(Mg,Pd){sub 17} ternary alloy, with different Pd content, is presented. All the samples were prepared by induction melting of the selected elements, characterized with scanning electron microscopy and X-ray powder diffraction, to detect present phases, and subsequently milled with a high-energy shaker apparatus. The hydrogen reaction kinetics and thermodynamics properties have been investigated by means of a volumetric Sievert’s apparatus. The measured H{sub 2} gravimetric capacity of the alloy varied with the Pd content, being the highest for the sample without Pd (>4.5 wt%). A possible correlation between the constituent phases individuated with microanalysis and the variation in the hydrogenation behaviour is proposed.

  2. Microstructures in a ternary eutectic alloy: devising metrics based on neighbourhood relationships

    Science.gov (United States)

    Dennstedt, A.; Choudhury, A.; Ratke, L.; Nestler, B.

    2016-03-01

    Ternary eutectics, where three phases form simultaneously from the melt, present an opportunity to study the fundamental science of microstructural pattern formation during the process of solidification. In this paper we investigate these phenomena, both experimentally and by phase-field simulations. The aim is to develop necessary characterisation tools which can be applied to both experimentally determined and simulated microstructures for a quantitative comparison between simulations and experiments. In SEM images of experimental cross sections of directionally solidified Ag-Al-Cu ternary eutectic alloy at least six different types of microstructures are observed. Corresponding 3D phase-field simulations for different solidification conditions and compositions allow us to span and isolate the material parameters which influence the formation of three-phase patterns. Both experimental and simulated microstructures were analysed regarding interface lengths, triple points and number of neighbours. As a result of this integrated experimental and computational effort we conclude that neighbourhood relationships as described herein, turn out to be an appropriate basis to characterise order in patterns.

  3. Predicting magnetostructural trends in equiatomic FeRh-based ternary systems

    Science.gov (United States)

    Barua, Radhika; Jimenez-Villacorta, Felix; Lewis, Laura; Nanomagnetism Group Team

    2013-03-01

    A phenomenological model is proposed to predict the influence of elemental substitution on the magnetostructural transition temperatures and Curie temperatures of nominally-equiatomic FeRh-based compounds with the B2 (CsCl)-type crystal structure. Clear trends in the characteristic magnetic transition temperatures, as reported in the literature, are found as a function of the averaged weighted valence band electrons ((s + d) electrons/atom) in compounds of composition Fe(Rh1-xMx) or (Fe1-xMx) Rh (M = 3 d, 4 d or 5 d transition metals). Substitution of 3 d or 4 d elements (FeRh causes the magnetostructural transition temperature Tt to increase to a maximum around a critical valence band electron concentration of 8.5 electrons/atom and then decrease. Substitution of 5 d transition metal atoms echoes this trend but shifts it to higher transition temperatures. These data and associated trends allow deductions that the stability of the ground state antiferromagnetic phase of the FeRh-based system depends both on the size of the constituent atoms as well as the character of the valence electrons. Research was performed under the auspices of the U.S. Dept. of Energy, Division of Materials Science, Office of Basic Energy Sciences (Contract No. DE-SC0005250).

  4. Ternary Mn3NMn1-x Ag x compound films of nearly constant electrical resistivity and their magnetic transport behaviour

    Science.gov (United States)

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

    2016-02-01

    Antiperovskite \\text{M}{{\\text{n}}3}\\text{NM}{{\\text{n}}1-x}\\text{A}{{\\text{g}}x} thin films were successfully prepared by reactive magnetron sputtering. The increasing substitution of Ag atoms at the MnA-sites of cubic Mn3NMn lattice leads to the metal-to-semiconductor transition, through which a vanishingly small temperature coefficient of resistivity down to 20 ppm K-1 over a temperature range of 50 to 200 K was achieved. Meanwhile, with increasing content of Ag atoms the magnetic behaviour of the deposits also changes that the ferromagnetism gradually diminishes and the freezing temperature steadily downshifts. The simultaneously tunable magnetic property and the nature of electric conductivity may inspire some innovative applications of the manganese nitride-based antiperovskite thin films.

  5. Effects of atomic ordering on the elastic properties of TiN- and VN-based ternary alloys

    International Nuclear Information System (INIS)

    Improved toughness is one of the central goals in the development of wear-resistant coatings. Previous studies of toughness in transition metal nitride alloys have addressed the effects of chemical composition in these compounds. Herein, we use density functional theory to study the effects of various metal sublattice configurations, ranging from fully ordered to fully disordered, on the mechanical properties of VM2N and TiM2N (M2 = W, Mo) ternary alloys. Results show that all alloys display high incompressibility, indicating strong Me–N bonds. Disordered atomic arrangements yield lower values of bulk moduli and C11 elastic constants, as well as higher values of C44 elastic constants, compared to ordered structures. We attribute the low C44 values of ordered structures to the formation of fully-bonding states perpendicular to the applied stress. We find that the ductility of these compounds is primarily an effect of the increased valence electron concentration induced upon alloying. - Highlights: • Density functional theory is used to probe the effects of order on toughness. • Systems studied: TiMoN, TiWN, VMoN and VWN. • The degree of order induces substantial variations in elastic properties. • Ductility is primarily determined by the valence electron concentration

  6. Effects of atomic ordering on the elastic properties of TiN- and VN-based ternary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Edström, D., E-mail: daned@ifm.liu.se; Sangiovanni, D.G.; Hultman, L.; Chirita, V.

    2014-11-28

    Improved toughness is one of the central goals in the development of wear-resistant coatings. Previous studies of toughness in transition metal nitride alloys have addressed the effects of chemical composition in these compounds. Herein, we use density functional theory to study the effects of various metal sublattice configurations, ranging from fully ordered to fully disordered, on the mechanical properties of VM2N and TiM2N (M2 = W, Mo) ternary alloys. Results show that all alloys display high incompressibility, indicating strong Me–N bonds. Disordered atomic arrangements yield lower values of bulk moduli and C{sub 11} elastic constants, as well as higher values of C{sub 44} elastic constants, compared to ordered structures. We attribute the low C{sub 44} values of ordered structures to the formation of fully-bonding states perpendicular to the applied stress. We find that the ductility of these compounds is primarily an effect of the increased valence electron concentration induced upon alloying. - Highlights: • Density functional theory is used to probe the effects of order on toughness. • Systems studied: TiMoN, TiWN, VMoN and VWN. • The degree of order induces substantial variations in elastic properties. • Ductility is primarily determined by the valence electron concentration.

  7. Carbonation on ternary cement systems

    OpenAIRE

    Martínez Ramírez, Sagrario; Fernández Carrasco, Lucía

    2012-01-01

    The main hydration reaction product in the ternary system fly ash, calcium sulphate and calcium aluminate cement (40/20/40) at 20°C is a hydrated calcium sulfoaluminate compound, an AFt phase slightly different from “traditional ettringite”. The carbonation of ettringite develops gypsum but in this case rapidcreekite is formed. For the first time it has been observed that carbonation of the mentioned calcium sulfoaluminate compound (AFt), an hydrated calcium sulphate carbonated phase (Ca2(SO4...

  8. Structural stability of ternary C22–Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and C22–Zr6Sn2T′ (T′=Fe, Co, Ni, Cu) compounds

    International Nuclear Information System (INIS)

    The crystal and electronic structures, and the thermodynamic properties of Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr6Sn2T′ (T′=Fe, Co, Ni, Cu) ternary compounds in the Fe2P-type structure have been investigated by means of first principle calculations. The calculated structural parameters are in good agreement with the experimental data. The total electronic densities of states as well as the Bader charges of the atoms have been computed. Both electronic and size effects allow to explain the stability of the ternary Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr6Sn2T′ (T′=Fe, Co, Ni, Cu) compounds. - Graphical abstract: Valence charge electronic localization function (ELF) calculated for Zr6Sb2Co compound. Display Omitted - Highlights: • Structural stability of Zr6X2T′ compounds (X: p element, T′: late transition metal) in the Fe2P-type structure. • First principles calculation of lattice parameters and enthalpies of formation. • Electronic densities of state in the series Zr6Sn2T′ (T′=Fe, Co, Ni, Cu). • Electronic densities of state in the series Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te)

  9. Biodegradable polymer based ternary blends for removal of trace metals from simulated industrial wastewater.

    Science.gov (United States)

    Prakash, N; Arungalai Vendan, S

    2016-02-01

    The ternary blends consisting of Chitosan (CS), Nylon 6 (Ny 6) and Montmorillonite clay (MM clay) were prepared by the solution blending method with glutaraldehyde. The prepared ternary blends were characterization by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Thermo gravimetric analysis (TGA), Differential scanning calorimetry (DSC) and Scanning electron microscope (SEM). The FTIR results showed that the strong intermolecular hydrogen bondings were established between chitosan, nylon 6 and montmorillonite clay. TGA showed the thermal stability of the blend is enhanced by glutaraldehyde as Crosslink agent. Results of XRD indicated that the relative crystalline of the pure chitosan film was reduced when the polymeric network was reticulated by glutaraldehyde. Finally, the results of scanning electron microscopy (SEM) indicated that the morphology of the blend was rough and heterogenous. Further, it confirms the interaction between the functional groups of the blend components. The extent of removal of the trace metals was found to be almost the same. The removal of these metals at different pH was also done and the maximum removal of the metals was observed at pH 4.5 for both trace metals. Adsorption studies and kinetic analysis have also been made. Moreover, the protonation of amine groups is induced an electrostatic repulsion of cations. When the pH of the solution was more than 5.5, the sorption rate began to decrease. Besides, the quantity of adsorbate on absorbent was fitted as a function in Langmuir and Freundlich isotherm. The sorption kinetics was tested for pseudo first order and pseudo second order reaction. The kinetic experimental data correlated with the second order kinetic model and rate constants of sorption for kinetic models were calculated and accordingly, the correlation coefficients were obtained. PMID:26432371

  10. Crystal structure and physical properties of new ternary rare earth borides

    International Nuclear Information System (INIS)

    Two ternary boride systems with a new type of structure are reported for MRh3B2 (M equivalent to Tb, Dy, Ho, Er, Tm, Yb, Lu, Y) and MIr3B2 (M equivalent to Ce, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Sc, Y). These materials were found to crystallize in a base-centered monoclinic structure with space group C2/m and two formula units per unit cell. The proposed atomic positions were determined by a structural study of the ErIr3B2 compound. The magnetic and superconducting properties are discussed by comparisons with those of other related binary and ternary compounds. (Auth.)

  11. Ternary systems based on PVDF, BaTiO{sub 3} and MWCNTs: Fabrication, characterization, electromagnetic simulation

    Energy Technology Data Exchange (ETDEWEB)

    Cacciotti, Ilaria [University of Rome “Niccolò Cusano”, RU INSTM, Via Don Carlo Gnocchi 3, 00166-Rome (Italy); Valentini, Manlio; Nanni, Francesca [University of Rome “Tor Vergata”, Enterprise Engineering Department, RU INSTM-Roma “Tor Vergata”, Via del Politecnico 1, 00133-Rome (Italy)

    2015-03-10

    In this work, ternary bulk systems based on polyvinylidene fluoride (PVDF), synthesised barium titanate (BaTiO{sub 3}, BT) nanopowder and multi walled carbon nanotubes (MWCNTs) were fabricated by film stacking technique, starting from solvent cast films. The main purpose was to investigate the influence of BT and MWCNTs addition to the polymeric matrix on its microstructural and dielectrical properties. In order to achieve it, different BT concentrations, ranging between the 60 and 75 %wt, were tested, whereas a MWCNTs content of 2 %wt was maintained constant. The morphology was studied by observation at scanning electron microscopy (SEM), the microstructure and crystalline phases investigated by X-Ray diffraction (XRD) and Fourier transform infrared (FT-IR) spectroscopy, and the electromagnetic properties measured in the microwave region (8-12 GHz). The electromagnetic response of the investigated bulk systems was also simulated as function of the sample thickness.

  12. Charge-neutral disorder and polytypes in heterovalent wurtzite-based ternary semiconductors: The importance of the octet rule

    Science.gov (United States)

    Quayle, Paul C.; Blanton, Eric W.; Punya, Atchara; Junno, Grant T.; He, Keliang; Han, Lu; Zhao, Hongping; Shan, Jie; Lambrecht, Walter R. L.; Kash, Kathleen

    2015-05-01

    We investigate lattice ordering phenomena for the heterovalent ternaries that are based on the wurtzite lattice, under the constraint that the octet rule be preserved. We show that, with the single exception of a highly symmetric twinned structure, all allowed lattice orderings can be described by a pseudospin model corresponding to the two different stackings of A B A B rows of atoms in the basal plane that occur in the P n a 21 and P m c 21 crystal structures. First-principles calculations show that the difference in the energies of formation between these two structures is 13 ±3 meV/fu (formula unit) for ZnSnN2 and is an order of magnitude larger for ZnGeN2 and that for both materials the P m 31 structure, which contains only octet-rule-violating tetrahedra, has a significantly higher energy of formation and a signficantly lower band gap. We predict almost random stacking and wurtzitelike x-ray-diffraction spectra in the case of ZnSnN2, consistent with reported measurements. The octet-rule-preserving model of disorder proposed here predicts a band gap that for ZnSnN2 is relatively insensitive to ordering, in contrast to the prevailing model, which invokes the random placement of atoms on the cation sublattice. The violations of the octet rule in the latter model lead to significant narrowing of the band gap. The Raman and photoluminescence spectra of ZnSnN2 are interpreted in light of the ordering model developed here. The observation that ZnGeN2 orders in the P n a 21 structure under appropriate growth conditions is consistent with the larger difference in the energies of formation of the P n a 21 and P m c 21 structures for this material. The ordering model presented here has important implications for the optical, electronic, and lattice properties of all wurtzite-based heterovalent ternaries.

  13. Study of magnetism and superconductivity in ternary rare-earth-based compounds

    International Nuclear Information System (INIS)

    Most of the studies on coexistence of magnetism (in local moment systems) and superconductivity (SC) had been made either on REMo6S8 chalcogenides or on RERh4B4 borides. In these systems, the SC arises due to Mo clusters and Rh clusters, respectively, while magnetism is due to rare-earth atom. Recently, we have established the coexistence of antiferromagnetism (AFM) and SC in a crystal structure RE5T4X10 (RE=rare earth, Sc and Y, T=transition element Ir and Os, X=Ge and Si). In this work, we will describe our studies related to magnetism and SC in this structure. The important feature of this structure is that there are neither T-T contacts nor clusters of transition metal atoms. This is in contrast to that of Mo chalcogenides and Rh borides which have been well-studied. (orig.)

  14. The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO3 Fe3Al, Co3Al, and Ni3Al based intermetallic phases

    International Nuclear Information System (INIS)

    Recently, interest in alnico magnetic alloys has been rekindled due to their potential to substitute for rare-earth based permanent magnets provided modest improvements in their coercivity can be achieved without loss of saturation magnetization. Recent experimental studies have indicated that atomic and magnetic structure of the two phases (one AlNi-based, the other FeCo-based) that comprise these spinodally decomposed alloy is not as simple as previously thought. A key issue that arises is the distribution of Fe, Co, and Ti within the AlNi-based matrix phase. In this paper, we report the results of first-principles calculations of the site preference of ternary alloying additions in DO3 Fe3Al, Co3Al, and Ni3Al alloys, as models for the aluminide phase. For compound compositions that are Al rich, which correspond to experimental situation, Ti and Fe are found to occupy the α sites, while Co and Ni prefer the γ sites of the DO3 lattice. An important finding is that the magnetic moments of transition metals in Fe3Al and Co3Al are ordered ferromagnetically, whereas the Ni3Al were found to be nonmagnetic unless the Fe or Co is added as a ternary element

  15. Determination of thermodynamic properties of aluminum based binary and ternary alloys

    International Nuclear Information System (INIS)

    In the present work, the Gibbs–Thomson coefficient, solid–liquid and solid–solid interfacial energies and grain boundary energy of a solid Al solution in the Al–Cu–Si eutectic system were determined from the observed grain boundary groove shapes by measuring the thermal conductivity of the solid and liquid phases and temperature gradient. Some thermodynamic properties such as the enthalpy of fusion, entropy of fusion, the change of specific heat from liquid to solid and the electrical conductivity of solid phases at their melting temperature were also evaluated by using the measured values of relevant data for Al–Cu, Al–Si, Al–Mg, Al–Ni, Al–Ti, Al–Cu–Ag, Al–Cu–Si binary and ternary alloys. - Highlights: • The microstructure of the Al–Cu–Si eutectic alloy was observed through SEM. • The three eutectic phases (α-Al, Si, CuAl2) have been determined by EDX analysis. • Solid–liquid and solid–solid interfacial energies of α-Al solution were determined. • ΔSf,ΔHM, ΔCP, electrical conductivity of solid phases for solid Al solutions were determined. • G–T coefficient and grain boundary energy of solid Al solution were determined

  16. Determination of thermodynamic properties of aluminum based binary and ternary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Altıntas, Yemliha [Abdullah Gül University, Faculty of Engineering, Department of Materials Science and Nanotechnology, 38039, Kayseri (Turkey); Aksöz, Sezen [Nevşehir Hacı Bektaş Veli University, Faculty of Arts and Science, Department of Physics, 50300, Nevşehir (Turkey); Keşlioğlu, Kâzım, E-mail: kesli@erciyes.edu.tr [Erciyes University, Faculty of Science, Department of Physics, 38039, Kayseri (Turkey); Maraşlı, Necmettin [Yıldız Technical University, Faculty of Chemical and Metallurgical Engineering, Department of Metallurgical and Materials Engineering, 34210, Davutpaşa, İstanbul (Turkey)

    2015-11-15

    In the present work, the Gibbs–Thomson coefficient, solid–liquid and solid–solid interfacial energies and grain boundary energy of a solid Al solution in the Al–Cu–Si eutectic system were determined from the observed grain boundary groove shapes by measuring the thermal conductivity of the solid and liquid phases and temperature gradient. Some thermodynamic properties such as the enthalpy of fusion, entropy of fusion, the change of specific heat from liquid to solid and the electrical conductivity of solid phases at their melting temperature were also evaluated by using the measured values of relevant data for Al–Cu, Al–Si, Al–Mg, Al–Ni, Al–Ti, Al–Cu–Ag, Al–Cu–Si binary and ternary alloys. - Highlights: • The microstructure of the Al–Cu–Si eutectic alloy was observed through SEM. • The three eutectic phases (α-Al, Si, CuAl{sub 2}) have been determined by EDX analysis. • Solid–liquid and solid–solid interfacial energies of α-Al solution were determined. • ΔS{sub f},ΔH{sub M}, ΔC{sub P}, electrical conductivity of solid phases for solid Al solutions were determined. • G–T coefficient and grain boundary energy of solid Al solution were determined.

  17. The Influence of Sn Additions on the Thermoelectric and Transport Properties of FeSb2Te-based Ternary Skutterudites

    Science.gov (United States)

    Navrátil, J.; Plecháček, T.; Drašar, Č.; Kucek, V.; Laufek, F.; Černošková, E.; Beneš, L.; Vlček, M.

    2016-06-01

    The influence of Sn additions was studied in a series of samples of a nominal composition FeSb2Te1- x Sn x ( x = 0, 0.05, 0.1, 0.15, 0.2). SnTe compound was primarily identified in the matrix compound of the ternary skutterudite structure in the multiphase composite samples. It was determined that Sn atoms preferentially react with Te atoms which are present in order to form SnTe compound instead of entering the skutterudite structure. A detailed analysis of the composition of the ternary skutterudite matrix compound evoked by the striking similarities of the observed changes between the samples and another two published systems (FeSb2Te1- x Ge x and FeSb2+ x Te1- x ) revealed the crucial role of the Sb/Te ratio as the dominant factor driving the observed changes of the measured properties. The anomalous changes of the measured transport properties values were explained in terms of an effective medium theory for two-phase FeSb2Te-SnTe composites. A maximum value of thermoelectric figure-of-merit, ZT = 0.47 at 673 K, was attained for the sample of a nominal composition FeSb2Te0.85Sn0.15.

  18. Omnidirectional photonic band gap enlarged by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure

    International Nuclear Information System (INIS)

    In this paper, an omnidirectional photonic band gap realized by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure, which is composed of homogeneous unmagnetized plasma and two kinds of isotropic dielectric, is theoretically studied by the transfer matrix method. It has been shown that such an omnidirectional photonic band gap originates from Bragg gap in contrast to zero-n gap or single negative (negative permittivity or negative permeability) gap, and it is insensitive to the incidence angle and the polarization of electromagnetic wave. From the numerical results, the frequency range and central frequency of omnidirectional photonic band gap can be tuned by the thickness and density of the plasma but cease to change with increasing Fibonacci order. The bandwidth of omnidirectional photonic band gap can be notably enlarged. Moreover, the plasma collision frequency has no effect on the bandwidth of omnidirectional photonic band gap. It is shown that such new structure Fibonacci quasiperiodic one-dimensional ternary plasma photonic crystals have a superior feature in the enhancement of frequency range of omnidirectional photonic band gap compared with the conventional ternary and conventional Fibonacci quasiperiodic ternary plasma photonic crystals.

  19. Omnidirectional photonic band gap enlarged by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Haifeng [College of Electronic and Information Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Nanjing Artillery Academy, Nanjing 211132 (China); Liu Shaobin [College of Electronic and Information Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); State Key Laboratory of Millimeter Waves of Southeast University, Nanjing Jiangsu 210096 (China); Kong Xiangkun; Bian Borui; Dai Yi [College of Electronic and Information Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2012-11-15

    In this paper, an omnidirectional photonic band gap realized by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure, which is composed of homogeneous unmagnetized plasma and two kinds of isotropic dielectric, is theoretically studied by the transfer matrix method. It has been shown that such an omnidirectional photonic band gap originates from Bragg gap in contrast to zero-n gap or single negative (negative permittivity or negative permeability) gap, and it is insensitive to the incidence angle and the polarization of electromagnetic wave. From the numerical results, the frequency range and central frequency of omnidirectional photonic band gap can be tuned by the thickness and density of the plasma but cease to change with increasing Fibonacci order. The bandwidth of omnidirectional photonic band gap can be notably enlarged. Moreover, the plasma collision frequency has no effect on the bandwidth of omnidirectional photonic band gap. It is shown that such new structure Fibonacci quasiperiodic one-dimensional ternary plasma photonic crystals have a superior feature in the enhancement of frequency range of omnidirectional photonic band gap compared with the conventional ternary and conventional Fibonacci quasiperiodic ternary plasma photonic crystals.

  20. Parametric study of ternary ettringite-based systems for radwaste solidification and stabilization

    International Nuclear Information System (INIS)

    Currently, there is a demand in furthering technological solutions to embed radioactive waste. A kind of this waste produced during the reprocessing of nuclear fuel is characterized by high pH sensitivity. Some organic matrixes (e.g. bitumen) developed to condition this waste are currently reconsidered by nuclear safety regulators. Therefore the cementation in ettringite systems might be a promising solution to solidify and stabilize this radioactive waste. Calcium Aluminate Cement (CAC) are planned to be used, instead of Ordinary Portland Cement (OPC), to form a significant amount of ettringite able to catch water molecules when forming. Moreover, due to the low pH of CAC-based matrixes, the latter have a good compatibility with the compounds used to stabilize active elements. However, the heat generated by hydration and the chemistry of waste require additional components. This paper details the investigations carried out on the CAC systems combined with Supplementary Cementing Materials. First theoretical studies show the main characteristics of reaction for the blends - especially: kinetics and type of hydrates formed, pH and chemistry of pore solution. Formulations are optimized to be in accordance with the stability of high pH sensitivity radioactive waste. Thereafter, parametric experiments including simulated waste are realized to study the rheological and the heat properties of the mixes. It appears that an increase in sulfate content ensures the formation and stability of ettringite and can greatly decrease the pH of pore solutions due to the formation of ettringite/AH3 in a larger extent. Results show that increasing slag content in the CAC system reduces the heat generated during hydration and that the addition of quartz filler in simulated wastes has increased the nucleation surface

  1. Soft Ternary Semirings

    Directory of Open Access Journals (Sweden)

    S. Kar

    2016-03-01

    Full Text Available In this paper, we introduce the notion of soft ternary semiring by using the concept of soft set theory. Besides, we characterize the notions of regularity and intra-regularity in soft ternary semiring by using different soft (left, lateral, right, quasi, bi ideals of soft ternary semirings.

  2. Quaternion Orders and Ternary Quadratic Forms

    OpenAIRE

    Lemurell, Stefan

    2011-01-01

    We give details of a formerly known relation between ternary quadratic forms and quaternion orders through the even Clifford algebra. Based on this and classifications of ternary quadratic forms we give a completely explicit classification of quaternion orders in the padic case.

  3. Synthesis and characterization of binary and ternary complexes of Co(II), Ni(II), Cu(II) and Zn(II) ions based on 4-aminotoluene-3-sulfonic acid

    Science.gov (United States)

    Faheim, Abeer A.; Abdou, Safaa N.; Abd El-Wahab, Zeinab H.

    2013-03-01

    Salicylidene (4-aminotoluene-3-sulfonic acid) Schiff base ligand H2L, and its binary and ternary Co(II), Ni(II), Cu(II) and Zn(II) complexes using 8-hydroxyquinoline (8-HOqu) and 2-aminopyridine (2-Ampy) as secondary ligands have been synthesised and characterized via elemental analysis, spectral data (IR, 1H NMR, mass and solid reflectance), molar conductance, magnetic moment, TG-DSC measurements and XRPD analysis. Correlation of all spectroscopic data suggest that H2L ligand acts as monoanionic terdentate ligand with ONO sites coordinating to the metal ions via deprotonated phenolic-O, azomethine-N and sulfonate-O while 2-Ampy behaves as a neutral monodentate ligand via amino group-N and 8-HOqu behaves as a monoanionic bidentate ligand through the ring-N and deprotonated phenolic-O. The thermal behavior of these complexes shows that the coordinated water molecules were eliminated from the complexes at relatively higher temperatures than the hydrated water and there are two routes in removal of coordinated water molecules. All complexes have mononuclear structure and the tetrahedral, square planar or an octahedral geometry have been proposed. The ligand and its complexes have been screened for their antimicrobial activity against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Salmonella typhimurium, Candida albicans and Aspergillus fumigatus. Among the synthesised compounds, the binary and ternary Ni(II) complexes, (2, 8 and 10) and ternary Zn(II) complex, (12) were found to be very effective against Candida albicans and Bacillus subtilis than all other complexes with MICs of 2 and 8 μg/mL, respectively.

  4. Uniform deposition of ternary chalcogenide nanoparticles onto mesoporous TiO2 film using liquid carbon dioxide-based coating

    International Nuclear Information System (INIS)

    We report the simultaneous deposition of two different metal precursors dissolved in liquid carbon dioxide (l-CO2), aiming to the synthesis of ternary chalcopyrite (e.g. CuInS2) nanoparticles on a mesoporous TiO2 film. The l-CO2-based deposition of Cu and In precursors and subsequent reaction with a dilute H2S gas resulted in CuxInySz nanoparticles uniformly deposited across the entire thickness of a mesoporous TiO2 film. Further heat treatment (air annealing and sulfurization) led to the formation of more stoichiometric CuInS2 nanoparticles. The formation of CuInS2 on TiO2 was confirmed by scanning electron microscopy, high resolution transmission electron microscopy, X-ray diffraction, and Raman spectroscopy. The crystal growth of CuInS2 was also found to be controllable by adjusting the number of coating cycles of the l-CO2-based deposition. - Highlights: • Simultaneous deposition of two different metal precursors dissolved in l-CO2. • Uniform deposition of CuInS2 nanoparticles across mesoporous TiO2 film. • Highly crystalline CuInS2 formed on mesoporous TiO2 film. • Nearly stoichiometric ratio of Cu:In:S was obtained

  5. Magnetic and transport properties of RNiSb compounds (R = Gd, Tb, Dy, Yb, Lu)

    International Nuclear Information System (INIS)

    The structural, magnetic, electrical and thermodynamic properties of heavy rare-earths ternary compounds RNiSb were investigated. Except Yb-based compound (and nonmagnetic Lu), all compounds are low temperature antiferromagnets. YbNi0.9Sb reflects some mixed valence behaviour. Magnitude of the resistivity indicates that investigated compounds are semimetals or high doped semiconductors. (author)

  6. Solvent effect on H-bond cooperativity factors in ternary complexes of methanol, octan-1-ol, 2,2,2-trifluoroethanol with some bases

    Science.gov (United States)

    Solomonov, Boris N.; Varfolomeev, Mikhail A.; Abaidullina, Dilyara I.

    2008-03-01

    Cooperative hydrogen bonds in ternary complexes (ROH) 2⋯B (ROH—alcohols; B—bases) formed in pure bases (B) and solutions in n-hexane, carbon tetrachloride, benzene and 1,2-dichloroethane were studied by FTIR spectroscopy. Based on the observations, the authors were able to propose an original method of evaluating solvent effects on cooperativity factors in the complexes. Frequencies of cooperative hydrogen bonds OH⋯B ( νb) were determined for ternary complexes of pyridine with aliphatic alcohols (methanol, octan-1-ol) and for 2,2,2-trifluoroethanol with three different bases (acetonitrile, diethyl ether, tetrahydrofuran). The solvent shifts of νb were found to correlate with an empirical thermochemical parameter of the solvent, SVW. The cooperativity factors were determined for the complexes (ROH) 2⋯B in all studied media. It has been found that the cooperativity factors are almost independent of the solvent. In addition, a method was proposed of estimating the frequencies and cooperativity factors for ternary complexes (ROH) 2⋯B in the gas phase. It has been found that in gas phase the cooperativity factors are practically the same as in condensed media.

  7. Memory type switching behavior of ternary Ge20Te80‑x Sn x (0  ⩽  x  ⩽  4) chalcogenide compounds

    Science.gov (United States)

    Jeevan Fernandes, Brian; Sridharan, Kishore; Munga, Pumlian; Ramesh, K.; Udayashankar, N. K.

    2016-07-01

    Chalcogenide compounds have gained huge research interest recently owing to their capability to transform from an amorphous to a crystalline phase with varying electrical properties. Such materials can be applied in building a new class of memories, such as phase-change memory and programmable metallization cells. Here we report the memory type electrical switching behavior of a ternary chalcogenide compound synthesized by doping Tin (Sn) in a germanium–telluride (Ge20Te80) host matrix, which yielded a composition of Ge20Te80‑x Sn x (0  ⩽  x  ⩽  4). Results indicate a remarkable decrease in the threshold switching voltage (V T) from 140 to 61 V when the Sn concentration was increased stepwise, which is attributed to the domination of the metallicity factor leading to reduced amorphous network connectivity and rigidity. Variation in the threshold switching voltage (V T) was noticed even when the sample thickness and temperature were altered, confirming that the memory switching process is of thermal origin. Investigations using x-ray diffraction (XRD) and scanning electron microscopy (SEM) revealed the formation of a crystalline channel that acts as the conduction path between the two electrodes in the switched region. Structural and morphological studies indicated that Sn metal remained as a micro inclusion in the matrix and hardly contributed to the rigid amorphous network formation in Ge20Te80‑x Sn x . Memory type electrical switching observed in these ternary chalcogenide compounds synthesized herein can be explored further for the fabrication of phase-change memory devices.

  8. Spontaneous incorporation of gold in palladium-based ternary nanoparticles makes durable electrocatalysts for oxygen reduction reaction

    Science.gov (United States)

    Wang, Deli; Liu, Sufen; Wang, Jie; Lin, Ruoqian; Kawasaki, Masahiro; Rus, Eric; Silberstein, Katharine E.; Lowe, Michael A.; Lin, Feng; Nordlund, Dennis; Liu, Hongfang; Muller, David A.; Xin, Huolin L.; Abruña, Héctor D.

    2016-06-01

    Replacing platinum by a less precious metal such as palladium, is highly desirable for lowering the cost of fuel-cell electrocatalysts. However, the instability of palladium in the harsh environment of fuel-cell cathodes renders its commercial future bleak. Here we show that by incorporating trace amounts of gold in palladium-based ternary (Pd6CoCu) nanocatalysts, the durability of the catalysts improves markedly. Using aberration-corrected analytical transmission electron microscopy in conjunction with synchrotron X-ray absorption spectroscopy, we show that gold not only galvanically replaces cobalt and copper on the surface, but also penetrates through the Pd-Co-Cu lattice and distributes uniformly within the particles. The uniform incorporation of Au provides a stability boost to the entire host particle, from the surface to the interior. The spontaneous replacement method we have developed is scalable and commercially viable. This work may provide new insight for the large-scale production of non-platinum electrocatalysts for fuel-cell applications.

  9. Complex magnetism of Mn-based Pnma ternary alloys: Three exchange interactions induced by the position of Mn atoms

    International Nuclear Information System (INIS)

    Density functional theory was used to study the relationship between magnetism and structure of Mn-based Pnma ternary alloys (MMnX). The magnetic states in these alloys largely rely on the value of Mn–Mn–Mn bond angle. There were two apparent critical bond angles being formed among ferromagnetic double exchange, anti-ferromagnetic super-exchange, and ferromagnetic super-exchange. Results indicated that the magnetic exchange interaction showed continuous transition in MMnX. The magnetism of MMnX was found to function on the basis of the relationship between bond angle and magnetic exchange interaction. This work provides a novel way of designing multi-functional materials made of MMnX with pointed magnetic exchange interaction. - Highlights: • A link between the magnetism and Mn–Mn–Mn bond angle was built in MMnX alloys. • It is found that the exchange interaction translates with the bond angle. • Providing a novel avenue of designing multi-functional MMnX materials

  10. Spontaneous incorporation of gold in palladium-based ternary nanoparticles makes durable electrocatalysts for oxygen reduction reaction

    Science.gov (United States)

    Wang, Deli; Liu, Sufen; Wang, Jie; Lin, Ruoqian; Kawasaki, Masahiro; Rus, Eric; Silberstein, Katharine E.; Lowe, Michael A.; Lin, Feng; Nordlund, Dennis; Liu, Hongfang; Muller, David A.; Xin, Huolin L.; Abruña, Héctor D.

    2016-01-01

    Replacing platinum by a less precious metal such as palladium, is highly desirable for lowering the cost of fuel-cell electrocatalysts. However, the instability of palladium in the harsh environment of fuel-cell cathodes renders its commercial future bleak. Here we show that by incorporating trace amounts of gold in palladium-based ternary (Pd6CoCu) nanocatalysts, the durability of the catalysts improves markedly. Using aberration-corrected analytical transmission electron microscopy in conjunction with synchrotron X-ray absorption spectroscopy, we show that gold not only galvanically replaces cobalt and copper on the surface, but also penetrates through the Pd–Co–Cu lattice and distributes uniformly within the particles. The uniform incorporation of Au provides a stability boost to the entire host particle, from the surface to the interior. The spontaneous replacement method we have developed is scalable and commercially viable. This work may provide new insight for the large-scale production of non-platinum electrocatalysts for fuel-cell applications. PMID:27336795

  11. Spontaneous incorporation of gold in palladium-based ternary nanoparticles makes durable electrocatalysts for oxygen reduction reaction.

    Science.gov (United States)

    Wang, Deli; Liu, Sufen; Wang, Jie; Lin, Ruoqian; Kawasaki, Masahiro; Rus, Eric; Silberstein, Katharine E; Lowe, Michael A; Lin, Feng; Nordlund, Dennis; Liu, Hongfang; Muller, David A; Xin, Huolin L; Abruña, Héctor D

    2016-01-01

    Replacing platinum by a less precious metal such as palladium, is highly desirable for lowering the cost of fuel-cell electrocatalysts. However, the instability of palladium in the harsh environment of fuel-cell cathodes renders its commercial future bleak. Here we show that by incorporating trace amounts of gold in palladium-based ternary (Pd6CoCu) nanocatalysts, the durability of the catalysts improves markedly. Using aberration-corrected analytical transmission electron microscopy in conjunction with synchrotron X-ray absorption spectroscopy, we show that gold not only galvanically replaces cobalt and copper on the surface, but also penetrates through the Pd-Co-Cu lattice and distributes uniformly within the particles. The uniform incorporation of Au provides a stability boost to the entire host particle, from the surface to the interior. The spontaneous replacement method we have developed is scalable and commercially viable. This work may provide new insight for the large-scale production of non-platinum electrocatalysts for fuel-cell applications. PMID:27336795

  12. Evolutionary multi-objective optimization based comparison of multi-column chromatographic separation processes for a ternary separation.

    Science.gov (United States)

    Heinonen, Jari; Kukkonen, Saku; Sainio, Tuomo

    2014-09-01

    Performance characteristics of two advanced multi-column chromatographic separation processes with discontinuous feed, Multi-Column Recycling Chromatogrphy (MCRC) and Japan Organo (JO), were investigated for a ternary separation using multi-objective optimization with an evolutionary algorithm. Conventional batch process was used as a reference. Fractionation of a concentrated acid hydrolysate of wood biomass into sulfuric acid, monosaccharide, and acetic acid fractions was used as a model system. Comparison of the separation processes was based on selected performance parameters in their optimized states. Flow rates and step durations were taken as decision variables whereas the column configuration and dimensions were fixed. The MCRC process was found to be considerably more efficient than the other processes with respect to eluent consumption. The batch process gave the highest productivity and the JO process the lowest. Both of the multi-column processes gave significantly higher monosaccharide yield than the batch process. When eluent consumption and monosaccharide yield are taken into account together with productivity, the MCRC process was found to be the most efficient in the studied case. PMID:25060000

  13. Co-based ternary nanocomposites: synthesis and their superior performances for hydrogenation of p-nitrophenol and adsorption for methyl blue

    International Nuclear Information System (INIS)

    A new kind of Co-based ternary nanocomposites has been obtained via one step without any additional surfactant at zero centigrade degree. Some experimental parameters play crucial roles in determining the morphologies and homogeneity of the final products, such as reaction temperature and the introduction of Na2S2O3·5H2O. The samples were characterized by XRD, SEM, TEM, UV–Vis, XPS, and BET. The result reveals that the as-prepared samples are Co1.29Ni1.71O4–Co3S4–Co3O4 Co-based ternary nanocomposites with an elliptic morphology composed of numerous fold-shaped superthin films (average thickness of ca. 2 nm). Interestingly, the obtained nanocomposites display superior performance for the hydrogenation of p-nitrophenol at room temperature in the presence of NaBH4. More importantly, the as-prepared nanocomposites show the huge adsorption capacity for methyl blue at room temperature, reaches 1100 mg g−1. Graphical Abstract: A kind of new-type Co-based ternary nanocomposites has been obtained via one step without surfactants at zero centigrade degree. The as-prepared nanocomposites display superior performance for the hydrogenation of p-nitrophenol in the presence of NaBH4 at room temperature

  14. Co-based ternary nanocomposites: synthesis and their superior performances for hydrogenation of p-nitrophenol and adsorption for methyl blue

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Fang-Yuan; Fan, Yan-Ling; Ni, Jing-Jing; Xu, Ting-Ting; Song, Ji-Ming, E-mail: songjm@ahu.edu.cn, E-mail: jiming@ahu.edu.cn [Anhui University, The Key Laboratory of Environment Friendly Polymer Materials of Anhui Province, School of Chemistry & Chemical Engineering (China)

    2016-01-15

    A new kind of Co-based ternary nanocomposites has been obtained via one step without any additional surfactant at zero centigrade degree. Some experimental parameters play crucial roles in determining the morphologies and homogeneity of the final products, such as reaction temperature and the introduction of Na{sub 2}S{sub 2}O{sub 3}·5H{sub 2}O. The samples were characterized by XRD, SEM, TEM, UV–Vis, XPS, and BET. The result reveals that the as-prepared samples are Co{sub 1.29}Ni{sub 1.71}O{sub 4}–Co{sub 3}S{sub 4}–Co{sub 3}O{sub 4} Co-based ternary nanocomposites with an elliptic morphology composed of numerous fold-shaped superthin films (average thickness of ca. 2 nm). Interestingly, the obtained nanocomposites display superior performance for the hydrogenation of p-nitrophenol at room temperature in the presence of NaBH{sub 4}. More importantly, the as-prepared nanocomposites show the huge adsorption capacity for methyl blue at room temperature, reaches 1100 mg g{sup −1}. Graphical Abstract: A kind of new-type Co-based ternary nanocomposites has been obtained via one step without surfactants at zero centigrade degree. The as-prepared nanocomposites display superior performance for the hydrogenation of p-nitrophenol in the presence of NaBH{sub 4} at room temperature.

  15. Efficient ternary organic photovoltaics incorporating a graphene-based porphyrin molecule as a universal electron cascade material

    Science.gov (United States)

    Stylianakis, M. M.; Konios, D.; Kakavelakis, G.; Charalambidis, G.; Stratakis, E.; Coutsolelos, A. G.; Kymakis, E.; Anastasiadis, S. H.

    2015-10-01

    A graphene-based porphyrin molecule (GO-TPP) was synthesized by covalent linkage of graphene oxide (GO) with 5-(4-aminophenyl)-10,15,20-triphenyl porphyrin (TPP-NH2). The yielded graphene-based material is a donor-acceptor (D-A) molecule, exhibiting strong intermolecular interactions between the GO core (A) and the covalently anchored porphyrin molecule (D). To demonstrate the universal role of GO-TPP as an electron cascade material, ternary blend organic photovoltaics based on [6,6]-phenyl-C71-butyric-acid-methyl-ester (PC71BM) as an electron acceptor material and two different polymer donor materials, poly[N-9'-hepta-decanyl-2,7-carbazole-alt-5,5-(40,70-di-2-thienyl-20,10,30-benzothiadiazole)] (PCDTBT) and the highly efficient poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}) (PTB7), were fabricated. The addition of GO-TPP into the active layer implies continuous percolation paths between the D-A interfaces, enhancing charge transport, reducing exciton recombination and thus improving the photovoltaic performance of the device. A simultaneous increase of short circuit current density (Jsc), open-circuit voltage (Voc) and fill factor (FF), compared to the PTB7:PC71BM reference cell, led to an improved power conversion efficiency (PCE) of 8.81% for the PTB7:GO-TPP:PC71BM-based device, owing mainly to the more efficient energy level offset between the active layer components.A graphene-based porphyrin molecule (GO-TPP) was synthesized by covalent linkage of graphene oxide (GO) with 5-(4-aminophenyl)-10,15,20-triphenyl porphyrin (TPP-NH2). The yielded graphene-based material is a donor-acceptor (D-A) molecule, exhibiting strong intermolecular interactions between the GO core (A) and the covalently anchored porphyrin molecule (D). To demonstrate the universal role of GO-TPP as an electron cascade material, ternary blend organic photovoltaics based on [6,6]-phenyl-C71-butyric

  16. High volume intermetallics reinforced Ti-based composites in situ synthesized from Ti-Si-Sn ternary system

    International Nuclear Information System (INIS)

    Research highlights: → Ti-based composites reinforced with 20-40 vol.% eutectic Ti5Si3 or Ti3Sn + Ti5Si3 intermetallics were in situ synthesized. → Significant increase of Young's modulus and ultimate compressive strength was obtained. → Modification of the shape and interface of the intermetallic particles can further improve the mechanical properties. - Abstract: Ti-based alloys or composites reinforced with high fraction of intermetallic or ceramic phases may be good candidate for aerospace components operating under vibration and extremely difficult environments that require high strength, elasticity and damping capacity. In the present work, Ti-based composites reinforced with eutectic Ti5Si3 or Ti3Sn + Ti5Si3 intermetallics with volume fraction up to 20-40% have been synthesized from the Ti-Si-Sn ternary system, through non-consumable vacuum arc melting. The composites exhibit a hyporeutectic microstructure with primary Ti solid solution or/and Ti3Sn phases, plus an (α-Ti + Ti5Si3) eutectic. The results of room-temperature compressive test show that the composites exhibit significant increase of Young's modulus and higher ultimate compressive strength (UCS) than the Ti-Si hypoeutectic alloy, which can be attributed to the presence of intermetallics i.e. Ti5Si3 or (Ti3Sn + Ti5Si3) and the solute atom Sn in the Ti matrix. It is implied from the fractography that modification of the shape and interface of the intermetallics particles can further improve the mechanical properties of the Ti-based composites.

  17. Influence of the active layer nanomorphology on device performance for ternary PbS x Se1-x quantum dots based solution-processed infrared photodetector

    Science.gov (United States)

    Song, Taojian; Cheng, Haijuan; Fu, Chunjie; He, Bo; Li, Weile; Xu, Junfeng; Tang, Yi; Yang, Shengyi; Zou, Bingsuo

    2016-04-01

    In this paper, the influence of the active layer nanomorphology on device performance for ternary PbS x Se1-x quantum dot-based solution-processed infrared photodetector is presented. Firstly, ternary PbS x Se1-x quantum dots (QDs) in various chemical composition were synthesized and the bandgap of the ternary PbS x Se1-x QDs can be controlled by the component ratio of S/(S + Se), and then field-effect transistor (FET) based photodetectors Au/PbS0.4Se0.6:P3HT/PMMA/Al, in which ternary PbS0.4Se0.6 QDs doped with poly(3-hexylthiophene) (P3HT) act as the active layer and poly(methyl methacrylate) (PMMA) as the dielectric layer, were presented. By changing the weight ratio of P3HT to PbS0.4Se0.6 QDs (K = MP3HT:MQDs) in dichlorobenzene solution, we found that the device with K = 2:1 shows optimal electrical property in dark; however, the device with K = 1:2 demonstrated optimal performance under illumination, showing a maximum responsivity and specific detectivity of 55.98 mA W-1 and 1.02 × 1010 Jones, respectively, at low V DS = -10 V and V G = 3 V under 980 nm laser with an illumination intensity of 0.1 mW cm-2. By measuring the atomic force microscopy phase images of PbS0.4Se0.6:P3HT films in different weight ratio K, our experimental data show that the active layer nanomorphology has a great influence on the device performance. Also, it provides an easy way to fabricate high performance solution-processed infrared photodetector.

  18. Measurements of second-order susceptibility at λ=1.5 μm in CdTe-based ternary alloys for efficient wavelength conversion

    Science.gov (United States)

    Zappettini, Andrea; Pietralunga, Silvia M.; Milani, Antonella; Martinelli, Mario; Mycielski, Andrzej

    2000-10-01

    We have characterized the second-order optical nonlinear response of II-VI semiconductor ternary compounds Cd0.8Zn0.2Te and Cd0.78Mn0.22Te at λ=1.5 μm. A spectrally resolved phase-mismatch second-harmonic generation (SHG) technique has been used on bulk single crystals, exploiting 10-13 s optical pulses and multichannel detection. The nonlinear d coefficient has been measured and chromatic dispersion parameters have been validated. By normalizing SHG results in view of applications to all-optical wavelength conversion, the tested compounds prove to be interesting alternatives to more renowned AlxGa1-xAs.

  19. Fe-Cr-V ternary alloy-based ferritic steels for high- and low-temperature applications

    International Nuclear Information System (INIS)

    The phase stability of alloys and steels developed for application in nuclear fission and fusion technology is one of the decisive factors determining the potential range of operating temperatures and radiation conditions that the core elements of a power plant can tolerate. In the case of ferritic and ferritic-martensitic steels, the choice of the chemical composition is dictated by the phase diagram for binary FeCr alloys where in the 0-9% range of Cr composition the alloy remains in the solid solution phase at and below the room temperature. For Cr concentrations exceeding 9% the steels operating at relatively low temperatures are therefore expected to exhibit the formation of α' Cr-rich precipitates. These precipitates form obstacles for the propagation of dislocations, impeding plastic deformation and embrittling the material. This sets the low temperature limit for the use of of high (14% to 20%) Cr steels, which for the 20% Cr steels is at approximately 600 deg. C. On the other hand, steels containing 12% or less Cr cannot be used at temperatures exceeding ∼600 deg. C due to the occurrence of the α-γ transition (912 deg. C in pure iron and 830 deg. C in 7% Cr alloy), which weakens the steel in the high temperature limit. In this study, we investigate the physical properties of a concentrated ternary alloy system that attracted relatively little attention so far. The phase diagram of ternary Fe-Cr-V alloy shows no phase boundaries within a certain broad range of Cr and V concentrations. This makes the alloy sufficiently resistant to corrosion and suggests that steels and dispersion strengthened materials based on this alloy composition may have better strength and stability at high temperatures. Experimental heats were produced on a laboratory scale by arc melting the material components to pellets, then by melting the pellets in an induction furnace and casting the melt into copper moulds. The compositions in weight percent (iron base) are 10Cr5V, 10Cr

  20. Mechanochemical reactions on copper-based compounds

    NARCIS (Netherlands)

    H.L. Castricum; H. Bakker; E.K. Poels

    1998-01-01

    Mechanochemical reactions of copper and copper oxides with oxygen and carbon dioxide are discussed, as well as decomposition and reduction of copper compounds by mechanical milling under high-vacuum conditions.

  1. Ternary DNA chip based on a novel thymine spacer group chemistry.

    Science.gov (United States)

    Yang, Yanli; Yildiz, Umit Hakan; Peh, Jaime; Liedberg, Bo

    2015-01-01

    A novel thymine-based surface chemistry suitable for label-free electrochemical DNA detection is described. It involves a simple two-step sequential process: immobilization of 9-mer thymine-terminated probe DNAs followed by backfilling with 9-mer thymine-based spacers (T9). As compared to commonly used organic spacer groups like 2-mercaptoethanol, 3-mercapto-1-propanol and 6-mercapto-1-hexanol, the 9-mer thymine-based spacers offer a 10-fold improvement in discriminating between complementary and non-complementary target hybridization, which is due mainly to facilitated transport of the redox probes through the probe-DNA/T9 layers. Electrochemical measurements, complemented with Surface Plasmon Resonance (SPR) and Quartz Crystal Microbalance (QCM-D) binding analyses, reveal that optimum selectivity between complementary and non-complementary hybridization is obtained for a sensing surface prepared using probe-DNA and backfiller T9 at equimolar concentration (1:1). At this particular ratio, the probe-DNAs are preferentially oriented and easily accessible to yield a sensing surface with favorable hybridization and electron transfer characteristics. Our findings suggest that oligonucleotide-based spacer groups offer an attractive alternative to short organic thiol spacers in the design of future DNA biochips. PMID:25465760

  2. Performance characteristics of concrete based on a ternary calcium sulfoaluminate–anhydrite–fly ash cement

    OpenAIRE

    Ioannou, Socrates; Paine, Kevin; Reig Cerdá, Lucía; Quillin, Keith

    2015-01-01

    This paper reports an assessment of the performance of concrete based on a calcium sulfoaluminate–anhydrite–fly ash cement combination. Concretes were prepared at three different w/c ratios and the properties were compared to those of Portland cement and blast-furnace cement concretes. The assessment involved determination of mechanical and durability properties. The results suggest that an advantageous synergistic effect between and ettringite and fly ash (Ioannou et al., 2014) was reflected...

  3. Study on Mg/Al Weld Seam Based on Zn–Mg–Al Ternary Alloy

    Directory of Open Access Journals (Sweden)

    Liming Liu

    2014-02-01

    Full Text Available Based on the idea of alloying welding seams, a series of Zn–xAl filler metals was calculated and designed for joining Mg/Al dissimilar metals by gas tungsten arc (GTA welding. An infrared thermography system was used to measure the temperature of the welding pool during the welding process to investigate the solidification process. It was found that the mechanical properties of the welded joints were improved with the increasing of the Al content in the Zn–xAl filler metals, and when Zn–30Al was used as the filler metal, the ultimate tensile strength could reach a maximum of 120 MPa. The reason for the average tensile strength of the joint increasing was that the weak zone of the joint using Zn–30Al filler metal was generated primarily by α-Al instead of MgZn2. When Zn–40Al was used as the filler metal, a new transition zone, about 20 μm-wide, appeared in the edge of the fusion zone near the Mg base metal. Due to the transition zones consisting of MgZn2- and Al-based solid solution, the mechanical property of the joints was deteriorated.

  4. Zirconia-based luminescent organic-inorganic hybrid materials with ternary europium (III) complexes bonded

    Science.gov (United States)

    Yang, Jing; Li, Zhiqiang; Xu, Yang; Wang, Yige

    2016-05-01

    In this work, a novel red-emitting organic-inorganic hybrid material with europium (III) lanthanide β-diketonate complexes linked to a zirconia was reported, which was realized by adduct formation with zirconia-tethered terpyridine moieties. Luminescence enhancement of the hybrid material has been observed compared with pure Eu(tta)3·2H2O. Transparent and strongly luminescent thin films based on PMMA were also prepared at room temperature, which are highly luminescent under UV-light irradiation and possess a promising prospect in the area of optics.

  5. Neutronics Evaluation of Lithium-Based Ternary Alloys in IFE Blankets

    Energy Technology Data Exchange (ETDEWEB)

    Jolodosky, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Fratoni, M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-11-20

    Pre-conceptual fusion blanket designs require research and development to reflect important proposed changes in the design of essential systems, and the new challenges they impose on related fuel cycle systems. One attractive feature of using liquid lithium as the breeder and coolant is that it has very high tritium solubility and results in very low levels of tritium permeation throughout the facility infrastructure. However, lithium metal vigorously reacts with air and water and presents plant safety concerns. If the chemical reactivity of lithium could be overcome, the result would have a profound impact on fusion energy and associated safety basis. The overriding goal of this project is to develop a lithium-based alloy that maintains beneficial properties of lithium (e.g. high tritium breeding and solubility) while reducing overall flammability concerns. To minimize the number of alloy combinations that must be explored, only those alloys that meet certain nuclear performance metrics will be considered for subsequent thermodynamic study. The specific scope of this study is to evaluate the neutronics performance of lithium-based alloys in the blanket of an inertial confinement fusion (ICF) engine. The results of this study will inform the development of lithium alloys that would guarantee acceptable neutronics performance while mitigating the chemical reactivity issues of pure lithium.

  6. Ternary rare-earth based alternative gate-dielectrics for future integration in MOSFETs

    Energy Technology Data Exchange (ETDEWEB)

    Schubert, Juergen; Lopes, Joao Marcelo; Durgun Oezben, Eylem; Luptak, Roman; Lenk, Steffi; Zander, Willi; Roeckerath, Martin [IBN 1-IT, Forschungszentrum Juelich, 52425 Juelich (Germany)

    2009-07-01

    The dielectric SiO{sub 2} has been the key to the tremendous improvements in Si-based metal-oxide-semiconductor (MOS) device performance over the past four decades. It has, however, reached its limit in terms of scaling since it exhibits a leakage current density higher than 1 A/cm{sup 2} and does not retain its intrinsic physical properties at thicknesses below 1.5 nm. In order to overcome these problems and keep Moore's law ongoing, the use of higher dielectric constant (k) gate oxides has been suggested. These high-k materials must satisfy numerous requirements such as the high k, low leakage currents, suitable band gap und offsets to silicon. Rare-earth based dielectrics are promising materials which fulfill these needs. We will review the properties of REScO{sub 3} (RE = La, Dy, Gd, Sm, Tb) and LaLuO{sub 3} thin films, grown with pulsed laser deposition, e-gun evaporation or molecular beam deposition, integrated in capacitors and transistors. A k > 20 for the REScO{sub 3} (RE = Dy, Gd) and around 30 for (RE = La, Sm, Tb) and LaLuO{sub 3} are obtained. Transistors prepared on SOI and sSOI show mobility values up to 380 cm{sup 2}/Vs on sSOI, which are comparable to such prepared with HfO{sub 2}.

  7. Cerium-based binary and ternary oxides in the transesterification of dimethylcarbonate with phenol.

    Science.gov (United States)

    Dibenedetto, Angela; Angelini, Antonella; di Bitonto, Luigi; De Giglio, Elvira; Cometa, Stefania; Aresta, Michele

    2014-04-01

    Diphenyl carbonate (DPC) plays a key role in phosgene-free carbonylation processes. It can be produced by transesterification of dimethyl carbonate (DMC) with phenol in the presence of catalysts. Methyl phenyl carbonate (MPC) is first produced that is then converted into DPC by either disproportionation or further transesterification with phenol. Cerium-based bimetallic oxides (with the heterometal being niobium, iron, palladium, or aluminum) are used as catalysts in the transesterification of DMC to synthesize MPC. The catalytic activity is affected by the type and concentration of the heterometal. XPS, IR and elementary analyses are employed to characterize the new catalysts. Differently from pure oxides, the mixed oxides produce a significant increase of the conversion and selectivity towards MPC. PMID:24616260

  8. Ternary and quaternary nanocomposites based on polystyrene, SBS, organically modified clay and silicone-polyether

    International Nuclear Information System (INIS)

    This work aims the study of toughened nanocomposites based on polystyrene (PS), poly(styrene-b-butadiene-b-styrene) (SBS), organically modified clay (C20A) and silicone-polyether, PDMS-POE. The intercalation of the copolymer PDMS-POE into the clay galleries increased the interlamellar distance, improving the exfoliation of the clay during the extrusion process of the materials. C20A/PDMS-POE nanocomposite, MC20A, was prepared by mechanical mixture using 1:1 wt% ratio. MC20A was incorporated into PS and PS/SBS blends using an extruder. The materials were characterized by X-ray diffraction and stress-strain mechanical tests. MC20A/PS/SBS, prepared by extrusion, showed an increase in the interlamellar distance, suggesting the intercalation of PS or SBS into the clay galleries. The PDMSPOE acted as a 'plasticizer' for PS and PS/SBS blend. However, this effect was not reverted by the clay addition. On the contrary, the 'plasticizer' effect was intensified by the clay maybe due to the slip characteristics of PDMS-POE associated with the lamella orientation. (author)

  9. The ternary Goldbach conjecture is true

    OpenAIRE

    Helfgott, H. A.

    2013-01-01

    The ternary Goldbach conjecture, or three-primes problem, asserts that every odd integer $n$ greater than $5$ is the sum of three primes. The present paper proves this conjecture. Both the ternary Goldbach conjecture and the binary, or strong, Goldbach conjecture had their origin in an exchange of letters between Euler and Goldbach in 1742. We will follow an approach based on the circle method, the large sieve and exponential sums. Some ideas coming from Hardy, Littlewood and Vinogradov are r...

  10. INDOOR AIR QUALITY DATA BASE FOR ORGANIC COMPOUNDS

    Science.gov (United States)

    The report gives results of the compilation of a data base for concentrations of organic compounds measured indoors. ased on a review of the literature from 1979 through 1990, the data base contains information on over 220 compounds ranging in molecular weight from 30 to 446. he ...

  11. Microstructural and mechanical characterization of Nb-based in situ composites from Nb-Si-Ti ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Li, Z. [Department of Mechanics and Mechanical Engineering, CAS Key Laboratory for Mechanical Behavior and Design of Materials, School of Engineering Science, University of Science and Technology of China, Hefei 230026, Anhui (China); Peng, L.M. [Department of Mechanics and Mechanical Engineering, CAS Key Laboratory for Mechanical Behavior and Design of Materials, School of Engineering Science, University of Science and Technology of China, Hefei 230026, Anhui (China)], E-mail: penglm@ustc.edu.cn

    2007-11-15

    This study deals with the Nb-niobium silicide-based composites developed by the hot-pressing of Nb-Si-Ti ternary powder mixtures with a fixed Ti addition (6 at.%) and Si content ranging from hypereutectic (11 at.%) to near-eutectic compositions (18 at.%). The effects of Si content, Ti addition and strain rates on the sample microstructural characterization, flexural strength, fracture toughness, quasi-static compressive deformation and failure processes were investigated. It was revealed that the volume fraction of silicides increased with increasing Si content, and most of the Ti atoms dissolved into the niobium silicides to form (Nb,Ti){sub 5}Si{sub 3} solid solutions instead of binary titanium silicides. The experimental evidence showed that a moderate improvement in the flexural strength, fracture toughness and compressive yield stress of the composites was achieved by the addition of Ti. Higher Si additions produced a much more remarkable enhancement in the compressive yield stress and bulk hardness, whereas both the flexural strength and fracture toughness decreased with increasing Si content owing to the existence of residual porosities in the samples. The composites showed remarkable superiority to the arc-melted Nb-Si alloys and monolithic niobium silicides in fracture toughness (8.3-13.0MPa{radical}(m) vs. 4.5MPa{radical}(m)), where the toughening effect was attributed mainly to crack bridging and crack deflection by the remaining ductile Nb phase. Moreover, quasi-static uniaxial compression tests at strain rates between 10{sup -5} and 10{sup -3} s{sup -1} indicated that the deformation behavior and failure processes were significantly affected by Si content and strain rates. The strain-rate-hardening behavior for all the strain rates was observed in the composite materials and the strain-rate sensitivity decreased with increasing Si content. At a lower strain rate, the composite materials with a hypoeutectic Si composition failed with a pseudoplastic

  12. Ternary optical computer principle

    Institute of Scientific and Technical Information of China (English)

    金翊; 何华灿; 吕养天

    2003-01-01

    The fundamental principle and the characteristics of ternary optical computer, using horizontal polarized light, vertical polarized light and no-intensity to express information, are propounded in thispaper. The practicability to make key parts of the ternary optical computer from modern micro or integrated optical devices, opto-electronic and electro-photonic elements is discussed. The principle can be applied in three-state optical fiber communication via horizontal and vertical polarized light.

  13. The heterocyclic compounds on the base of glycerin derivatives

    International Nuclear Information System (INIS)

    On the base of functional glycerin derivatives as a result of condensation them with different compounds (aldehydes, ketones, acetoacetic ether and etc.) receive vast row of heterocyclic compounds, which found wide use as a drugs in medicine, as a insects-fungicides in agriculture, as a monomers for polymerization, as a reagents for organic synthesis and etc

  14. Regularities of formation of ternary alloy phases between non-transition metals

    Institute of Scientific and Technical Information of China (English)

    姚莉秀; 陈瑞亮; 钦佩; 陈念贻; 陆文聪

    2000-01-01

    Using a four-parameter model based on extended Miedema’ s cellular model of alloy phases and pattern recognition methods, the regularities of formation of ternary intermetallic compounds between non-transition metals have been investigated. The criterion of formation can be expressed as some empirical functions of Φ (electronegativity), nws1/3( valence electron density in Wagn-er-Seitz cell), R (Pauling’s metallic radius) and Z (number of valence electrons in atom).

  15. Synthesis and single-crystal structure of the pseudo-ternary compounds LiA[N(CN){sub 2}]{sub 2} (A = K or Rb)

    Energy Technology Data Exchange (ETDEWEB)

    Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Baker Lab.

    2016-04-01

    Crystals of LiA[N(CN){sub 2}]{sub 2} were obtained from the reaction of LiCl and ACl (A = K or Rb) with Ag[N(CN){sub 2}] in water and subsequent evaporation of the filtered solution at 80 C under normal atmospheric conditions. Crystals of the title compound form thin rectangular plates that are transparent, colorless, and very fragile. Single-crystal structure analyses have shown that both compounds are isotypic and adopt the tetragonal space group I4/mcm (no. 140, Z = 4) with the cell parameters a = 701.53(12) and c = 1413.7(5) pm for LiK[N(CN){sub 2}]{sub 2} and a = 730.34(10) and c = 1414.4(4) pm for LiRb[N(CN){sub 2}]{sub 2}. The crystal structure is described and compared to that of the pseudo-binary alkali metal dicyanamides.

  16. Ternary semiconductor compounds CuInS{sub 2} (CIS) thin films synthesized by electrochemical atomic layer deposition (EC-ALD)

    Energy Technology Data Exchange (ETDEWEB)

    Lin Shaoxiong; Shi Xuezhao; Zhang Xin; Kou Huanhuan [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Wang Chunming, E-mail: wangcm@lzu.edu.cn [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China)

    2010-04-15

    In this paper the formation and characterization of the I-III-VI{sub 2} semiconductor compound CuInS{sub 2} (CIS) on gold substrate at room temperature by electrochemical atomic layer deposition (EC-ALD) method are reported. Optimum deposition potentials for each element are determined using cyclic voltammetry (CV) technique and Amperometric I-t method is used to prepare the semiconductor compound. These thin films were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FE-SEM) and Fourier transform infrared spectroscopy (FT-IR). XRD results indicate that the CIS thin films have a (1 1 2) preferred orientation. The XPS analyses of the films reveal that Cu, In and S are present in an atomic ratio of approximately 1:1:2. And their semiconductor band gaps are found to be 1.50 eV by FT-IR.

  17. Polysaccharide-based polyanion--polycation--polyanion ternary systems. A preliminary analysis of interpolyelectrolyte interactions in dilute solutions.

    Science.gov (United States)

    Donati, Ivan; Feresini, Massimo; Travan, Andrea; Marsich, Eleonora; Lapasin, Romano; Paoletti, Sergio

    2011-11-14

    The present contribution deals with the preparation and characterization of ternary mixtures of polysaccharides with potential applications in the field of tissue engineering. Two natural polyanions, i.e., alginate and hyaluronic acid, and a polycation, a lactose-modified chitosan (chitlac), were mixed in dilute conditions. The miscibility between the three components was explored in the presence of different amounts of supporting simple salt. These analyses allowed to identify the experimental conditions avoiding polymer phase separation and leading to either solution of independent polymers or soluble nonstoichiometric interpolyelectrolyte complexes. The characterization of the interpolyelectrolyte complexes was tackled by means of viscometry, light scattering, fluorescence quenching, and energy transfer. The electrostatic interactions taking place among the different polyelectrolytes led to synergistic effects on the viscosity of the polymer mixtures which strongly depend on the ionic strength. It has been found that, starting from binary soluble complexes of alginate and chitlac, the addition of hyaluronan led to the dissolution of the complexes. At variance, the addition of alginate to a phase-separated binary mixture of hyaluronan and chitlac led to the formation of soluble complexes composed of all three polysaccharides and, eventually, to their dissolution. In addition, the results showed that at low ionic strength the overall properties of the ternary mixtures depend on their order of mixing. PMID:21995461

  18. Carbon-Based Compounds and Exobiology

    Science.gov (United States)

    Kerridge, John; DesMarais, David; Khanna, R. K.; Mancinelli, Rocco; McDonald, Gene; diBrozollo, Fillipo Radicati; Wdowiak, Tom

    1996-01-01

    The Committee for Planetary and Lunar Explorations (COMPLEX) posed questions related to exobiological exploration of Mars and the possibility of a population of carbonaceous materials in cometary nuclei to be addressed by future space missions. The scientific objectives for such missions are translated into a series of measurements and/or observations to be performed by Martian landers. These are: (1) A detailed mineralogical, chemical, and textural assessment of rock diversity at a landing site; (2) Chemical characterization of the materials at a local site; (3) Abundance of Hydrogen at any accessible sites; (4) Identification of specific minerals that would be diagnostic of aqueous processes; (5) Textual examination of lithologies thought to be formed by aqueous activity; (6) Search for minerals that might have been produced as a result of biological processes; (7) Mapping the distribution, in three dimensions, of the oxidant(s) identified on the Martian surface by the Viking mission; (8) Definition of the local chemical environment; (9) Determination of stable-isotopic ratios for the biogenic elements in surface mineral deposits; (10) Quantitative analysis of organic (non-carbonate) carbon; (11) Elemental and isotopic composition of bulk organic material; (12) Search for specific organic compounds that would yield information about synthetic mechanisms, in the case of prebiotic evolution, and about possible bio-markers, in the case of extinct or extant life; (13) and Coring, sampling, and detection of entrained gases and cosmic-ray induced reaction products at the polar ice cap. A discussion of measurements and/or observations required for cometary landers is included as well.

  19. Pathways for tailoring the magnetostructural response of FeRh-based compounds

    Science.gov (United States)

    Barua, Radhika

    /chemically-modified counterparts were examined using a variety of structural and magnetic probes including x-ray diffraction (synchrotron and laboratory based), transmission electron microscopy (TEM) and magnetometry. Overall, the results achieved in this work provide predictive capability and pathways for tailoring the magnetostructural behavior and the associated functional response of FeRh systems for potential technological applications such as magnetic refrigeration and heat-assisted magnetic recording media. Further, insight is gained into the mechanism of magnetostructural phenomena at the fundamental atomic level. In particular, the experimental evidence obtained in this work suggests that the magnetostructural response of FeRh-based compounds depends upon both the electronic state of the system and the magnetovolume effect. Despite the success achieved in this Dissertation, many open questions regarding the first-order magnetostructural transition in FeRh systems still persist. The concluding chapter of this Dissertation provides recommendations for future experiments that may be conducted to develop a more advanced understanding of the fundamental thermodynamic and kinetic factors influencing the magnetostructural phase transformation process in FeRh and related intermetallic compounds. Further, it is anticipated that computational studies aimed at modeling the magnetostructural behavior of FeRh-based ternary alloys using ab initio calculations and density functional theory will be useful for providing a theoretical framework to the results obtained in this study. Despite the success achieved in this Dissertation, many open questions regarding the first-order magnetostructural transition in FeRh systems still persist. The concluding chapter of this Dissertation provides recommendations for future experiments that may be conducted to develop a more advanced understanding of the fundamental thermodynamic and kinetic factors influencing the magnetostructural phase transformation process in

  20. Crystal structures of new ternary compounds in RE-Pt-Pb and RE-Au-Pb systems (RE = rare earth metal)

    Energy Technology Data Exchange (ETDEWEB)

    Melnyk, G. [Institut fuer Anorganische Chemie und Analytische Chemie, Johannes Gutenberg-Universitaet Mainz, Duesbergweg 10-14, D-55099 Mainz (Germany); Gulay, L.D. [Department of General and Inorganic Chemistry, Volyn State University, Voli Ave 13, 43025 Lutsk (Ukraine); Tremel, W., E-mail: tremel@uni-mainz.de [Institut fuer Anorganische Chemie und Analytische Chemie, Johannes Gutenberg-Universitaet Mainz, Duesbergweg 10-14, D-55099 Mainz (Germany)

    2012-07-05

    Highlights: Black-Right-Pointing-Pointer We have performed a phase analysis of the systems RE-Pt-Pb and REPtPb (RE = rare earth). Black-Right-Pointing-Pointer We have prepared the compounds RE-Pt-Pb and REPtPb by arc melting and subsequent annealing. Black-Right-Pointing-Pointer We have determined the structures of Pr{sub 2}Pt{sub 2}Pb, PrPtPb, and Yb{sub 2}Au{sub 2}Pb by X-ray powder diffraction. - Abstract: The crystal structures of the compounds RE{sub 2}Pt{sub 2}Pb (RE = Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb and Lu; Mo{sub 2}FeB{sub 2} structure type, space group P4/mbm, Pearson code tP10), REPtPb (RE = La, Ce, Pr, Nd, Sm; ZrNiAl structure type, space group P6{sup Macron }2m, Pearson code hP9), RE{sub 2}Au{sub 2}Pb (RE = Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb and Lu; Er{sub 2}Au{sub 2}Sn structure type, space group P4{sub 2}/mnm, Pearson code tP20) and REAuPb (RE = Tm, Yb and Lu) were determined using X-ray powder diffraction.

  1. APPROACH ON INTELLIGENT OPTIMIZATION DESIGN BASED ON COMPOUND KNOWLEDGE

    Institute of Scientific and Technical Information of China (English)

    Yao Jianchu; Zhou Ji; Yu Jun

    2003-01-01

    A concept of an intelligent optimal design approach is proposed, which is organized by a kind of compound knowledge model. The compound knowledge consists of modularized quantitative knowledge, inclusive experience knowledge and case-based sample knowledge. By using this compound knowledge model, the abundant quantity information of mathematical programming and the symbolic knowledge of artificial intelligence can be united together in this model. The intelligent optimal design model based on such a compound knowledge and the automatically generated decomposition principles based on it are also presented. Practically, it is applied to the production planning, process schedule and optimization of production process of a refining & chemical work and a great profit is achieved. Specially, the methods and principles are adaptable not only to continuous process industry, but also to discrete manufacturing one.

  2. Reliability of earth dams on compound base

    OpenAIRE

    G.Ya. Bulatov; D.S. Gatanov

    2012-01-01

    This article deals with the design of earth dams (estimating filter strength, compressibility and permeability of soils, studing of the stress-strain state, etc.) The authors look through a new, not previously discussed task of reliability of groundwater dams in extreme conditions like an influence of new and additional loads in the form of intense deformation of elongation and the base curvature.The dependences that allow determining the permissible values of deformations of ground dams eart...

  3. Antitrypanosomal activity of 5-nitro-2-aminothiazole-based compounds.

    Science.gov (United States)

    Papadopoulou, Maria V; Bloomer, William D; Rosenzweig, Howard S; Wilkinson, Shane R; Szular, Joanna; Kaiser, Marcel

    2016-07-19

    A small series of 5-nitro-2-aminothiazole-based amides containing arylpiperazine-, biphenyl- or aryloxyphenyl groups in their core were synthesized and evaluated as antitrypanosomatid agents. All tested compounds were active or moderately active against Trypanosoma cruzi amastigotes in infected L6 cells and Trypanosoma brucei brucei, four of eleven compounds were moderately active against Leishmania donovani axenic parasites while none were deemed active against T. brucei rhodesiense. For the most active/moderately active compounds a moderate selectivity against each parasite was observed. There was good correlation between lipophilicity (clogP value) and antileishmanial activity or toxicity against L6 cells. Similarly, good correlation existed between clogP values and IC50 values against T. cruzi in structurally related subgroups of compounds. Three compounds were more potent as antichagasic agents than benznidazole but were not activated by the type I nitrorectusase (NTR). PMID:27092415

  4. On new ternary equiatomic scandium transition metal aluminum compounds ScTAl with T = Cr, Ru, Ag, Re, Pt, and Au

    Energy Technology Data Exchange (ETDEWEB)

    Radzieowski, Mathis; Janka, Oliver [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Benndorf, Christopher [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Haverkamp, Sandra [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; University of Sao Paulo, Sao Carlos, SP (Brazil). Inst. of Physics

    2016-08-01

    The new equiatomic scandium transition metal aluminides ScTAl for T = Cr, Ru, Ag, Re, Pt, and Au were obtained by arc-melting of the elements followed by subsequent annealing for crystal growth. The samples were studied by powder and single crystal X-ray diffraction. The structures of three compounds were refined from single crystal X-ray diffractometer data: ScCrAl, MgZn{sub 2} type, P6{sub 3}/mmc, a = 525.77(3), c = 858.68(5) pm, R{sub 1} = 0.0188, wR{sub 2} = 0.0485, 204 F{sup 2} values, 13 variables, ScPtAl, TiNiSi type, Pnma, a = 642.83(4), b = 428.96(2), c = 754.54(5) pm, R{sub 1} = 0.0326, wR{sub 2} = 0.0458, 448 F{sup 2} values, 20 variables and ScAuAl, HfRhSn type, P anti 62c, a = 722.88(4), c = 724.15(4) pm, R{sub 1} = 0.0316, wR{sub 2} = 0.0653, 512 F{sup 2} values, 18 variables. Phase pure samples of all compounds were furthermore investigated by magnetic susceptibility measurements, and Pauli-paramagnetism but no superconductivity was observed down to 2.1 K for all of them. The local structural features and disordering phenomena have been characterized by {sup 27}Al and {sup 45}Sc magic angle spinning (MAS) and static NMR spectroscopic investigations.

  5. No-reference stereoscopic image quality measurement based on generalized local ternary patterns of binocular energy response

    Science.gov (United States)

    Zhou, Wujie; Yu, Lu

    2015-09-01

    Perceptual no-reference (NR) quality measurement of stereoscopic images has become a challenging issue in three-dimensional (3D) imaging fields. In this article, we propose an efficient binocular quality-aware features extraction scheme, namely generalized local ternary patterns (GLTP) of binocular energy response, for general-purpose NR stereoscopic image quality measurement (SIQM). More specifically, we first construct the binocular energy response of a distorted stereoscopic image with different stimuli of amplitude and phase shifts. Then, the binocular quality-aware features are generated from the GLTP of the binocular energy response. Finally, these features are mapped to the subjective quality score of the distorted stereoscopic image by using support vector regression. Experiments on two publicly available 3D databases confirm the effectiveness of the proposed metric compared with the state-of-the-art full reference and NR metrics.

  6. Microstructural and Electronic Origins of Open-Circuit Voltage Tuning in Organic Solar Cells Based on Ternary Blends

    KAUST Repository

    Mollinger, Sonya A.

    2015-09-22

    © 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. Organic ternary heterojunction photovoltaic blends are sometimes observed to undergo a gradual evolution in open-circuit voltage (Voc) with increasing amounts of a second donor or an acceptor. The Voc is strongly correlated with the energy of the charge transfer state in the blend, but this value depends on both local and mesoscopic orders. In this work, the behavior of Voc in the presence of a wide range of interfacial electronic states is investigated. The key charge transfer state interfaces responsible for Voc in several model systems with varying morphology are identified. Systems consisting of one donor with two fullerene molecules and of one acceptor with a donor polymer of varying regio-regularity are used. The effects from the changing energetic disorder in the material and from the variation due to a law of simple mixtures are quantified. It has been found that populating the higher-energy charge transfer states is not responsible for the observed change in Voc upon the addition of a third component. Aggregating polymers and miscible fullerenes are compared, and it has been concluded that in both cases charge delocalization, aggregation, and local polarization effects shift the lowest-energy charge transfer state distribution. The open-circuit voltage evolution and charge transfer state interfaces in ternary organic photovoltaic blends are investigated using several model systems. The changes in subgap spectra from energetic disorder and increased population of higher energy states are analyzed and the lowest charge transfer state distribution is observed to shift due to local aggregation and delocalization effects.

  7. Dye sensitized solar cells based on novel bipolar spiro compounds

    Energy Technology Data Exchange (ETDEWEB)

    Salbeck, Josef [Macromolecular Chemistry and Molecular Materials (mmCmm), Department of Science and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), University of Kassel, Heinrich-Plett-Strasse 40, 34109 Kassel (Germany)

    2007-07-01

    We report dye sensitized solar cells (DSSC) based on novel bipolar spiro compounds containing perylene and diphenylamino moiety. The corresponding compound has high extinction coefficient ({proportional_to}10{sup 5} M{sup -1}cm{sup -1}) and, therefore, is a potential compound for DSSCs applications. After an ultraviolet treatment of the device, the short circuit current density increases from 0.04 mA cm{sup -2} to 0.10 mA cm{sup -2} especially with t-butyl ammonium ion containing cell. In contrast, no noticeable change in current density in device containing lithium ion has been observed.

  8. The volatile compound BinBase mass spectral database

    Directory of Open Access Journals (Sweden)

    Barupal Dinesh K

    2011-08-01

    Full Text Available Abstract Background Volatile compounds comprise diverse chemical groups with wide-ranging sources and functions. These compounds originate from major pathways of secondary metabolism in many organisms and play essential roles in chemical ecology in both plant and animal kingdoms. In past decades, sampling methods and instrumentation for the analysis of complex volatile mixtures have improved; however, design and implementation of database tools to process and store the complex datasets have lagged behind. Description The volatile compound BinBase (vocBinBase is an automated peak annotation and database system developed for the analysis of GC-TOF-MS data derived from complex volatile mixtures. The vocBinBase DB is an extension of the previously reported metabolite BinBase software developed to track and identify derivatized metabolites. The BinBase algorithm uses deconvoluted spectra and peak metadata (retention index, unique ion, spectral similarity, peak signal-to-noise ratio, and peak purity from the Leco ChromaTOF software, and annotates peaks using a multi-tiered filtering system with stringent thresholds. The vocBinBase algorithm assigns the identity of compounds existing in the database. Volatile compound assignments are supported by the Adams mass spectral-retention index library, which contains over 2,000 plant-derived volatile compounds. Novel molecules that are not found within vocBinBase are automatically added using strict mass spectral and experimental criteria. Users obtain fully annotated data sheets with quantitative information for all volatile compounds for studies that may consist of thousands of chromatograms. The vocBinBase database may also be queried across different studies, comprising currently 1,537 unique mass spectra generated from 1.7 million deconvoluted mass spectra of 3,435 samples (18 species. Mass spectra with retention indices and volatile profiles are available as free download under the CC-BY agreement (http

  9. Synthesis, structural characterization and cytotoxic activity of ternary copper(II)-dipeptide-phenanthroline complexes. A step towards the development of new copper compounds for the treatment of cancer.

    Science.gov (United States)

    Iglesias, Sebastián; Alvarez, Natalia; Torre, María H; Kremer, Eduardo; Ellena, Javier; Ribeiro, Ronny R; Barroso, Rafael P; Costa-Filho, Antonio J; Kramer, M Gabriela; Facchin, Gianella

    2014-10-01

    In the search for new compounds with antitumor activity, coordination complexes with different metals are being studied by our group. This work presents the synthesis and characterization of six copper complexes with general stoichiometry [Cu(L-dipeptide)(phen)]·nH2O (were phen=1,10-phenanthroline) and their cytotoxic activities against tumor cell lines. To characterize these systems, analytical and spectroscopic studies were performed in solid state (by UV-visible, IR, X-ray diffraction) including the crystal structure of four new complexes (of the six complexes studied): [Cu(Ala-Phe)(phen)]·4H2O, [Cu(Phe-Ala)(phen)]·4H2O, [Cu(Phe-Val)(phen)]·4.5H2O and [Cu(Phe-Phe)(phen)]·3H2O. In all of them, the copper ion is situated in a distorted squared pyramidal environment. The phen ligand is perpendicular to the dipeptide, therefore exposed and potentially available for interaction with biological molecules. In addition, for all the studied complexes, structural information in solution using EPR and UV-visible spectroscopies were obtained, showing that the coordination observed in solid state is maintained. The lipophilicity, DNA binding and albumin interaction were also studied. Biological experiments showed that all the complexes induce cell death in the cell lines: HeLa (human cervical adenocarcinoma), MCF-7 (human metastatic breast adenocarcinoma) and A549 (human lung epithelial carcinoma). Among the six complexes, [Cu(Ala-Phe)(phen)] presents the lowest IC50 values. Taken together all these data we hypothesize that [Cu(Ala-Phe)(phen)] may be a good candidate for further studies in vivo. PMID:25033418

  10. Synergistic enhancement of the electro-oxidation of methanol at tailor-designed nanoparticle-based CoOx/MnOx/Pt ternary catalysts

    International Nuclear Information System (INIS)

    Highlights: • A novel ternary nanoparticle-based electrode is fabricated for MOR. • The loading level and deposition sequence of each constituent are crucial for MOR. • CoOx/MnOx/Pt/GC electrode showed a superb catalysis for MOR. • Activity for MOR at CoOx/MnOx/Pt/GC electrode increases with pH. - Abstract: The current study addresses the enhanced electroctrocatalytic activity of a nanoparticle-based ternary catalyst composed of Pt (nano-Pt), manganese oxide (nano-MnOx), and cobalt oxide (nano-CoOx) (all were assembled on a glassy carbon (GC) substrate) towards the direct methanol electro-oxidation reaction (MOR) in an alkaline medium. The electrocatalytic activity of the modified electrodes towards MOR depends on the loading level of nano-Pt, nano-MnOx, and nano-CoOx onto the GC electrode as well as the order of deposition of each component. Interestingly, the CoOx/MnOx/Pt/GC electrode (with nano-Pt firstly deposited onto the GC surface followed by nano-MnOx then nano-CoOx) shows the highest catalytic activity and stability towards MOR for a prolonged time of continuous electrolysis. This is revealed from the large increase (seven times) in the peak current of MOR at this electrode compared with that obtained at Pt/GC electrode. The influence of operating pH on the catalytic activity of the proposed catalyst is investigated. Several techniques including cyclic voltammetry, field-emission scanning electron microscopy and energy dispersive X-ray spectroscopy and X-ray diffraction are used to address the catalytic activity of the catalyst and to reveal its surface morphology and composition

  11. 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.

  12. Ternary fission of superheavy elements

    Science.gov (United States)

    Balasubramaniam, M.; Vijayaraghavan, K. R.; Manimaran, K.

    2016-01-01

    Ternary fission of superheavy nuclei is studied within the three-cluster model potential energy surfaces (PESs). Due to shell effects, the stability of superheavy nuclei has been predicted to be associated with Z =114 , 120, and 126 for protons and N =184 for neutrons. Taking some representative nuclei we have extended the ternary fission studies to superheavy nuclei. We adopted two minimization procedures to minimize the potential and considered different arrangements of the fragments. The PES from one-dimensional minimization reveals a strong cluster region favoring various ternary breakups for an arrangement in which the lightest fragment is kept at the center. The PES obtained from two-dimensional minimization reveals strong preference of ternary fragmentation in the true ternary fission region. Though the dominant decay mode of superheavy nuclei is α decay, the α -accompanied ternary breakup is found to be a nonfavorable one. Further, the prominent ternary combinations are found to be associated with the neutron magic number.

  13. 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.

  14. Ternary ion-association complex based ion imprinted polymers (IIPs) for trace determination of palladium(II) in environmental samples

    International Nuclear Information System (INIS)

    A new ion imprinted polymer (IIP) material was synthesized by co-polymerization of palladium-iodide-vinyl pyridinium/palladium-thiocyanate-vinyl pyridinium ion ternary ion-association complex taken in methanol/DMSO with 2-hydroxyethyl methacrylate (functional monomer) and ethylene glycol dimethacrylate (crosslinking monomer) in the presence of 2,2'-azobisisobutryonitrile (initiator). The imprinted anionic species [PdI4]2- or [Pd(SCN)4]2- were removed by leaching the dried and powdered materials particles for 18 h with 6 M HCl to obtain leached IIP particles. Non-imprinted/control polymers were also prepared in a similar fashion without the template. Various parameters that influence the percent extraction of palladium, viz. concentration of KI or KSCN, pH, weight of polymer particles, preconcentration and elution times, aqueous phase volume, etc., were systematically studied for both the systems, i.e., in batch as well as flow injection modes. As the on-line flow injection-flame atomic absorption spectrometric (FI-FAAS) allow offer higher enrichment factor, better precision and can analyze more samples for a given time, compared to batch method, this procedure is preferred for the analysis of palladium present in the street/fan blade dust samples collected from busy cities of India and the values obtained were compared with the standard ICPMS values

  15. 7Li nuclear magnetic resonance studies of dynamics in a ternary gel polymer electrolyte based on polymeric ionic liquids

    International Nuclear Information System (INIS)

    The influence of the polymeric ionic liquid (PIL) Poly(diallyldimethylammonium bis(trifluoromethylsulfonyl) imide) (PDADMATFSI) on the lithium dynamics was investigated in a ternary gel polymer electrolyte consisting of PDADMATFSI as stabilizing polymer, ionic liquid (1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl) imide, P14TFSI) and lithium salt (lithium bis(trifluoromethylsulfonyl) imide, LiTFSI). The diffusion coefficient of the lithium ions is investigated by pulsed-field-gradient NMR, the conductivity of the electrolyte is determined by impedance spectroscopy. The local lithium dynamics is characterized by 7Li spin lattice relaxation rates (R1). The relaxation rates are well described by Blombergen-Purcell-Pound (BPP) theory at all polymer concentrations (up to 45 mol%), implying that the Li dynamics is governed by one single motional mode. Interestingly, activation energies for this motion decrease from 20 kJ/mol to 15 kJ/mol with increasing polymer content and are independent on the salt content. We thus conclude that the polymer is interacting with the anion coordination shell, which is accompanied by a very beneficial effect on the local lithium dynamics, as the polymer PDADMATFSI reduces the Li-TFSI interactions. This result is promising for further investigations for potential use of PDADMATFSI-containing gels as electrolytes in energy storage devices

  16. Amplifying and compressing optical filter based on one-dimensional ternary photonic crystal structure containing gain medium

    International Nuclear Information System (INIS)

    The transmission spectrum properties of the one-dimensional ternary photonic crystal (1DTPC) structure, composed of dielectric (D), metal (M) and gain (G) materials, with three different arrangements of (DGM)N, (GDM)N and (DMG)N, where N is the number of periodicity, were investigated. Two full photonic band gaps and N−1 resonant peaks, localized between them, were observed on transmittance spectra on near-UV spectrum region. When the gained layer was placed in front of the metal, the peaks appeared with higher resolution. There is a peak, localized on the higher band-edge of the first gap, which shows very interesting property than the other peaks. Thus, it amplifies and compresses faster with increase in the N and strength of the gain coefficient. The effects of the gain coefficient and periodicity number are graphically illustrated. This communication presents a PC structure that can be a good candidate to design an amplifying and compressing single or multi-channel optical filter in the UV region

  17. Ternary ion-association complex based ion imprinted polymers (IIPs) for trace determination of palladium(II) in environmental samples

    Energy Technology Data Exchange (ETDEWEB)

    Daniel, Sobhi [Regional Research Laboratory (CSIR), Inorganic and Analytical Chemistry, Industrial Estate, P.O. Pappanamcode, Trivandrum, Kerala 695019 (India); Praveen, R.S. [Regional Research Laboratory (CSIR), Inorganic and Analytical Chemistry, Industrial Estate, P.O. Pappanamcode, Trivandrum, Kerala 695019 (India); Rao, Talasila Prasada [Regional Research Laboratory (CSIR), Inorganic and Analytical Chemistry, Industrial Estate, P.O. Pappanamcode, Trivandrum, Kerala 695019 (India)]. E-mail: tprasadarao@rediffmail.com

    2006-06-07

    A new ion imprinted polymer (IIP) material was synthesized by co-polymerization of palladium-iodide-vinyl pyridinium/palladium-thiocyanate-vinyl pyridinium ion ternary ion-association complex taken in methanol/DMSO with 2-hydroxyethyl methacrylate (functional monomer) and ethylene glycol dimethacrylate (crosslinking monomer) in the presence of 2,2'-azobisisobutryonitrile (initiator). The imprinted anionic species [PdI{sub 4}]{sup 2-} or [Pd(SCN){sub 4}]{sup 2-} were removed by leaching the dried and powdered materials particles for 18 h with 6 M HCl to obtain leached IIP particles. Non-imprinted/control polymers were also prepared in a similar fashion without the template. Various parameters that influence the percent extraction of palladium, viz. concentration of KI or KSCN, pH, weight of polymer particles, preconcentration and elution times, aqueous phase volume, etc., were systematically studied for both the systems, i.e., in batch as well as flow injection modes. As the on-line flow injection-flame atomic absorption spectrometric (FI-FAAS) allow offer higher enrichment factor, better precision and can analyze more samples for a given time, compared to batch method, this procedure is preferred for the analysis of palladium present in the street/fan blade dust samples collected from busy cities of India and the values obtained were compared with the standard ICPMS values.

  18. A comparative study of novel spectrophotometric methods based on isosbestic points; application on a pharmaceutical ternary mixture.

    Science.gov (United States)

    Lotfy, Hayam M; Saleh, Sarah S; Hassan, Nagiba Y; Salem, Hesham

    2014-05-21

    This work represents the application of the isosbestic points present in different absorption spectra. Three novel spectrophotometric methods were developed, the first method is the absorption subtraction method (AS) utilizing the isosbestic point in zero-order absorption spectra; the second method is the amplitude modulation method (AM) utilizing the isosbestic point in ratio spectra; and third method is the amplitude summation method (A-Sum) utilizing the isosbestic point in derivative spectra. The three methods were applied for the analysis of the ternary mixture of chloramphenicol (CHL), dexamethasone sodium phosphate (DXM) and tetryzoline hydrochloride (TZH) in eye drops in the presence of benzalkonium chloride as a preservative. The components at the isosbestic point were determined using the corresponding unified regression equation at this point with no need for a complementary method. The obtained results were statistically compared to each other and to that of the developed PLS model. The specificity of the developed methods was investigated by analyzing laboratory prepared mixtures and the combined dosage form. The methods were validated as per ICH guidelines where accuracy, repeatability, inter-day precision and robustness were found to be within the acceptable limits. The results obtained from the proposed methods were statistically compared with official ones where no significant difference was observed. PMID:24589996

  19. Structure-Based Virtual Screening of Commercially Available Compound Libraries.

    Science.gov (United States)

    Kireev, Dmitri

    2016-01-01

    Virtual screening (VS) is an efficient hit-finding tool. Its distinctive strength is that it allows one to screen compound libraries that are not available in the lab. Moreover, structure-based (SB) VS also enables an understanding of how the hit compounds bind the protein target, thus laying ground work for the rational hit-to-lead progression. SBVS requires a very limited experimental effort and is particularly well suited for academic labs and small biotech companies that, unlike pharmaceutical companies, do not have physical access to quality small-molecule libraries. Here, we describe SBVS of commercial compound libraries for Mer kinase inhibitors. The screening protocol relies on the docking algorithm Glide complemented by a post-docking filter based on structural protein-ligand interaction fingerprints (SPLIF). PMID:27316988

  20. Synthesis of novel chiral compounds of purine and pyrimidine bases

    Institute of Scientific and Technical Information of China (English)

    汪毓海; 陈庆华

    1999-01-01

    The physiologically active groups such as purine and pyrimidine bases are introduced to the asymmetric ynthesis. The optically pure compounds bearing purine and pyrimidine bases (5a—5e) were prepared via the asymetric Michael addition reaction of purines and pyrimidines as Michael donators with the chiral source 5-(R)-[(1R, 2S, 5R)-menthyloxy]-2(5H)-furanone (3a), which was prepared from the natural chiral auxiliary (-)-menthol. The synthetic method was studied in detail and the new compounds were identified on the basis of their analytical data and spectroscopic data, such as [α]D20, IR, UV, 1H NMR, 13C NMR and MS. The absolute configuration of 5a was established by X-ray crystallography. The results provided an efficient synthetic route to chiral purines and pyrimidine analogues, and offered chiral sources for further research on the physiologically active compounds of chiral nucleotides.

  1. Investigation of a novel ternary electrolyte based on dimethyl sulfite and lithium difluoromono(oxalato)borate for lithium ion batteries

    Science.gov (United States)

    Chen, Renjie; Zhu, Lu; Wu, Feng; Li, Li; Zhang, Rong; Chen, Shi

    2014-01-01

    Lithium difluoromono(oxalato)borate (LiODFB) has been used as a novel lithium salt for battery in recent studies. In this study, a series of novel electrolytes has been prepared by adding 30 vol% dimethyl sulfite (DMS) or dimethyl carbonate (DMC) as co-solvent into an ethylene carbonate (EC)/ethyl methyl carbonate (EMC) + LiX mixture, in which the LiX could be LiClO4, LiODFB, LiBOB, LiTFSI, or LiCF3SO3. These ternary electrolytes have been investigated for use in lithium ion batteries. FT-IR spectroscopy analysis shows that characteristic functional groups (-CO3, -SO3) undergo red-shift or blue-shift with the addition of different lithium salts. The LiODFB-EC/EMC/DMS electrolyte exhibits high ionic conductivity, which is mainly because of the low melting point of DMS, and LiODFB possessing high solubility. The Li/MCMB cells containing this novel electrolyte exhibit high capacities, good cycling performance, and excellent rate performance. These performances are probably because both LiODFB and DMS can assist in the formation of SEI films by reductive decomposition. Additionally, the discharge capacity of Li/LiCoO2 half cell containing LiODFB-EC/EMC/DMS electrolyte is 130.9 mAh g-1 after 50 cycles, and it is very comparable with the standard-commercial electrolyte. The results show that this study produces a promising electrolyte candidate for lithium ion batteries.

  2. LOW PRESSURE MOCVD OF COPPER BASED COMPOUNDS FOR PHOTOVOLTAIC APPLICATIONS

    OpenAIRE

    Pilkington, R; Jones, P.; Ahmed, W.; Tomlinson, R.; Hill, A.; J. Smith; Nuttall, R.

    1991-01-01

    In recent years copper based compounds such as copper indium diselenide (CuInSe2, CIS) have emerged as the most promising candidates for high efficiency stable solar cells. To date research has been centred around the standard thin film deposition techniques i.e. evaporation, sputtering and electroplating. While these techniques give good films it has proved difficult to gain reproducible results. The production of devices based on CIS thin films has now progressed to a point where, to achiev...

  3. The ternary Goldbach problem

    OpenAIRE

    Helfgott, Harald Andrés

    2015-01-01

    The ternary Goldbach conjecture, or three-primes problem, states that every odd number $n$ greater than $5$ can be written as the sum of three primes. The conjecture, posed in 1742, remained unsolved until now, in spite of great progress in the twentieth century. In 2013 -- following a line of research pioneered and developed by Hardy, Littlewood and Vinogradov, among others -- the author proved the conjecture. In this, as in many other additive problems, what is at issue is really the proper...

  4. Synthesis and anticonvulsant activity of certain chalcone based pyrazoline compounds

    Directory of Open Access Journals (Sweden)

    Sudhakara Rao Gerapati

    2015-09-01

    Full Text Available Convulsions are involuntary, violent, spasmodic and prolonged contractions of skeletal muscles. That means a patient may have epilepsy without convulsions and vice versa. Epilepsy is a common neurological abnormality affecting about 1% of the world population. The primary objectives of these synthesized compounds are to suppress seizures and provide neuroprotection by minimizing the effects from seizure attacks. Here some of the chalcones and chalcone based various pyrazolines were evaluated for anticonvulsant activity. Their structures have been elucidated on the basis of elemental analyses and spectroscopic studies (IR, 1H-NMR & Mass spectroscopy. A preliminary evaluation of the prepared compounds has indicated that some of them exhibit moderate to significant anticonvulsant activity compared to a diazepam standard1-3.  All compounds were tested for their anticonvulsant activity using maximal electroshock induced convulsions (MES in mice at a dose level of 4 mg/kg.b.w. The compounds  Ph1, Ph2 , Py2 ,Py3 and Py4 have shown  to  good anticonvulsant activity when doses are administered as 25mg/ kg.b.w  , reduced the phases of seizures severity and  found to be active and also  increased survival rate. Remaining compounds are less efficacious.

  5. The superconductivity of certain ternary molybdenum compounds

    Science.gov (United States)

    Odermatt, R.

    1978-01-01

    The objectives of this work were to measure the superconductivity and critical fields of (Cu1.5Mo4.5), (SmMo5S6), and (Pb0.9Mo5.1S6) in order to reproduce the published results, and by introduction of magnetic impurities into these semiconductors, observe the compensation effect.

  6. Organic compounds based on selenium as a lipoperoxidation reduction agents

    International Nuclear Information System (INIS)

    Great effort has been made in order to protect healthy cells such as that surrounding a tumor site, when radiotherapy procedures take place. This work is focused on testing diphenyl diselenide (C6H5Se2C6H5) and ebselen (C13H9NOSe), two antioxidant selenium containing compounds in phospholipids extracted from chicken yolk eggs, in vitro, as a radiomodifiers. When ionizing radiation interacts with cells' membrane, important chemical reactions occur and a chain of damaging and self-propagating events takes place. It is important to design new protocols involving new substances that could be potentially able to reduce cell damage by irradiation with photons. These compounds should have a low photoelectric attenuation coefficient for that energy range of interest. Otherwise, they might be in the free radicals production process. Human body is full of water and a compound with water-like behavior is desirable. Therefore, these compounds witch have water-behavior related to the photoelectric interaction. Although the compounds show photoelectric absorption peaks for low energy, out of the energy region of interest (gamma rays from Co-60), the results have been showing that these selenium-based compounds could be an efficient chemical radiomodifier for helping radiation-based procedures. The experimental data set were measured with Thiobarbituric Acid Reactive Substance (TBARS) method and has shown decrease in lipoperoxidation (around 50% for both) as radiation dose grows up, related to a control group and for dose range up to 4 Gy. The range of dose was chosen in order to apply the results to a set of equations related to the excess risk cancer model from BEIR V. (author)

  7. Experimental study of ternary M-Zn-Se (M=W, Au, In, Ti) phase equilibria

    International Nuclear Information System (INIS)

    Ternary phase equilibria in the systems M-Zn-Se (M=W, Au, In, Ti) are studied by X-ray diffraction on samples annealed in silica capsules and quenched. Four isothermal phase diagram sections are presented and discussed. Only in the In-Zn-Se system a ternary compound is present (ZnIn2Se4). The metals W, Au and In are in equilibrium with the II-VI semiconductor ZnSe, whereas Ti and ZnSe are not in equilibrium. The particular feature of the large Zn-solubility in solid (Au) does not modify the (Au)-ZnSe equilibrium, in contrast to the related Au-Cd-Te system. Possible reactions at the metal/ZnSe interface in an open or closed environment are discussed based on the phase diagrams, and potential contact materials are indicated. (orig.)

  8. True ternary fission of 252Cf

    International Nuclear Information System (INIS)

    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 252Cf. In this work, the possibilities of different true ternary fission modes of 252Cf 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 A1 ≥ A2 ≥ A3 in order to avoid repetition of combinations. Due to this condition, the values of Z3 vary from 0 to 36 and Z2 vary from 16 to 51. Of the different pairs having similar (Z2, Z3) 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 A1+A2+A3. 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 Z3=2 labelled as (Z2; 2) indicating He accompanied breakup as the most favourable one. Of which, the breakup with Z2 around 46 to 48 is the least (shown by dashed (Z1 = 50) and dotted (Z1 = 52) lines indicating a constant Z1 value). The other notable minima in the PES are labelled and they correspond to the (Z2, Z3) 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 Z3=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 Z2=32, Z3=32 and Z1=34. The minimum potential energy path also goes through this true ternary mode. The PES calculation

  9. 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.

  10. Thermoelectric properties of iron-based superconductors and parent compounds

    Science.gov (United States)

    Pallecchi, Ilaria; Caglieris, Federico; Putti, Marina

    2016-07-01

    Herewith, we review the available experimental data of thermoelectric transport properties of iron-based superconductors and parent compounds. We discuss possible physical mechanisms into play in determining the Seebeck effect, from whence one can extract information about Fermi surface reconstruction and Lifshitz transitions, multiband character, coupling of charge carriers with spin excitations and its relevance in the unconventional superconducting pairing mechanism, nematicity, quantum critical fluctuations close to the optimal doping for superconductivity, correlation. Additional information is obtained from the analysis of the Nernst effect, whose enhancement in parent compounds must be related partially to multiband transport and low Fermi level, but mainly to the presence of Dirac cone bands at the Fermi level. In the superconducting compounds, large Nernst effect in the normal state is explained in terms of fluctuating precursors of the spin density wave state, while in the superconducting state it mirrors the usual vortex liquid dissipative regime. A comparison between the phenomenology of thermoelectric behavior of different families of iron-based superconductors and parent compounds allows to evidence the key differences and analogies, thus providing clues on the rich and complex physics of these fascinating unconventional superconductors.

  11. 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.

  12. Non-enzymatic glucose sensor based on Au nanoparticles decorated ternary Ni-Al layered double hydroxide/single-walled carbon nanotubes/graphene nanocomposite

    International Nuclear Information System (INIS)

    A novel highly sensitive non-enzymatic glucose sensor was constructed based on gold nanoparticles decorated ternary Ni-Al layered double hydroxide/single-walled carbon nanotubes/graphene nanocomposite (Au/LDH-CNTs-G). The materials were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, UV–vis diffuse reflectance spectra and Raman spectra, and the sensing performance was investigated by electrochemical impedance spectroscopy, cyclic voltammetry and amperometric response. The results revealed that Au/LDH-CNTs-G nanocomposite modified glassy carbon electrode exhibited remarkable electrocatalytic performance toward glucose oxidation, with a wide linear range from 10 μM to 6.1 mM, a high sensitivity of ∼1989 μA·mM−1·cm−2 and a low detection limit of 1.0 μM based on a signal to noise ratio of 3, which was mainly attributed to the combined effects of enhanced electrical conductivity originating from three-dimensional intertwined CNTs-graphene network, good accessibility to active reaction sites from NiAl-LDH and more electron transfer passages provided by Au nanoparticles highly dispersed on the surface. What's more, as-constructed non-enzymatic sensor showed good reproducibility, repeatability, stability and anti-interference property, and was also used to practically analyze glucose concentration in human serum samples

  13. Uniform deposition of ternary chalcogenide nanoparticles onto mesoporous TiO{sub 2} film using liquid carbon dioxide-based coating

    Energy Technology Data Exchange (ETDEWEB)

    Nursanto, Eduardus Budi [Clean Energy Research Center, Korea Institute of Science and Technology, Hwarangno 14-gil 5, Seongbuk-gu, Seoul 136–791 (Korea, Republic of); Department of Clean Energy and Chemical Engineering, Korea University of Science and Technology,217, Gajeong-ro, Yuseong-gu, Daejeon 305–333 (Korea, Republic of); Park, Se Jin [Clean Energy Research Center, Korea Institute of Science and Technology, Hwarangno 14-gil 5, Seongbuk-gu, Seoul 136–791 (Korea, Republic of); Jeon, Hyo Sang; Hwang, Yun Jeong [Clean Energy Research Center, Korea Institute of Science and Technology, Hwarangno 14-gil 5, Seongbuk-gu, Seoul 136–791 (Korea, Republic of); Department of Clean Energy and Chemical Engineering, Korea University of Science and Technology,217, Gajeong-ro, Yuseong-gu, Daejeon 305–333 (Korea, Republic of); Kim, Jaehoon, E-mail: jaehoonkim@skku.edu [School of Mechanical Engineering, Sungkyunkwan University, 2066, Seobu-Ro, Jangan-Gu, Suwon, GyeongGi-Do 440–746 (Korea, Republic of); SKKU Advanced Institute of Nano Technology (SAINT), 2066, Seobu-Ro, Jangan-Gu, Suwon, GyeongGi-Do 440–746 (Korea, Republic of); Min, Byoung Koun, E-mail: bkmin@kist.re.kr [Clean Energy Research Center, Korea Institute of Science and Technology, Hwarangno 14-gil 5, Seongbuk-gu, Seoul 136–791 (Korea, Republic of); Department of Clean Energy and Chemical Engineering, Korea University of Science and Technology,217, Gajeong-ro, Yuseong-gu, Daejeon 305–333 (Korea, Republic of); Green School, Korea University, 145,Anam-ro, Seongbuk-gu, Seoul 136–713 (Korea, Republic of)

    2014-08-28

    We report the simultaneous deposition of two different metal precursors dissolved in liquid carbon dioxide (l-CO{sub 2}), aiming to the synthesis of ternary chalcopyrite (e.g. CuInS{sub 2}) nanoparticles on a mesoporous TiO{sub 2} film. The l-CO{sub 2}-based deposition of Cu and In precursors and subsequent reaction with a dilute H{sub 2}S gas resulted in Cu{sub x}In{sub y}S{sub z} nanoparticles uniformly deposited across the entire thickness of a mesoporous TiO{sub 2} film. Further heat treatment (air annealing and sulfurization) led to the formation of more stoichiometric CuInS{sub 2} nanoparticles. The formation of CuInS{sub 2} on TiO{sub 2} was confirmed by scanning electron microscopy, high resolution transmission electron microscopy, X-ray diffraction, and Raman spectroscopy. The crystal growth of CuInS{sub 2} was also found to be controllable by adjusting the number of coating cycles of the l-CO{sub 2}-based deposition. - Highlights: • Simultaneous deposition of two different metal precursors dissolved in l-CO{sub 2}. • Uniform deposition of CuInS{sub 2} nanoparticles across mesoporous TiO{sub 2} film. • Highly crystalline CuInS{sub 2} formed on mesoporous TiO{sub 2} film. • Nearly stoichiometric ratio of Cu:In:S was obtained.

  14. Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems: Ab initio study

    Science.gov (United States)

    Govaerts, K.; Sluiter, M. H. F.; Partoens, B.; Lamoen, D.

    2014-02-01

    In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1-xQx (A =Sb, Bi; Q =Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 00.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T ≠0 K but with an ordered structure of alternating Bi and Sb layers for x =0.5 at T =0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3,Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.

  15. Compound Models for Vision-Based Pedestrian Recognition

    OpenAIRE

    Enzweiler, Markus

    2011-01-01

    This thesis addresses the problem of recognizing pedestrians in video images acquired from a moving camera in real-world cluttered environments. Instead of focusing on the development of novel feature primitives or pattern classifiers, we follow an orthogonal direction and develop feature- and classifier-independent compound techniques which integrate complementary information from multiple image-based sources with the objective of improved pedestrian classification performance. After establi...

  16. Investigations on Ce- and Yb-based intermetallic compounds

    International Nuclear Information System (INIS)

    The author describes investigations on a number of cerium- and ytterbium-based intermetallic compounds and alloys, yielding a lot of experimental results which could not always be put in a quantitative picture. All experimental data are consistent with a single-ion behaviour, where the 4f state is more or less modified by the conduction electrons. In the investigated systems several different features of the magnetism of cerium atoms in metals were studied. (Auth.)

  17. Synthesis and anticonvulsant activity of certain chalcone based pyrazoline compounds

    OpenAIRE

    Sudhakara Rao Gerapati; Kalaichelvan V K; Ganguri Sudhakara Rao

    2015-01-01

    Convulsions are involuntary, violent, spasmodic and prolonged contractions of skeletal muscles. That means a patient may have epilepsy without convulsions and vice versa. Epilepsy is a common neurological abnormality affecting about 1% of the world population. The primary objectives of these synthesized compounds are to suppress seizures and provide neuroprotection by minimizing the effects from seizure attacks. Here some of the chalcones and chalcone based various pyrazolines were evaluated ...

  18. Superior performance of highly flexible solid-state supercapacitor based on the ternary composites of graphene oxide supported poly(3,4-ethylenedioxythiophene)-carbon nanotubes

    Science.gov (United States)

    Zhou, Haihan; Zhai, Hua-Jin; Han, Gaoyi

    2016-08-01

    Ternary composite electrodes based on carbon nanotubes thin films (CNFs)-loaded graphene oxide (GO) supported poly(3,4-ethylenedioxythiophene)- carbon nanotubes (GO/PEDOT-CNTs) have been prepared via a facile one-step electrochemical codeposition method. The effect of long and short CNTs-incorporated composites (GO/PEDOT-lCNTs and GO/PEDOT-sCNTs) on the electrochemical behaviors of the electrodes is investigated and compared. Electrochemical measurements indicate that the incorporation of CNTs effectively improves the electrochemical performances of the GO/PEDOT electrodes. Long CNTs-incorporated GO/PEDOT-lCNTs electrodes have more superior electrochemical behaviors with respect to the short CNTs-incorporated GO/PEDOT-lCNTs electrodes, which can be attributed to the optimized composition and specific microstructures of the former. To verify the feasibility of the prepared composite electrodes for utilization as flexible supercapacitor, a solid-state supercapacitor using the CNFs-loaded GO/PEDOT-lCNTs electrodes is fabricated and tested. The device shows lightweight, ultrathin, and highly flexible features, which also has a high areal and volumetric specific capacitance (33.4 m F cm-2 at 10 mV s-1 and 2.7 F cm-3 at 0.042 A cm-3), superior rate capability, and excellent cycle stability (maintaining 97.5% for 5000 cycles). This highly flexible solid-state supercapacitor has great potential for applications in flexible electronics, roll-up display, and wearable devices.

  19. Extractive spectrophotometric determination of molybdenum in steels and nickel base high-temperature alloys as a ternary complex with hydroxylamine hydrochloride and 4-(2-pyridylazo) resorcinol

    International Nuclear Information System (INIS)

    The red coloured, ternary complex formed by molybdenum(VI) with hydroxylamine hydrchloride and 4-(2-pyridylazo) resorcinol (PAR), on heating for 20 minutes in a hot water bath at pH 6-8, can be extracted with a mixture of n-butanol and benzene (4:1). This complex exhibits absorption maximum at 530nm with a molar absorptivity of 2.8x104 lit. mol-1cm-1 and obeys Beer's law upto 4.5μg/ml of Mo(VI). The composition of the complex is found to be 1:1:1, for Mo(VI): hydroxylamine hydrochloride: PAR. Large amounts of tartaric acid and 2, 2-diamino-cyclohexane tetra acetic acid (CyDTA) can be tolerated in this method. The extraction becomes highly selective in presence of CyDTA (3ml of 5x10-2M) and interference of ions like Fe(III)(5mg), Pb(II)(4mg), Zn(II)(2mg), Cu(II)(4mg), Mn(II)(3mg), Ni(II)(4mg), Sn(II)(3mg), Cr(VI)(2mg) and Bi(III)(0.5mg) can be effectively supressed in the determination of 10-45μg of molybdenum. The method can be successfully applied for the determination of molybdenum in steels and nickel base high temperature alloys. (author). 2 tabs., 8 refs

  20. Electrical resistivity interpretation of ternary Cu–Ni–Mo alloys using a cluster-based short-range-order structural model

    International Nuclear Information System (INIS)

    The electrical resistivity of metallic alloys is known to be largely affected by chemical short-range ordering. In accordance with the cluster-plus-glue-atom model for solid solutions, the present paper interpreted the composition versus resistivity behavior of Cu–Ni–Mo ternary alloys. The presence of Mo-centered [Mo–Ni12] nearest-neighbor clusters is assumed, as the result of the negative enthalpy of mixing between Mo and Ni. The residual electrical resistivities are then correlated to the scattering from the [Mo–Ni12] clusters, plus that from extra Ni solutes in solution with Cu for Mo/Ni  <  1/12 or from Mo precipitates for Mo/Ni  >  1/12. Such a cluster-based mechanism explains perfectly the experimental resistivity data, with the additional resistivities from the cluster, Ni solute, and Mo precipitate being, respectively, 1.08, 1.21, and 0.09 (10–8 Ωm). The present work provides a simple method for the electrical resistivity manipulation of metallic alloys. (paper)

  1. Computer recognition of slag property diagrams in ternary systems

    Institute of Scientific and Technical Information of China (English)

    Jinxiong Lu; Li Wang; Jiongming Zhang; Xinhua Wang

    2004-01-01

    In order to take data information from the slag property diagram in a ternary system automatically and actually, a picture recognition and drawing software has been developed by Visual Basic 6.0 based on the image coding principle of computer system and the graphics programming method of VB. This software can transform the ternary system isopleth diagram from bitmap format to data file and establish a corresponding database which can be applied to rapidly retrieve a mass of data and make correlative thermodynamics or kinetics calculation. Besides, it still has the function of drawing the ternary system diagram which can draw different kinds of property parameters in the same diagram.

  2. Laves phases and new compounds based on magnesium for hydrogen storage application

    International Nuclear Information System (INIS)

    This work deals with the study of ternary compounds rare earth - magnesium - nickel used for hydrogen storage. All the compounds are prepared by fusion and by mechanical alloying method. The compounds YNi4-xAlxMg, derived from the cubic Laves phases have been studied in the first part. It reacts reversibly towards hydrogen at atmospheric pressure and room temperature. The structural behaviour during the hydrogen sorption has been studied by in situ XRD. The compound remains cubic with a decrease of the crystallinity. This study is completed by the study of compounds: (i) rich in rare earth (e.g. Gd4NiMg) that absorb hydrogen at room temperature but irreversibly. Structures of both the intermetallic and the hydride have been determined. The decomposition of the hydride at temperature higher than 90 C is also explained. (ii) rich in magnesium. A new compounds with a formulation closed to Mg77Gd9Ni14.5 has been identified and it crystallized with a cubic faces centred structure. (author)

  3. Novel dipodal Schiff base compounds: Synthesis, characterization and spectroscopic studies

    Science.gov (United States)

    Obali, Aslihan Yilmaz; Ucan, Halil Ismet

    2015-02-01

    Two novel dipodal Schiff base compounds 1,2-benzyloxy-bis-[2-(benzylideneamino)phenol, L1 and 1,2-benzyloxy-bis[3-(benzylideneamino)pyridine], L2 were synthesized. Their sensing actions were confirmed by UV-Vis absorbance and emission spectroscopic studies in presence of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Sn(II), Cd(II) and Pb(II) in methanol medium (1 × 10-4 M). It was found that the dipodal compounds can selectively bind to Cu(II) and Pb(II) metal ions with a significant change in its emission and absorption spectra, while the addition of other metal ions (Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Sn(II), Cd(II) and Pb(II)) produces insignificant or minor changes. The host-guest complexes formed were determined by Job's plot method. As a chemosensor, L1 and L2 dipodal Schiff base compounds shows a specific selectivity towards Cu(II) and Pb(II) ions in according to all spectroscopic data.

  4. DNA nanostructures based biosensor for the determination of aromatic compounds.

    Science.gov (United States)

    Gayathri, S Baby; Kamaraj, P; Arthanareeswari, M; Devikala, S

    2015-10-15

    Graphite electrode was modified using multi-walled carbon nanotubes (MWCNT), chitosan (CS), glutaraldehyde (GTA) and DNA nanostructures (nsDNA). DNA nanostructures of 50 nm in size were produced from single DNA template sequence using a simple two step procedure and were confirmed using TEM and AFM analysis. The modified electrode was applied to the electrochemical detection of aromatic compounds using EIS. The modified electrode was characterized using differential pulse voltammetry (DPV), electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV). For comparison, electrochemical results derived from single stranded (50 bp length) and double stranded (50 bp length) DNA based biosensors were used. The results indicate that the modified electrode prior to nsDNA immobilization provides a viable platform that effectively promotes electron transfer between nsDNA and the electrode. The mode of binding between the nsDNA and aromatic compounds was investigated using EIS, indicating that the dominant interaction is non-covalent. nsDNA based biosensor was observed to act as an efficient biosensor in selective and sensitive identification of aromatic compounds. PMID:25982727

  5. Alloying behavior of Ni3M-type GCP compounds

    International Nuclear Information System (INIS)

    The site preference of ternary additions in Ni3M-type GCP compounds was determined from the direction of solubility lobe of the GCP phase on the ternary phase diagram that have been experimentally reported. In Ni3Nb (D0a), Co and Cu preferred the substitution for Ni-site, Ti, V and W the substitution for Nb-site, and Fe the substitution for both sites. In Ni3V (D022), Co preferred the substitution for Ni-site, Cr the substitution for both sites, and Ti the substitution for V-site. In Ni3Ti (D024), Fe, Co, Cu, and Si preferred the substitution for Ni-site, Nb, Mo and V the substitution for Ti-site. The thermodynamic model, which was based on the change in total bonding energy of the host compound by a small addition of ternary solute, was applied to predict the site preference of ternary additions. The bond energy of each nearest neighbor pair used in the thermodynamic calculation was derived from the heat of compound formation by Miedema's formula. The agreement between the thermodynamic model and the result of the literature search was excellent. From both experimental and theoretical results, it was shown in three Ni3M-type GCP compounds that both transition and B-subgroup elements have two possibilities, i.e., the case of substitution for Ni-site or the case for M-site, depending on the relative value of two interaction energies.

  6. Survey of U-C-Ni ternary diagram

    International Nuclear Information System (INIS)

    U-C-Ni ternary diagram presents, in addition to the intermetallic compounds of U-Ni system and uranium carbides, two mixed carbides UC2Ni and U2C3Ni. The first carbide is decomposed from 1400 deg. C; the second is stable up to 1800 deg. C. (authors)

  7. Ternary transition metal phosphides: High-temperature superconductors

    OpenAIRE

    Barz, H.; Ku, H. C.; Meisner, G. P.; Fisk, Z.; Matthias, B. T.

    1980-01-01

    Two systems of ternary transition metal phosphides with the ordered Fe2P-type hexagonal structure are reported. They have the general formula MRuP and MOsP, in which M can be Ti, Zr, or Hf. An onset of the superconducting transition temperature as high as 13.0 K is reported for the ZrRuP compound.

  8. Irregular Homogeneity Domains in Ternary Intermetallic Systems

    OpenAIRE

    Jean-Marc Joubert; Mohamed Andasmas; Jean-Claude Crivello

    2015-01-01

    Ternary intermetallic A–B–C systems sometimes have unexpected behaviors. The present paper examines situations in which there is a tendency to simultaneously form the compounds ABx, ACx and BCx with the same crystal structure. This causes irregular shapes of the phase homogeneity domains and, from a structural point of view, a complete reversal of site occupancies for the B atom when crossing the homogeneity domain. This work reviews previous studies done in the systems Fe–Nb–Zr, Hf–Mo–Re, Hf...

  9. Magnetic structures of new uranium or rare earth based ternary stannides T{sub 2}M{sub 2}Sn (T = RE, U and M = Ni, Pd); Structures magnetiques de nouveaux stannures ternaires a base d'uranium ou de terres rares T{sub 2}M{sub 2}Sn (T=U, RE et M=Ni, Pd)

    Energy Technology Data Exchange (ETDEWEB)

    Laffargue, D

    1997-07-15

    Magnetic structures of new ternary stannides T{sub 2}M{sub 2}Sn (T = U, RE and M Ni, Pd) have been determined by powder neutron diffraction. A precise study of U{sub 2}M{sub 2}Sn (M = Ni, Pd) compounds showed several relations between structural and magnetic properties. The hybridization effects between 5f(U) and 3d(Ni) states is responsible for the weak magnetic moment observed on the uranium atoms in U{sub 2}Ni{sub 2}Sn, and explains why this stannide is close to a magnetic instability. In the system U{sub 2}Pd{sub 2+x}Sn{sub 1-x}, the reduction of the magnetic moment when the palladium composition increases shows the influence of 5f(U) - 4d(Pd) hybridization. In this solid solution, the evolution of the magnetic structure with the composition confirms an empirical law: the uranium magnetic moments are directed perpendicularly to the shortest U-U links. The extension of this study to the new Rare Earth based stannides RE{sub 2}Pd{sub 2,04}Sn{sub 0,96} (RE = Ce, Tb, Dy, Ho, Er) evidenced systematic correlations between complicated magnetic structures. All these compounds present two magnetic transitions, characterized first by a sine-wave modulation, then at lower temperatures by a commensurate magnetic structure. (author)

  10. Photoemission Electronic States and Correlation Energies of Magnetite Based Compounds

    International Nuclear Information System (INIS)

    The photoemission spectra (XPS/UPS) for iron oxides, stoichiometric magnetite and for selected Ti and Zn doped magnetite single crystals are presented. From the Fe-3s split lines the exchange energies for FeO, Fe2O3 and magnetite based samples were estimated. It was shown that Ti and Zn ions are of 4+ and 2+ valency, respectively. The correlation energies were estimated from the Fe2p3/2 core-level spectra and from the L3- M4,5, M4,5 Auger lines. The type of insulating gap in these compounds was discussed. (author)

  11. Study of fatigue and fracture behavior of NbCr{sub 2}-based alloys: Phase stability in Nb-Cr-Ni ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, J.H.; Liaw, P.K. [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering; Liu, C.T. [Oak Ridge National Lab., TN (United States). Metals and Ceramics Div.

    1997-12-01

    Phase stability in a ternary Nb-Cr-Ni Laves phase system was studied in this paper. Their previous study in NbCr{sub 2}-based transition-metal Laves phases has shown that the average electron concentration factor, e/a, is the dominating factor in controlling the phase stability of NbCr{sub 2}-based Laves phases when the atomic size ratios are kept identical. Since Ni has ten out-shell electrons, the substitution of Ni for Cr in NbCr{sub 2} will increase the average electron concentration of the alloy, thus leading to the change of the crystal structures from C15 to C14. In this paper, a number of pseudo-binary Nb(Cr,Ni){sub 2} alloys were prepared, and the crystal structures of the alloys after a long heat-treatment at 1000 C as a function of the Ni content were determined by the X-ray diffraction technique. The boundaries of the C15/C14 transition were determined and compared to their previous predictions. It was found that the electron concentration and phase stability correlation is obeyed in the Nb-Cr-Ni system. However, the e/a ratio corresponding to the C15/C14 phase transition was found to move to a higher value than the predicted one. The changes in the lattice constant, Vickers hardness and fracture toughness were also determined as a function of the Ni content, which were discussed in light of the phase stability difference of the alloys.

  12. Study of pressure induced polyamorphic transition in Ce-based ternary BMG using in situ x-ray scattering and electrical conductivity measurement

    Science.gov (United States)

    Chen, J.; Ma, C.; Tang, R.; Li, L.; Liu, H.; Gao, C.; Yang, W.

    2015-12-01

    In situ high energy x-ray scattering and electrical conductivity measurements on Ce70Al10Cu20 bulk metallic glass have been conducted using a diamond anvil cell (DAC) in conjunction with synchrotron x-rays or a laboratory electrical measurement system. The relative volumetric change (V/V0) as a function of pressure is inferred using the first sharp diffraction peak (FSDP) and the universal fractional noncubic power law[1]. The result indicates a pressure-induced polyamorphic transition at about 4 GPa in the ternary system. While the observed pressure of such polyamorphic transition in the Ce-base binary BMG is not very sensitive to its composition based on some of the previous studies[2, 3], this study indicates that such transition pressure increases considerably when a new component is added to the system. In the electrical conductivity measurement, a significant resistance change was observed in the pressure range coupled to polyamorphic transition. More discussions will be given regarding the electrical conductivity behavior of this system under high pressure to illustrate the delocalization of 4f electrons as the origin of the observed polyamorphic transition. References: 1. Zeng Q, Kono Y, Lin Y, Zeng Z, Wang J, Sinogeikin SV, Park C, Meng Y, Yang W, Mao H-K (2014) Universal fractional noncubic power law for density of metallic glasses. Physical Review Letters 112: 185502-185502 2. Zeng Q-S, Ding Y, Mao WL, Yang W, Sinogeikin SV, Shu J, Mao H-K, Jiang JZ (2010) Origin of pressure-induced polyamorphism in Ce75Al25 metallic glass. Physical Review Letters 104: 105702-105702 3. Sheng HW, Liu HZ, Cheng YQ, Wen J, Lee PL, Luo WK, Shastri SD, Ma E (2007) Polyamorphism in a metallic glass. Nature Materials DOI: 10.1038/nmat1839.

  13. Phase relation of Li{sub 2}O–CoO–P{sub 2}O{sub 5} ternary system and electrochemical behaviors of Co-base polyphosphates within this system

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Xinghao [School of Material Science and Engineering, South China University of Technology, Guangzhou, 510640 (China); Zhao, Yanming, E-mail: zhaoym@scut.edu.cn [State Key Laboratory of Luminescent Materials and Devices, South China University of Technology, Guangzhou, 510640 (China); School of Physics, South China University of Technology Guangzhou, 510640 (China); Liang, Zhiyong; Yan, Danlin; Liu, Xudong [School of Material Science and Engineering, South China University of Technology, Guangzhou, 510640 (China); Wen, Mingming; Dong, Youzhong; Kuang, Quan [School of Physics, South China University of Technology Guangzhou, 510640 (China)

    2015-10-15

    The subsolidus phase relations in the Li{sub 2}O–CoO–P{sub 2}O{sub 5} system have been systematically investigated by means of X-ray diffraction (XRD) pattern. The results have confirmed 6 binary compounds, 5 ternary compounds and 17 three-phase regions. In this system, the solid-state synthesized process (under Ar/H{sub 2} atmosphere) of LiCoPO{sub 4} using the Li{sub 2}CO{sub 3}, Co{sub 3}O{sub 4} and NH{sub 4}H{sub 2}PO{sub 4} as raw materials has been investigated. The result indicates that the single-phase LiCoPO{sub 4} compound can be formed stably within the temperature range between 350 °C and 700 °C, while several intermediate or decomposition compounds have been detected outside this sintering temperature range. The electrochemical properties of these pure-phase LiCoPO{sub 4} powders obtained at different temperature are compared by galvanostatic charge/discharge mode and at the meantime, we also demonstrated for the first time that Li{sub 6}Co{sub 5}(P{sub 2}O{sub 7}){sub 4} electrode is electrochemically active. - Highlights: • The phase diagram of Li{sub 2}O–CoO–P{sub 2}O{sub 5} ternary system has been determined by experimental method. • The solid-state synthesized process of LiCoPO{sub 4} has been investigated by ex-XRD and TG-DTA. • The electrochemical properties of LiCoPO{sub 4} obtained at different temperature are compared. • The electrochemically active of Li{sub 6}Co{sub 5}(P{sub 2}O{sub 7}){sub 4} electrode is demonstrated for the first time.

  14. Occupancy sites of constituent atoms and their effects on the martensitic transformations in some Cu-based and Ti-Ni-based ternary alloys

    International Nuclear Information System (INIS)

    Atomic configurations in β phase Cu-Al-Ni, Cu-Au-Zn and Cu-Zn-Al ternary alloys before and after martensitic transformations, and occupancy sites of third elements X in the B2 parent lattice of Ti-Ni-X ternary alloys, where X = 3d elements, Pd and Au, have been investigated by means of an electron channeling enhanced microanalysis method, called ALCHEMI. Large increases in Ms and As temperatures by several tens of K or more observed in the β phase alloys upon aging at ambient temperatures are attributed to ordering in the parent phase and to disordering in the martensite phase, respectively, both taking place between certain atoms occupying specific sites. The occupancy sites of third elements X in Ti-Ni-X alloys have been systematically examined, changing compositions in the following formulae: Ti0.5-xNi0.5Xx, Ti0.5-x/2Ni0.5-x/2Xx and Ti0.5Ni0.5-xXx, where x ≤ 0.05. While Fe, Co and Pd atoms occupy the Ni site preferentially, Sc atoms occupy the Ti site irrespective of composition, and the others the Ni and/or Ti site, depending on composition. These results for the Ti-Ni-X alloys are reasonably explained by a parameter D, which is defined by D = VTiX-VNiX/VTiNi, where Vij is pairwise interaction between i and j atoms. Decreases in Ms temperature for the B2→B19' martensitic transformation are discussed in terms of an average number of valence electrons at the specific sites in the parent lattice. (orig.)

  15. Structural and magnetic study of thin films based on anisotropic ternary alloys FeNiPt{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Montsouka, R.V.P. [IPCMS-GEMME, CNRS UMR 7504, 23 rue du Loess, 67037 Strasbourg Cedex (France); Arabski, J. [IPCMS-GEMME, CNRS UMR 7504, 23 rue du Loess, 67037 Strasbourg Cedex (France); Derory, A. [IPCMS-GEMME, CNRS UMR 7504, 23 rue du Loess, 67037 Strasbourg Cedex (France); Faerber, J. [IPCMS-GEMME, CNRS UMR 7504, 23 rue du Loess, 67037 Strasbourg Cedex (France); Schmerber, G. [IPCMS-GEMME, CNRS UMR 7504, 23 rue du Loess, 67037 Strasbourg Cedex (France); Pierron-Bohnes, V. [IPCMS-GEMME, CNRS UMR 7504, 23 rue du Loess, 67037 Strasbourg Cedex (France)]. E-mail: vero@ipcms.u-strasbg.fr

    2006-01-25

    L1 ordered (Fe-Ni){sub 5}Pt{sub 5} alloy films with perpendicular magnetic anisotropy were successfully prepared by interdiffusing FePt(0 0 1) and NiPt(0 0 1) layers co-deposited on MgO(0 0 1) substrates by MBE. The [0 0 1] growth direction corresponds to the epitaxy of the alloy on the substrate and is the interesting growth orientation to get a perpendicular magnetization. The X-ray diffraction shows a high L1 chemical order (S = 0.7 {+-} 0.1). The easy magnetization direction is perpendicular for all samples. The MFM images display highly interconnected stripes corresponding to up and down orientations of the magnetization. Large uniaxial magnetic anisotropy (K {sub u} 9.10{sup 5} J/m{sup 3}) and suitable magnetic transition temperature (T {sub C} = 400 K) are obtained. The addition of Ni changes the spin-orbit interaction in the FePt compound system, hence causes a decrease of anisotropy, saturation magnetization and coercivity.

  16. Experimental determination of phase equilibria in the Co–V–Mo ternary system

    International Nuclear Information System (INIS)

    Highlights: ► Four isothermal sections of the Co–V–Mo system were experimentally determined. ► The solubility of Mo in the σ-Co2V3 phase increases with an increase in temperature region from 800 to 1200 °C. ► A large region of (V, Mo) continuous bcc solid solution was determined. -- Abstract: The phase equilibria in the Co–V–Mo ternary system were investigated by means of optical microscopy, electron probe microanalyzer and X-ray diffraction. Four isothermal sections of the Co–V–Mo ternary system at 800, 1000, 1100 and 1200 °C were experimentally established, and no ternary compound was found in this system. Experimental results show that the solubility of Mo in the σ-Co2V3 phase increases with an increase in temperature region from 800 to 1200 °C. The newly determined phase equilibria in this system will provide important information for the development of Co-based alloys

  17. Positron annihilation lifetime study of interfaces in ternary polymer blends

    Science.gov (United States)

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

    2013-06-01

    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 (αij) 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, αeff, was introduced to predict the overall miscibility of ternary blends.

  18. Kinetic study of lithium-cadmium ternary amalgam decomposition

    International Nuclear Information System (INIS)

    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)

  19. Ternary Chaotic Pulse Compression Sequences

    Directory of Open Access Journals (Sweden)

    J. B. Seventline

    2010-09-01

    Full Text Available In this paper method available for generating ternary sequences is discussed. These sequences are useful in many applications but specifically in synchronization of block codes and pulse compression in radar. The ternary sequences are derived from chaotic maps. It is feasible to achieve simultaneously superior performances in detection range and range resolution using the proposed ternary sequences. The properties of these sequences like autocorrelation function, Peak Side Lobe Ratio (PSLR, ambiguity diagram and performance under AWGN noise background has been studied. The generation of these sequences is much simpler, and the available number of sequences is virtually infinite and not limited by the length of the sequence.

  20. Investigations on ternary B-C-N materials

    Institute of Scientific and Technical Information of China (English)

    HE Ju-long; LIU Zhong-yuan; YU Dong-li; XU Bo; TIAN Yong-jun

    2007-01-01

    Isoelectronic BCxN compounds have been researched widelv.However,electron-deficient boron-rich B-C-N solids have also attracted much interest both theoretically and experimentally.In this paper,we introduce the synthesis,theoretical prediction,and physical properties of crystalline ternary B-C-N compounds.Our recent work reveals that the novel B-C-N materialS may have a wide variety of crystal structures with different characteristics.

  1. New Layered Ternary Transition-Metal Tellurides

    Science.gov (United States)

    Mar, Arthur

    Several new ternary transition-metal tellurides, a class of compounds hitherto largely unexplored, have been synthesized and characterized. These are layered materials whose structures have been determined by single -crystal X-ray diffraction methods. The successful preparation of the compound TaPtTe_5 was crucial in developing an understanding of the MM'Te_5 (M = Nb, Ta; M' = Ni, Pd, Pt) series of compounds, which adopt either of two possible closely-related layered structures. Interestingly, the compound TaPdTe _5 remains unknown. Instead, the compound Ta_4Pd_3Te _{16} has been prepared. Its structure is closely related to that of the previously prepared compound Ta_3Pd _3Te_{14}. The physical properties of these compounds have been measured and correlated with the metal substitutions and interlayer separations. A new series of compounds, MM'Te _4 (M = Nb, Ta; M' = Ru, Os, Rh, Ir), has been discovered. The structure of NbIrTe_4 serves as a prototype: it is an ordered variant of the binary telluride WTe_2. Electronic band-structure calculations have been performed in order to rationalize the trends in metal-metal and tellurium -tellurium bonding observed in WTe_2 and the MM'Te_4 phases. Extension of these studies to include main-group metals has resulted in the synthesis of the new layered ternary germanium tellurides TiGeTe_6, ZrGeTe_4 , and HfGeTe_4. Because germanium can behave ambiguously in its role as a metalloid element, it serves as an anion by capping the metal-centered trigonal prisms and also as a cation in being coordinated in turn by other tellurium atoms in a trigonal pyramidal fashion. Structural relationships among these compounds are illustrated through the use of bicapped trigonal prisms and trigonal pyramids as the basic structural building blocks. The electrical and magnetic properties of these compounds have been measured. Insight into the unusual bonding and physical properties of these germanium-containing compounds has been gained through

  2. Joining of SiC ceramic-based materials with ternary carbide Ti3SiC2

    International Nuclear Information System (INIS)

    The joining of two pieces of SiC-based ceramic materials (SiC or Cf/SiC composite) was conducted using Ti3SiC2 as filler in vacuum in the joining temperatures range from 1200 deg. C to 1600 deg. C. The similar chemical reactions took place at the interface between Ti3SiC2 and SiC or Cf/SiC, and became more complete with joining temperature increases, and with the consequent increased joining strengths of the SiC and Cf/SiC joints. Based on the XRD and SEM analyses, it turns out that two reasons are most important for the high joining strengths of the SiC and Cf/SiC joints. One is the development of layered Ti3SiC2 ceramic, which has plasticity in nature and can contribute to thermal stress relaxation of the joints; the other is the chemical reactions between Ti3SiC2 and the base materials which result in good interface bonding.

  3. Mechanical and electronic properties of antiperovskite Ti-based compounds AXTi{sub 3} (X = C, N): A first-principles investigation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ni-Na; Lu, Hong-Yan, E-mail: luhongyan2006@gmail.com [School of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Shao, Ding-Fu, E-mail: dfshao@issp.ac.cn; Lu, Wen-Jian [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

    2016-01-28

    In this paper, we systematically studied the mechanical and electronic properties of a series of antiperovskite-type Ti-based ternary carbides and nitrides AXTi{sub 3} (A = Ba, Ca, In, Sn, Sr, Zn, Cu, Al, Ga, Cd, and La; X = C, N) from first-principles calculations. By calculating the formation energies, elastic constants, and other mechanical parameters, we predicted that 7 carbides ACTi{sub 3} and 7 nitrides ANTi{sub 3} compounds are stable among the 22 compounds. The predicted large Young's modulus and high hardness imply a good mechanical application prospect of AXTi{sub 3}. Particularly, SnNTi{sub 3} was found to show ferromagnetic ground state. For the electronic structure, our results confirm that the compounds are metallic in nature, and the density of states near the Fermi energy is predominately contributed by Ti-3d states. The effect of A- and X-site atom doping on AXTi{sub 3} can be evaluated by rigid band approximation. Our prediction will be useful for the experimental exploration of the new antiperovskite compounds.

  4. Mechanical and electronic properties of antiperovskite Ti-based compounds AXTi3 (X = C, N): A first-principles investigation

    International Nuclear Information System (INIS)

    In this paper, we systematically studied the mechanical and electronic properties of a series of antiperovskite-type Ti-based ternary carbides and nitrides AXTi3 (A = Ba, Ca, In, Sn, Sr, Zn, Cu, Al, Ga, Cd, and La; X = C, N) from first-principles calculations. By calculating the formation energies, elastic constants, and other mechanical parameters, we predicted that 7 carbides ACTi3 and 7 nitrides ANTi3 compounds are stable among the 22 compounds. The predicted large Young's modulus and high hardness imply a good mechanical application prospect of AXTi3. Particularly, SnNTi3 was found to show ferromagnetic ground state. For the electronic structure, our results confirm that the compounds are metallic in nature, and the density of states near the Fermi energy is predominately contributed by Ti-3d states. The effect of A- and X-site atom doping on AXTi3 can be evaluated by rigid band approximation. Our prediction will be useful for the experimental exploration of the new antiperovskite compounds

  5. Formation of coke precursors from pyrene-based model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Alshareef, Ali H.; Gray, Murray R. [Department of Chemical and Materials Engineering, University of Alberta (Canada)], email: murray.gray@ualberta.ca; Azyat, Khalid [Department of Chemistry, University of Alberta (Canada); Tykwinski, Rik [Friedrich-Alexander-Universitat (Germany)

    2010-07-01

    This work highlights understanding the thermal behavior and coking mechanism of pyrene-based model compounds. Microcarbon residue (MCR) was estimated for a thermally cracked model compound (Py-m-Phenyl-Py) using a thermal gravimetric analyzer (TGA). Nevertheless, when the coke produced by this process was analyzed it revealed insignificant information; hence, microreactor experiments were implemented to better analyze residual structures. Py-m-Phenyl-Py was converted with 30% and a mass spectrometry was performed on high molecular weight products, whereas, low molecular cracked weight products were analyzed using GC-MS. It was shown that the products obtained from this process matched those obtained by free-radical cracking. Moreover, MALDI-TOF analysis was used to reveal the addition product, and a spectrum of products was generated. It was shown that most of these products were yielded from the same species. It was believed that cyclization might be characterized by the dehydrogenation of the addition products, and coke precursors were generated due to olefin formation and radical additions.

  6. An approach to accidents modeling based on compounds road environments.

    Science.gov (United States)

    Fernandes, Ana; Neves, Jose

    2013-04-01

    The most common approach to study the influence of certain road features on accidents has been the consideration of uniform road segments characterized by a unique feature. However, when an accident is related to the road infrastructure, its cause is usually not a single characteristic but rather a complex combination of several characteristics. The main objective of this paper is to describe a methodology developed in order to consider the road as a complete environment by using compound road environments, overcoming the limitations inherented in considering only uniform road segments. The methodology consists of: dividing a sample of roads into segments; grouping them into quite homogeneous road environments using cluster analysis; and identifying the influence of skid resistance and texture depth on road accidents in each environment by using generalized linear models. The application of this methodology is demonstrated for eight roads. Based on real data from accidents and road characteristics, three compound road environments were established where the pavement surface properties significantly influence the occurrence of accidents. Results have showed clearly that road environments where braking maneuvers are more common or those with small radii of curvature and high speeds require higher skid resistance and texture depth as an important contribution to the accident prevention. PMID:23376544

  7. Thermal stability, mechanical and corrosion behaviour of niobium-based coatings in the ternary system Nb-O-N

    International Nuclear Information System (INIS)

    The influence of oxygen in the system Nb-O-N on properties like thermal, mechanical, corrosion and degradation behaviour was studied with respect to the O/N ratio in the films prepared by reactive magnetron sputtering. With increasing O/N ratio the hardness, the Young's Modulus and the residual stress strongly decreased. Furthermore the friction coefficient decreased in pin-on-disk tests against a 100Cr6 ball and was lowest for NbON coatings with medium oxygen content. The thermal stability in vacuum was excellent for the coatings up to 800 oC except for coatings with an O/N ratio of ≥ 12.8. These high oxygen-containing coatings crystallised at about 600 oC. The corrosion resistance of the Nb-based coatings in NaCl-containing media strongly improved with increasing O/N ratio, presumably due to the amorphous structure of the oxygen-containing coatings.

  8. Materials Chemistry and Performance of Silicone-Based Replicating Compounds.

    Energy Technology Data Exchange (ETDEWEB)

    Brumbach, Michael T.; Mirabal, Alex James; Kalan, Michael; Trujillo, Ana B; Hale, Kevin

    2014-11-01

    Replicating compounds are used to cast reproductions of surface features on a variety of materials. Replicas allow for quantitative measurements and recordkeeping on parts that may otherwise be difficult to measure or maintain. In this study, the chemistry and replicating capability of several replicating compounds was investigated. Additionally, the residue remaining on material surfaces upon removal of replicas was quantified. Cleaning practices were tested for several different replicating compounds. For all replicating compounds investigated, a thin silicone residue was left by the replica. For some compounds, additional inorganic species could be identified in the residue. Simple solvent cleaning could remove some residue.

  9. Phase equilibrium measurements of ternary systems formed by linoleic and linolenic acids in carbon dioxide/ethanol mixtures

    International Nuclear Information System (INIS)

    This work reports phase equilibrium measurements for the ternary systems linoleic (acid + CO2 + ethanol) and (linolenic acid + CO2 + ethanol). The fatty acids present in the ternary systems were selected based on composition of banana peel oil extracted by supercritical CO2 at 20 MPa and 313 K. The motivation of this research relies on the fact that these unsaturated fatty acids are recognized to play an important role in lowering blood pressure and serum cholesterol and because they are present in high concentrations in banana peel extract. Besides that, equilibrium data of these compounds are scarce in literature. The phase equilibrium experiments were performed using a high-pressure variable-volume view cell over the temperature range of (303 to 343) K and pressures up to 19 MPa. For both systems, only vapour-liquid phase transitions were visually recorded for all data measured.

  10. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids

    Directory of Open Access Journals (Sweden)

    Ritesh Dubey

    2015-07-01

    Full Text Available The crystallization of 28 binary and ternary cocrystals of quercetin with dibasic coformers is analyzed in terms of a combinatorial selection from a solution of preferred molecular conformations and supramolecular synthons. The crystal structures are characterized by distinctive O—H...N and O—H...O based synthons and are classified as nonporous, porous and helical. Variability in molecular conformation and synthon structure led to an increase in the energetic and structural space around the crystallization event. This space is the crystal structure landscape of the compound and is explored by fine-tuning the experimental conditions of crystallization. In the landscape context, we develop a strategy for the isolation of ternary cocrystals with the use of auxiliary template molecules to reduce the molecular and supramolecular `confusion' that is inherent in a molecule like quercetin. The absence of concomitant polymorphism in this study highlights the selectivity in conformation and synthon choice from the virtual combinatorial library in solution.

  11. Transition metal NaMF3 compounds as model systems for studying the feasibility of ternary Li-M-F and Na-M-F single phases as cathodes for lithium–ion and sodium–ion batteries

    International Nuclear Information System (INIS)

    The high electronegativity of fluorine suggests that fluorides may enable cathode materials for lithium–ion and sodium–ion batteries with higher voltage profiles for insertion or larger capacities for conversion. Iron has traditionally been studied as a redox center in fluorine-based cathodes, but the other metals have rarely been investigated. We demonstrate that the NaMF3 series (M = Mn, Fe, Co, Ni, Cu) offers a convenient means to compare the feasibility of the first row transition metals employed as fluorine-based cathodes for sodium–ion and lithium–ion batteries. NaFeF3 was found to be the only electrochemically active compound, which is able to undergo reversible Na+ reinsertion. This is ascribed to: (i) the chemical nature of the charged state FeF3 which is the only fluorine acceptor and chemically the most stable compound among the other MF3 and (ii) the existence of two FeF3 polymorphs with closer structural resemblance to the parent NaFeF3, which may contribute to the rigidity of the parent NaFeF3 structure during desodiation

  12. Mg-based compounds for hydrogen and energy storage

    Science.gov (United States)

    Crivello, J.-C.; Denys, R. V.; Dornheim, M.; Felderhoff, M.; Grant, D. M.; Huot, J.; Jensen, T. R.; de Jongh, P.; Latroche, M.; Walker, G. S.; Webb, C. J.; Yartys, V. A.

    2016-02-01

    Magnesium-based alloys attract significant interest as cost-efficient hydrogen storage materials allowing the combination of high gravimetric storage capacity of hydrogen with fast rates of hydrogen uptake and release and pronounced destabilization of the metal-hydrogen bonding in comparison with binary Mg-H systems. In this review, various groups of magnesium compounds are considered, including (1) RE-Mg-Ni hydrides (RE = La, Pr, Nd); (2) Mg alloys with p-elements (X = Si, Ge, Sn, and Al); and (3) magnesium alloys with d-elements (Ti, Fe, Co, Ni, Cu, Zn, Pd). The hydrogenation-disproportionation-desorption-recombination process in the Mg-based alloys (LaMg12, LaMg11Ni) and unusually high-pressure hydrides synthesized at pressures exceeding 100 MPa (MgNi2H3) and stabilized by Ni-H bonding are also discussed. The paper reviews interrelations between the properties of the Mg-based hydrides and p- T conditions of the metal-hydrogen interactions, chemical composition of the initial alloys, their crystal structures, and microstructural state.

  13. Ternary fission of 466, 476 184X formed in U + U collisions

    Science.gov (United States)

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

    2016-06-01

    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 466, 476 184X formed in low-energy U + U collisions for different heavy third fragments at T = 1 and 2MeV. The expected ternary configurations 208 Pb + 208 Pb + 50 Ca and 204 Hg + 204 Hg + 58 Cr are obtained from the ternary fission of 466 184X 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.

  14. Stimulation of Ideas through Compound-Based Bibliometrics: Counting and Mapping Chemical Compounds for Analyzing Research Topics in Chemistry, Physics, and Materials Science

    OpenAIRE

    Barth, Andreas; Marx, Werner

    2012-01-01

    Counting compounds (rather than papers or citations) offers a new perspective for quantitative analyses of research activities. First of all, we can precisely define (compound-related) research topics and access the corresponding publications (scientific papers as well as patents) as a measure of research activity. We can also establish the time evolution of the publications dealing with specific compounds or compound classes. Moreover, the mapping of compounds by establishing compound-based ...

  15. Predicting carcinogenicity of organic compounds based on CPDB.

    Science.gov (United States)

    Wu, Xiuchao; Zhang, Qingzhu; Wang, Hui; Hu, Jingtian

    2015-11-01

    Cancer is a major killer of human health and predictions for the carcinogenicity of chemicals are of great importance. In this article, predictive models for the carcinogenicity of organic compounds using QSAR methods for rats and mice were developed based on the data from CPDB. The models was developed based on the data of specific target site liver and classified according to sex of rats and mice. Meanwhile, models were also classified according to whether there is a ring in the molecular structure in order to reduce the diversity of molecular structure. Therefore, eight local models were developed in the final. Taking into account the complexity of carcinogenesis and in order to obtain as much information, DRAGON descriptors were selected as the variables used to develop models. Fitting ability, robustness and predictive power of the models were assessed according to the OECD principles. The external predictive coefficients for validation sets of each model were in the range of 0.711-0.906, and for the whole data in each model were all greater than 0.8, which represents that all models have good predictivity. In order to study the mechanism of carcinogenesis, standardized regression coefficients were calculated for all predictor variables. In addition, the effect of animal sex on carcinogenesis was compared and a trend that female showed stronger tolerance for cancerogen than male in both species was appeared. PMID:26070146

  16. Ternary arsenides based on platinum–indium and palladium–indium fragments of the Cu{sub 3}Au-type: Crystal structures and chemical bonding

    Energy Technology Data Exchange (ETDEWEB)

    Zakharova, Elena Yu.; Andreeva, Natalia A.; Kazakov, Sergey M. [Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1-3, GSP-1, 119991 Moscow (Russian Federation); Kuznetsov, Alexey N., E-mail: alexei@inorg.chem.msu.ru [Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1-3, GSP-1, 119991 Moscow (Russian Federation); N.S. Kurnakov Institute of General and Inorganic Chemistry of Russian Academy of Sciences, Leninskii pr. 31, 119991 Moscow (Russian Federation)

    2015-02-05

    Highlights: • Three metal-rich platinum–indium and palladium–indium arsenides were synthesized. • Their crystal structures were determined from powder XRD. • Electronic structures and bonding were studied using DFT/FP-LAPW calculations. • Multi-centered Pt–In or Pd–In bonding was revealed using ELF and ELI-D analysis. • Extra pairwise Pt–Pt interactions are observed only for Pt-based compounds. - Abstract: Three metal-rich palladium–indium and platinum–indium arsenides, Pd{sub 5}InAs, Pt{sub 5}InAs, and Pt{sub 8}In{sub 2}As, were synthesized using a high-temperature ampoule technique. Their crystal structures were determined from Rietveld analysis of powder diffraction data. All the compounds crystallize in tetragonal system with P4/mmm space group (Pd{sub 5}InAs: a = 3.9874(1) Å, c = 6.9848(2) Å, Z = 1, R{sub p} = 0.053; R{sub b} = 0.013; Pt{sub 5}InAs: a = 3.9981(2) Å, c = 7.0597(4) Å, Z = 1, R{sub p} = 0.058, R{sub b} = 0.016; Pt{sub 8}In{sub 2}As: a = 3.9872(3) Å, c = 11.1129(7) Å, Z = 1, R{sub p} = 0.047; R{sub b} = 0.014). The first two compounds belong to the Pd{sub 5}TlAs structure type, while the third one is isotypic with the recently discovered Pd{sub 8}In{sub 2}Se. Main structural units in all arsenides are indium-centered [TM{sub 12}In] cuboctahedra (TM = Pd, Pt) of the Cu{sub 3}Au type, single- and double-stacked along the c axis in TM{sub 5}InAs and Pt{sub 8}In{sub 2}As, respectively, alternating with [TM{sub 8}As] rectangular prisms. DFT electronic structure calculations predict all three compounds to be 3D metallic conductors and Pauli-like paramagnets. According to the bonding analysis based on the electron localization function and electron localizability indicator topologies, all compounds feature multi-centered interactions between transition metal and indium in their heterometallic fragments. Additionally, pairwise interactions between platinum atoms are also observed, indicating a somewhat more localized bonding

  17. Anticancer agent-based marine natural products and related compounds.

    Science.gov (United States)

    Chen, Jian-Wei; Wu, Qi-Hao; Rowley, David C; Al-Kareef, Ammar M Q; Wang, Hong

    2015-01-01

    Marine natural products constitute a huge reservoir of anticancer agents. Consequently during the past decades, several marine anticancer compounds have been isolated, identified, and approved for anticancer treatment or are under trials. In this article the sources, structure, bioactivities, mode of actions, and analogs of some promising marine and derived anticancer compounds have been discussed. PMID:25559315

  18. The ternary system Tm-Ni-In at 870 K

    International Nuclear Information System (INIS)

    The isothermal section of the Tm-Ni-In system at T = 870 K was constructed. Nine ternary compounds: Tm10Ni9In20, TmNi1-0.60In1-1.40, Tm2Ni2In, Tm2Ni1.78In, Tm5Ni2In4, Tm11Ni4In9, Tm4.83Ni2In1.17, Tm6Ni2In and Tm14Ni3In3 exist in the system at the temperature of investigation. Solid solutions with In/Ni and Tm/In mixing were noticed for numerous compounds. A broad substitution of Ni for In was observed for TmNi1-0.60In1-1.40, and of Tm for In for the TmNi2-TmNi4In section. An interstitial solid solution TmxNiIn, based on binary equiatomic NiIn, extends up to 8 at.% Tm (x = 0.17). The magnetic properties of TmNiIn, Tm2Ni2In and Tm5Ni2In4 are also reviewed.

  19. Transformations and phase relations in Nb-Ti-Si ternary system at 1373~1473K

    Institute of Scientific and Technical Information of China (English)

    王日初; 柳春雷; 金展鹏

    2002-01-01

    The isothermal sections of the Nb-Ti-Si ternary system at 1473K and 1373K were determined by means of diffusion triple technique and electron microprobe analysis. By analyzing the diffusion layers in the diffusion couples, the titanium silicides and niobium silicides forming in this system were identified. The results show that no ternary compounds formed in the Nb-Ti-Si ternary system at the test temperatures. The phase transformations occurring on cooling from 1473K to 1373K were discussed.

  20. Irregular Homogeneity Domains in Ternary Intermetallic Systems

    Directory of Open Access Journals (Sweden)

    Jean-Marc Joubert

    2015-12-01

    Full Text Available Ternary intermetallic A–B–C systems sometimes have unexpected behaviors. The present paper examines situations in which there is a tendency to simultaneously form the compounds ABx, ACx and BCx with the same crystal structure. This causes irregular shapes of the phase homogeneity domains and, from a structural point of view, a complete reversal of site occupancies for the B atom when crossing the homogeneity domain. This work reviews previous studies done in the systems Fe–Nb–Zr, Hf–Mo–Re, Hf–Re–W, Mo–Re–Zr, Re–W–Zr, Cr–Mn–Si, Cr–Mo–Re, and Mo–Ni–Re, and involving the topologically close-packed Laves, χ and σ phases. These systems have been studied using ternary isothermal section determination, DFT calculations, site occupancy measurement using joint X-ray, and neutron diffraction Rietveld refinement. Conclusions are drawn concerning this phenomenon. The paper also reports new experimental or calculated data on Co–Cr–Re and Fe–Nb–Zr systems.

  1. Acaricidal activity of eugenol based compounds against scabies mites.

    Directory of Open Access Journals (Sweden)

    Cielo Pasay

    Full Text Available BACKGROUND: Human scabies is a debilitating skin disease caused by the "itch mite" Sarcoptes scabiei. Ordinary scabies is commonly treated with topical creams such as permethrin, while crusted scabies is treated with topical creams in combination with oral ivermectin. Recent reports of acaricide tolerance in scabies endemic communities in Northern Australia have prompted efforts to better understand resistance mechanisms and to identify potential new acaricides. In this study, we screened three essential oils and four pure compounds based on eugenol for acaricidal properties. METHODOLOGY/PRINCIPAL FINDINGS: Contact bioassays were performed using live permethrin-sensitive S. scabiei var suis mites harvested from pigs and permethrin-resistant S. scabiei var canis mites harvested from rabbits. Results of bioassays showed that clove oil was highly toxic against scabies mites. Nutmeg oil had moderate toxicity and ylang ylang oil was the least toxic. Eugenol, a major component of clove oil and its analogues--acetyleugenol and isoeugenol, demonstrated levels of toxicity comparable to benzyl benzoate, the positive control acaricide, killing mites within an hour of contact. CONCLUSIONS: The acaricidal properties demonstrated by eugenol and its analogues show promise as leads for future development of alternative topical acaricides to treat scabies.

  2. Magnetic structures of new ternary uranium and rare earths stannides T{sub 2}M{sub 2}Sn (T=U, RE and M=Ni, Pd); Structures magnetiques de nouveaux stannures ternaires a base d`uranium ou de terres rares T{sub 2}M{sub 2}Sn (T=U, RE et M =Ni, Pd)

    Energy Technology Data Exchange (ETDEWEB)

    Laffargue, D

    1997-07-11

    Magnetic structures of new ternary stannides T{sub 2}M{sub 2}Sn (T = U, RE and M Ni, Pd) have been determined by powder neutron diffraction. A precise study of U{sub 2}M{sub 2}Sn (M = Ni, Pd) compounds showed several relations between structural and magnetic properties. The hybridization effects between 5f(U) and 3d(Ni) states is responsible for the weak magnetic moment observed on the uranium atoms in U{sub 2}Ni{sub 2}Sn, and explains why this stannide is close to a magnetic instability. In the system U{sub 2}Pd{sub 2+x}Sn{sub t-x}, the reduction of the magnetic moment when the palladium composition increases shows the influence of 5f(U) - 4d(Pd) hybridization. In this solid solution, the evolution of the magnetic structure with the composition confirms an empirical law: the uranium magnetic moments are directed perpendicularly to the shortest U-U links. The extension of this study to the new Rare based stannides RE{sub 2}Pd{sub 2,04}Sn{sub 0,96} (RE = Ce, Tb, Dy, Ho, Er) evidenced systematic correlations between complicated magnetic structures. All these compounds present two magnetic transitions, characterized first by a sine-wave modulation, then at lower temperatures by a commensurate magnetic structure. (author) 78 refs.

  3. Thermophotovoltaic converters on indium arsenide-based compounds

    Science.gov (United States)

    Gevorkyan, V. A.; Aroutiounian, V. M.; Gambaryan, K. M.; Arakelyan, A. O.; Andreev, I. A.; Golubev, L. V.; Yakovlev, Yu. P.

    2007-03-01

    Thermophotovoltaic converters based on multicomponent solid solutions of III V compounds, specifically, InAsSbP/InAs heterostructures ( E g = 0.35 0.60 eV), that are intended for fabricating IR emitters heated to 1000 2000°C are studied. The use of such narrow-gap heterostructures makes it possible to advance the sensitivity of the elements into the long-wave range and utilize the thermal energy of low-temperature sources more efficiently. Fresh physical approaches to fabricating epitaxial quaternary InAs-based InAsSbP solid solutions with a low carrier concentration and heterostructures with sharp interfaces are presented. Quaternary InAsSbP solid solutions and other related heterostructures offer a number of advantages, such as the possibility of growing perfect structures lattice-matched with the substrate, stress-free interfaces, good electrical and photoelectrical properties (low dark currents and a high external quantum efficiency), and the possibility of flexibly controlling the energy gap by varying the composition of the solid solution. It is shown that InAsSbP films grown on an InAs substrate by liquid-phase epitaxy from supercooled liquid solution and liquid-phase electro-epitaxy with replenishment of liquid solution by growing layer components are uniform in composition and have a perfect crystal structure. Thermophotovolatic p-InAsSbP/ n-InAs diode-type heterostructures obtained by the above methods are found to have saturation dark currents close to theoretically predicted values and a wide range of spectral sensitivity, which makes them candidates for thermophotovoltaic elements.

  4. Compounds in dictionary-based Cross-language information retrieval_revised

    Directory of Open Access Journals (Sweden)

    2002-01-01

    Full Text Available Compound words form an important part of natural language. From the cross-lingual information retrieval (CLIR point of view it is important that many natural languages are highly productive with compounds, and translation resources cannot include entries for all compounds. Also, compounds are often content bearing words in a sentence. In Swedish, German and Finnish roughly one tenth of the words in a text prepared for information retrieval purposes are compounds. Important research questions concerning compound handling in dictionary-based cross-language information retrieval are 1 compound splitting into components, 2 normalisation of components, 3 translation of components and 4 query structuring for compounds and their components in the target language. The impact of compound processing on the performance of the cross-language information retrieval process is evaluated in this study and the results indicate that the effect is clearly positive.

  5. Thin-film ternary superconductors

    International Nuclear Information System (INIS)

    Physical properties and preparation methods of thin film ternary superconductors, (mainly molybdenum chalcogenides) are reviewed. Properties discussed include the superconducting critical fields and critical currents, resistivity and the Hall effect. Experimental results at low temperatures, together with electron microscopy data are used to determine magnetic flux pinning mechanisms in films. Flux pinning results, together with an empirical model for pinning, are used to get estimates for possible applications of thin film ternary superconductors where high current densities are needed in the presence of high magnetic fields. The normal state experimental data is used to derive several Fermi surface parameters, e.g. the Fermi velocity and the effective Fermi surface area. (orig.)

  6. Experimental and thermodynamic study of the Er-H-Zr ternary system

    International Nuclear Information System (INIS)

    This work at CEA is being achieved in the framework of the development of an innovating concept including the neutronic solid burnable poison, such as erbium, inside the cladding of pressurized water reactors. These new claddings are constituted by a liner of a zirconium base alloy slightly enriched in erbium between two liners of industrial zirconium alloys. Into the reactor core, the water dissociates at the surface of the cladding. So it is interesting to evaluate the interactions between the hydrogen released and the Zr-Er alloy. To do so, the Er-H-Zr ternary system has to be determined such similarly to its associated binaries. This can be done by experimental determination and by thermodynamic modelling. Both techniques were used in this work. Er-Zr and H-Zr have already been studied experimentally and modelled, but the Er-H binary system is almost unknown. So, we studied it experimentally. Then, it has been modelled using the Calphad method. We obtain a new evaluation of the Er-H binary system with phases limits rather different than what has been proposed in the literature. In order to determine the phase limits and, the potential existence of a ternary compound in the Er-H-Zr ternary system, an experimental study has been carried out. An original technique has been used to obtain the chemical compositions: ERDA combined with RBS. In this study, we propose a new isothermal section at 350 C of the Er-H-Zr ternary system. About the modelling, the compatibility of the three modelled binaries has been checked in order to optimize the ternary system by the projection of the three binaries. The calculation obtained is in good agreement with the experimental isothermal section at 350 C determined in our work. Finally, uniaxial tensile test campaigns have been conducted to evaluate the impact of erbium and/or hydrogen on the mechanical properties of an industrial zirconium pure alloy. We evidenced a hardening effect of erbium and hydrogen but these effects are not

  7. Synthesis and characterization of (Ni1-xCox)Se2 based ternary selenides as electrocatalyst for triiodide reduction in dye-sensitized solar cells

    Science.gov (United States)

    Theerthagiri, J.; Senthil, R. A.; Buraidah, M. H.; Raghavender, M.; Madhavan, J.; Arof, A. K.

    2016-06-01

    Ternary metal selenides of (Ni1-xCox)Se2 with 0≤x≤1 were synthesized by using one-step hydrothermal reduction route. The synthesized metal selenides were utilized as an efficient, low-cost platinum free counter electrode for dye-sensitized solar cells. The cyclic voltammetry and electrochemical impedance spectroscopy studies revealed that the Ni0.5Co0.5Se2 counter electrode exhibited higher electrocatalytic activity and lower charge transfer resistance at the counter electrode/electrolyte interface than the other compositions for reduction of triiodide to iodide. Ternary selenides of Ni0.5Co0.5Se2 offer a synergistic effect to the electrocatalytic activity for the reduction of triiodide that might be due to an increase in active catalytic sites and small charge transfer resistance. The DSSC with Ni0.5Co0.5Se2 counter electrode achieved a high power conversion efficiency of 6.02%, which is comparable with that of conventional platinum counter electrode (6.11%). This present investigation demonstrates the potential application of Ni0.5Co0.5Se2 as counter electrode in dye-sensitized solar cells.

  8. Isothermal section of the Ni-Mn-In ternary system at 773 K

    Energy Technology Data Exchange (ETDEWEB)

    Ao, W.Q. [College of Materials Science and Engineering, Shenzhen University, Shenzhen Key Laboratory of Special Functional Materials and Shenzhen Engineering Laboratory for Advanced Technology of Ceramics, Shenzhen 518060 (China); State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Liu, F.S.; Li, J.Q. [College of Materials Science and Engineering, Shenzhen University, Shenzhen Key Laboratory of Special Functional Materials and Shenzhen Engineering Laboratory for Advanced Technology of Ceramics, Shenzhen 518060 (China); Du, Y. [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Liu, F.L. [College of Materials Science and Engineering, Shenzhen University, Shenzhen Key Laboratory of Special Functional Materials and Shenzhen Engineering Laboratory for Advanced Technology of Ceramics, Shenzhen 518060 (China)

    2015-02-15

    Highlights: • The isothermal section of the Ni-Mn-In ternary system at 773 K was determined. • XRD, EPMA techniques were used. • 13 single-phase, 27 two-phase and 14 three-phase regions were obtained. • 7 binary compounds and 2 ternary compounds were confirmed. • The homogeneity ranges of the ternary compounds T1 and T2 were determined. - Abstract: The isothermal section of the Ni-Mn-In ternary system at 773 K was investigated and constructed using X-ray diffraction (XRD), and electron probe microanalysis (EPMA) techniques. The existence of 7 binary compounds and 2 ternary compounds was confirmed in the isothermal section. The six binary compounds Ni{sub 2}In{sub 3} (Ni{sub 2}Al{sub 3}-type structure, space group P3{sup ¯}m1), NiIn (CoSn-type structure, space group P6/mmc), Ni{sub 13}In{sub 9} (Ni{sub 13}Ga{sub 9}-type structure, space group C2/m), Ni{sub 2}In (Co{sub 1.75}Ge-type structure, space group P6{sub 3}/mmc), Ni{sub 3}In (Mg{sub 3}Cd-type structure, space group P6{sub 3}/mmc) and Mn{sub 3}In (Al{sub 4}Cu{sub 9}-type structure, space group P4{sup ¯}3m) in the sub-binary systems Ni-In and Mn-In are stoichiometric compounds, the homogeneity ranges of which are negligible. While the five single phase regions in the Ni-Mn binary system show a more or less homogeneity ranges formed by replacement of Mn for Ni. The homogeneity ranges of the ternary compounds T1 (Ni{sub 2}MnIn) and T2 (Mn{sub 3}Ni{sub 2}In) at 773 K were determined.

  9. Elevated temperature corrosion behavior of iron-base ternary alloys that develop Cr/sub 2/O/sub 3/ and/or Al/sub 2/O/sub 3/ barrier scales

    Energy Technology Data Exchange (ETDEWEB)

    Nagarajan, V.; Levy, A.V.

    1978-05-01

    The elevated temperature corrosion behavior of iron-base ternary alloys that develop Cr/sub 2/O/sub 3/ and/or Al/sub 2/O/sub 3/ barrier scales was investigated by exposing them to a mixed gas environment at 982/sup 0/C whose PO/sub 2/ was approximately 10/sup -18/ atm and whose PS/sub 2/ was approximately 10/sup -6/ atm. The alloys containing 18% Cr and 2.5 to 5% Al had the best corrosion resistance of the alloys tested. They developed a duplex Cr/sub 2/O/sub 3//Al/sub 2/O/sub 3/ scale through which sulfur did not readily diffuse. The 18% Cr alloy containing only 1% Al formed a Cr/sub 2/O/sub 3/ scale and had poor corrosion resistance because of rapid sulfur diffusion through the scale. Alloys that contained 10% Al and 0 to 15% Cr did not have good corrosion resistance because of sulfur diffusion through the single Al/sub 2/O/sub 3/ scale which formed. Alloys with 18% Cr that contained Si as a ternary addition did not develop continuous SiO/sub 2/ layers beneath the Cr/sub 2/O/sub 3/ outer scale and exhibited poor corrosion resistance.

  10. Microstructural characterization and phase transformation of ternary alloys near at Al{sub 3}Ti compound; Caracterizacion microestructural y transformaciones de fase de aleaciones ternareas cercanas al compuesto Al{sub 3}Ti

    Energy Technology Data Exchange (ETDEWEB)

    Angeles Ch, C. [Instituto Nacional de Investigaciones Nucleares. Depto.de Sintesis y Caracterizacion de Materiales. Carretera Mexico-Toluca Km. 36.5 C.P. 52045, Ocoyoacac, Edo. de Mexico (Mexico)

    1999-07-01

    This research work is related with the structural characteristic and compositional values of the crystalline phases, which are found in ternary alloys of Ti-Al-Fe and TI-Al-Cu. These types of alloys were obtained using a rapid solidification technique (10{sup 3}-10{sup 4} K/s) and pure elements such as Al, Ti, Fe and Cu (99.99%). These cooling velocities allow the formation of stable phases and small grain sizes (approximately in range of a few micras). The obtained results indicate the presence of Al{sub 3}Ti and others phases of L1{sub 2} type. These phases are commonly found in a matrix rich in A1. The microalloyed elements (Cu and Fe) substitute the aluminum in both kinds of phases. Alloys with low content of Cu show transition states from the tetragonal structure DO{sub 22} to the cubic phases L1{sub 2}. The structural characteristics of the alloys are related with some microhardness measurement. The results show that the presence of the L1{sub 2} phase tends to increase to hardness depending of the content of this phase.

  11. Modified embedded-atom method interatomic potentials for pure Y and the V–Pd–Y ternary system

    International Nuclear Information System (INIS)

    Interatomic potentials for pure Y and the V–Pd–Y ternary system have been developed on the basis of the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism, with a purpose of investigating the interdiffusion mechanism and the role of yttrium in the palladium-coated vanadium-based hydrogen separation membranes. The potentials can describe various fundamental physical properties of pure Y (the bulk, defect and thermal properties) and the alloy behaviors (structural, thermodynamic and defect properties of solid solutions and compounds) of constituent systems in reasonable agreement with experimental data or first-principles calculations. (paper)

  12. Growing high-quality ternary CdMnTe epilayers by molecular beam epitaxy on Si substrates and its mechanism

    International Nuclear Information System (INIS)

    Cd(Mn,Zn)Te-based ternary compound semiconductors with wide band-gaps are important in the detection of radiation and photovoltaic applications. This study characterizes Cd1-xMnxTe epilayers on Si substrates with various Mn compositions grown by molecular beam epitaxy. The surface smoothness, crystallinity and optical quality all are significantly improved with increasing Mn content. The Cd0.61Mn0.39Te epilayer with a thickness of only about 500 nm yields a full width at half maximum of the X-ray rocking curve of 165 arcsec. Photoluminescence spectra at 10 K show that the intensity of defect-related emissions is much lower than that of binary CdTe epilayers, reaching zero from the samples with high Mn content, while the integral intensity of the exciton-related emissions is increased by more than two orders of magnitude. Raman scattering spectra reveal that the intensity of the Te–Te related defect vibration modes falls significantly as the Mn content increase, even disappearing altogether in the samples with high Mn content. This work proposes that incorporating Mn atoms during epitaxial growth can promote the decomposition of Te2 sources, owing to the high sticking coefficient of Mn and the high cohesive energy of the Mn–Te bond, and then reduce the number of Te–Te related stacking fault defects, yielding high-quality CdMnTe epilayers. Our results herein demonstrate that the CdMnTe ternary epilayers are much more promising in terms of material quality than the CdZnTe ternary epilayers. - Highlights: • High-quality ternary CdMnTe were grown on Si substrates by molecular beam epitaxy. • The material qualities were significantly improved with increasing Mn content. • The Te–Te related defects were greatly reduced with increasing Mn content. • We report an enhanced growth of CdTe-based epilayers by the incorporation of Mn atoms

  13. Inquiry-Based Instruction of Compound Microscopy Using Simulated Paleobiogeography

    Science.gov (United States)

    Hodgson, Jay Y. S.; Mateer, Scott C.

    2015-01-01

    The compound microscope is an important tool in biology, and mastering it requires repetition. Unfortunately, introductory activities for students can be formulaic, and consequently, students are often unengaged and fail to develop the required experience to become proficient in microscopy. To engage students, increase repetition, and develop…

  14. Microstructural investigation on a Ni-Ta-Al ternary Alloys

    International Nuclear Information System (INIS)

    Full text: The nickel-based alloys are used in various fields such as marine industry, the nuclear industry, aerospace and aviation for their good resistance to creep and thermal fatigue at high temperatures. [1 DJERDJAR,ABDI: 2006 2008,]. This metallic alloys family is characterized by a relatively low density and their good mechanical properties. They have the peculiarity of having by precipitation, in the Ni rich corner, hardening and ordered phases (g') type Ni3X (X: Al, Ti, Ta, Nb etc) within the matrix (g) that can induce an increase in their yield strength with temperature giving them excellent mechanical properties at high temperature (650-1150 degree Celsius) (2: superalloys ATI). The Ni-Al-Ta ternary alloys Nickel rich presents complex microstructures. They are composed of multiple phases that are formed according to the nominal composition of the alloy, primary Ni (γ) Ni3Al (γ'), Ni6AlTa (τ3), Ni3Ta (δ) or balances: two solid phases (γ' τ3), (τ3-δ), (τ3-γ), (γ-δ) or three solid phases (γ'-τ3-δ). These local balances generate a variety of phases of different crystalline structures. The nature and the volume fraction of these phases give these alloys very interesting properties at high temperature, and this makes them attractive for specific applications. We have developed a series of ternary alloys in electric arc furnace, solidified in ATD, characterized by SEM-EDS, X-ray diffraction and by a micro hardness. According to The results, correlation have been made between the nature of the formed phases and the solidifying way into the system Ni (75 %)-Al (x %)-Ta (y %), which are varied and complex. In addition to the solid solution (γ), the intermetallic compounds (γ', τ3 and δ) trained were identified and correlated with the complex balance between phases. This approach is achieved by combining information with additional characterization techniques. We show that the hardness increases with the Tantalum which has a hardening effect and

  15. Thermodynamic description of Au-Ag-Si ternary system

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Based on the available experimental information, the Ag-Si binary system was thermodynamically assessed using the CALPHAD method. The solution phases, including liquid, fcc-Al and diamond-A4, were modeled as substitutional solutions, of which the excess Gibbs energies were expressed by Redlich-Kister polynomial functions. Combined with previous assessment of the Ag-Au and Au-Si binary systems, thermodynamic description of the Au-Ag-Si ternary system was performed to reproduce the reported phase equilibria. Thermodynamic properties of liquid alloys, liquidus projection and several vertical and isothermal sections of this ternary system were calculated, which are in reasonable agreement with the reported experimental data.

  16. Particular features of ternary fission induced by polarized neutrons in the major actinides U,235233 and Pu,241239

    Science.gov (United States)

    Gagarski, A.; Gönnenwein, F.; Guseva, I.; Jesinger, P.; Kopatch, Yu.; Kuzmina, T.; Lelièvre-Berna, E.; Mutterer, M.; Nesvizhevsky, V.; Petrov, G.; Soldner, T.; Tiourine, G.; Trzaska, W. H.; Zavarukhina, T.

    2016-05-01

    Ternary fission in (n ,f ) reactions was studied with polarized neutrons for the isotopes U,235233 and Pu,241239. A cold longitudinally polarized neutron beam was available at the High Flux Reactor of the Institut Laue-Langevin in Grenoble, France. The beam was hitting the fissile targets mounted at the center of a reaction chamber. Detectors for fission fragments and ternary particles were installed in a plane perpendicular to the beam. In earlier work it was discovered that the angular correlations between neutron spin and the momenta of fragments and ternary particles were very different for 233U or 235U. These correlations could now be shown to be simultaneously present in all of the above major actinides though with different weights. For one of the correlations it was observed that up to scission the compound nucleus is rotating with the axis of rotation parallel to the neutron beam polarization. Entrained by the fragments also the trajectories of ternary particles are turned away albeit by a smaller angle. The difference in turning angles becomes observable upon reversing the sense of rotation by flipping neutron spin. All turning angles are smaller than 1∘. The phenomenon was called the ROT effect. As a distinct second phenomenon it was found that for fission induced by polarized neutrons an asymmetry in the emission probability of ternary particles relative to a plane formed by fragment momentum and neutron spin appears. The asymmetry is attributed to the Coriolis force present in the nucleus while it is rotating up to scission. The size of the asymmetry is typically 10-3. This asymmetry was termed the TRI effect. The interpretation of both effects is based on the transition state model. Both effects are shown to be steered by the properties of the collective (J ,K ) transition states which are specific for any of the reactions studied. The study of asymmetries of ternary particle emission in fission induced by slow polarized neutrons provides a new

  17. Effect of different solvents on the performance of ternary polymer solar cells based on PTB7 : PC71BM : F8BT

    International Nuclear Information System (INIS)

    The effect of different solvents on the active layer morphologies and PTB7 : PC71BM : F8BT ternary polymer solar cells (PSCs) performance were systemically investigated by applying various solvents, including chlorobenzene (CB), 1, 4-dichlorobenze (DCB), p-xylene (XY), and mixtures of chlorobenzene and 1, 8-diiodooctane (DIO). The optimized photovoltaic performance increased 5% compared with the reference binary PTB7 : PC71BM (1 : 1.5) PSCs. The performance improvement was mainly attributed to the improved quality of donor-acceptor interfaces cast from a proper solvent, as well as the fuller coverage of the solar radiation spectrum provided by the blend film. By analyzing the variation of PSCs performance and the morphology of active layers, we found that the proper solvent and the additive were playing an important role on better charge transfer efficiency and more balanced charge separation. (paper)

  18. Synthesis and photophysical studies of tetrazolate-based Eu(III) photoluminescent ternary complexes containing N-heterocyclic phosphine oxides auxiliary co-ligands.

    Science.gov (United States)

    Mal, Suraj; Pietraszkiewicz, Marek; Pietraszkiewicz, Oksana

    2016-08-01

    Two new ternary tetrazolate Eu(III) complexes with phosphine oxide co-ligands Eu(PTO)3 ·(P1/P2) [PTO = 5-(2-pyridyl-1-oxide)tetrazole, P1 = diphenylphosphorylamino-phenylphosphoryl-benzene, P2 = diphenylphosphorylpyridine)-bis-isobutyricphosphoryl] were synthesized and characterized using UV, fluorescence, IR and (1) H NMR spectroscopic techniques. The analytical data prove that the complexes are mononuclear in nature and the central Eu(III) ion is coordinated by three N and three O atoms of tetrazolate, and two O atoms of the corresponding bidentate phosphine oxide ligands. The ancillary ligand increased the photoluminescence efficiency of Eu(PTO)3 ·P1 (complex 3) by twofold compared with our previously reported Eu(PTO)3 complex (complex 1). Copyright © 2015 John Wiley & Sons, Ltd. PMID:26679054

  19. Electrochemical Fabrication and Characterization of Corrosion-Resistant, Ternary, Lead-Based Alloys as a New Material for Steel Surface Protection

    Science.gov (United States)

    Aliyev, A. Sh.; Tahirli, H. M.; Elrouby, Mahmoud; Soltanova, N. Sh.; Tagiev, D. B.

    2016-06-01

    This article presents the study of the synthesis of the ternary Pb-Sb-Te alloy on the stainless steel substrate via electrochemical method. The corrosion resistance of the electrodeposited alloy has been investigated via subjecting the electro-synthesized alloy to a corrosive medium containing sulfide ions; this medium is similar to the petroleum refining environment. The resulting film of the electrodeposited alloy was analyzed by the scanning electron microscope, energy-dispersive X-ray analysis, and X-ray diffraction to determine the morphology and the phase structure of the electrodeposited film. It was found that the electrodeposited Pb-Sb-Te alloy thin film is a multiphase composition. The obtained data reveal that the most corrosion-resistant phase is the PbSb2Te4 alloy.

  20. Chemical bonding and electronic structure of fullerene-based compounds

    International Nuclear Information System (INIS)

    This talk will focus on the nature of bonding of fullerenes with other materials as demonstrated by synchrotron radiation and x-ray photoemission. Adsorption of C60 on metallic and semiconducting substrates occurs via charge transfer from the substrate to a LUMO-derived resonance, resulting in Fermi level alignment and dipole formation. Bonding of metal atoms to C60 depends on the metal work function and bulk cohesive energy. Evaporation of high cohesive energy materials onto a fullerene substrate results in metal cluster nucleation and limited C60 disruption for transition metals. Low cohesive energy metals form compounds with a degree of ionic character related to the metal work function. Photoemission results show the formation of ionic K-fulleride compounds while greater hybridization is observed for Ca-rich fullerides. Finally the electronic structure of fluorinated and hydrogenated fullerenes demonstrate changes in states derived from C60 π bonds due to reaction of dangling bonds

  1. Synthesis, characterization, and antitumor activity of three ternary dinuclear copper (II) complexes with a reduced Schiff base ligand and diimine coligands in vitro and in vivo.

    Science.gov (United States)

    Jia, Lei; Xu, Jun; Zhao, Xiaolei; Shen, Shanshan; Zhou, Tao; Xu, Zhouqing; Zhu, Taofeng; Chen, Ruhua; Ma, Tieliang; Xie, Jing; Dong, Kun; Huang, Jiancui

    2016-06-01

    Three ternary copper (II) complexes containing 1,10-phenanthroline (phen, 1), dipyrido[3,2-d:2',3'-f]quinoxaline (dpq, 2) and dipyrido[3,2-a:2',3'-c]phenazine (dppz, 3), with the formulation [Cu2(NCL)2(H4PASP)]·4.5H2O (1-3) (where NCL=the diimine coligand, H4PASP=N,N'-(p-xylylene)di-2-aminosuccinic acid), were isolated and characterized. The binding of these complexes with calf thymus DNA was studied using UV-visible absorption titration, emission, and circular dichroism spectroscopy, among other methods. The changes in physicochemical properties that occurred upon binding of these complexes with DNA indicate that binding occurs primarily through intercalative interactions. Human tumor cell lines HeLa, PC3, and HepG2 were treated with the copper(II) complexes in vitro and cell survival rate was assessed by 3-(4,5-dimethyl thiazol-2yl)-2,5-diphenyltetrazolium bromide (MTT) assay and crystal violet survival assay. Flow cytometry was performed on treated cells labeled with AnnexinV/Propidium Iodide staining to determine rates of apoptosis. Western blot was performed to determine the expression levels of the apoptotic markers p53, Bax, and Bcl-2. The complexes reduced cell viability and induced apoptosis in cells of human tumor cell lines in a dose-dependent manner. In addition, using a nude mouse xenograft model, we found that the three ternary copper (II) complexes inhibited human tumor cell growth in vivo. In conclusion, these novel synthetic copper complexes have profound antitumor effects on human tumor cells and are promising therapeutic agents for human tumors. PMID:26974885

  2. Thermodynamic optimization and phase equilibria in the ternary system Ni–Sn–Zn

    International Nuclear Information System (INIS)

    Highlights: • Thermodynamic description of the Ni–Sn–Zn system was obtained. • Six isothermal sections were calculated. • Third constituents solubility in binary phases’ extensions were taken into account. • Good correlation between calculated and experimental data was obtained. - Abstract: Recent experimental results obtained by differential scanning calorimetry, Scanning Electron Microscopy and other methods were used to develop a thermodynamic description of the ternary system Ni–Sn–Zn. Four ternary non-stoichiometric compounds (T1–T4), mentioned in the literature, were described using three-sublattice models. Previously known optimizations of the binary subsystems were remodeled to comply with the new experimental data. The solubility of the respective ternary components, i.e., Zn in Ni–Sn phases and Sn in Ni–Zn phases, were taken into account and optimized ternary parameters were derived. Six isothermal sections were calculated using Thermo-Calc software

  3. Metallic Ternary Telluride with Sphalerite Superstructure.

    Science.gov (United States)

    Adhikary, Amit; Mohapatra, Sudip; Lee, Seng Huat; Hor, Yew San; Adhikari, Puja; Ching, Wai-Yim; Choudhury, Amitava

    2016-03-01

    A new ternary compound with composition Cu5Sn2Te7 has been synthesized using the stoichiometric reaction of Cu, Sn, and Te. The compound crystallizes in C2 space group with unit cell parameters of a = 13.549(2) Å, b = 6.0521(11) Å, c = 9.568(2) Å, and β = 98.121(2)°. Cu5Sn2Te7 is a superstructure of sphalerite and exhibits tetrahedral coordination of Cu, Sn, and Te atoms, containing a unique adamantane-like arrangement. The compound is formally mixed valent with a high electrical conductivity of 9.8 × 10(5) S m(-1) at 300 K and exhibits metallic behavior having p-type charge carriers as indicated from the positive Seebeck coefficient. Hall effect measurements further confirm holes as charge carriers with a carrier density of 1.39 × 10(21) cm(-3) and Hall mobility of 4.5 cm(2) V(-1) s(-1) at 300 K. The electronic band structure calculations indicate the presence of a finite density of states around the Fermi level and agree well with the p-type metallic conductivity. Band structure analysis suggests that the effective mass of the hole state is small and could be responsible for high electronic conductivity and Hall mobility. The high thermal conductivity of 15.1 W m(-1) K(-1) at 300 K coupled with the low Seebeck coefficient results in a poor thermoelectric figure of merit (ZT) for this compound. Theoretical calculations indicate that if Cu5Sn2Te7 is turned into a valence precise compound by substituting one Cu by a Zn, a semiconducting material, Cu4ZnSn2Te7, with a direct band gap of ∼0.5 eV can be obtained. PMID:26890202

  4. Towards large-scale production of solution-processed organic tandem modules based on ternary composites: Design of the intermediate layer, device optimization and laser based module processing

    DEFF Research Database (Denmark)

    Li, Ning; Kubis, Peter; Forberich, Karen; Ameri, Tayebeh; Krebs, Frederik C; Brabec, Christoph J.

    commercially available materials, which enhances the absorption of poly(3-hexylthiophene) (P3HT) and as a result increase the PCE of the P3HT-based large-scale OPV devices; 3. laser-based module processing, which provides an excellent processing resolution and as a result can bring the power conversion...

  5. Low-energy ternary fission

    International Nuclear Information System (INIS)

    With the detector system DIOGENES thermal neutron induced and spontaneous α particle associated fission and spontaneous nuclear tripartition into three fragments of similar masses has been investigated. DIOGENES is a concentric arrangement of toroidal angular position sensitive ionization chambers and proportional counters to measure the kinetic energies and relative angular distributions of the three reaction products of ternary fission. For α-particle accompanied fission some of the many possible α particle fission-fragment parameter correlations will be discussed. For nearly symmetric low-energy nuclear tripartition new upper limits are presented. Former experimental results which pretended evidence for so called true ternary fission could be explained by charged-particle associated fission with a light particle in the mass range of 13 < A < 23

  6. The ternary iron aluminum carbides

    International Nuclear Information System (INIS)

    Research highlights: → Carbides present in ternary Fe-Al-C were investigated. → Presence of carbides Fe3C, M23C6, and/or κ-Fe3AlC depends on the Al and C concentration. → The existence of M23C6 ternary carbide in the Fe-Al-C system is recognized for first time. → Solubility of Al in M23C6 is low and negligible in the cementite. - Abstract: Carbides present in ternary Fe-Al-C were investigated by the combined utilization of an X-ray diffractometer and a scanning electron microscope equipped with an energy dispersive X-ray spectrometer. The alloys were prepared by arc melting and the microstructure was homogenised by a solution annealing treatment in the temperature range 950-1050 deg. C for 15 min. The diffraction patterns of resulting materials were analysed using a multiphase Rietveld refinement. The steel is composed of a ferritic matrix with carbides Fe3C, M23C6, and/or κ-Fe3AlC depending on the Al and C concentration. It is the first time that the existence of M23C6 ternary carbide in the Fe-Al-C system is recognized. Microprobe analyses performed revealed that the solubility of Al in M23C6 is low, with an Fe/Al ratio (in at.%) higher than 15. On the other hand, the amount of Al in the cementite is negligible and hence its lattice parameters do not depend on the Al concentration of the alloy.

  7. Phase stability in the ternary Re–W–Zr system

    International Nuclear Information System (INIS)

    Graphical abstract: Display Omitted - Abstract: The irregular shape of the χ phase in the ternary system Re–W–Zr has been investigated. Both experimental measurements (joint Rietveld refinement of neutron and X-ray diffraction data) and density functional theory (DFT) calculations were used in order to obtain the site occupancies and to determine the reason why this phase is so deeply stabilized in the ternary system. In particular, the DFT calculations of all the system compounds allowed us to assess the relative phase stability and to reproduce well the experimental phase diagram isothermal section without any adjustable parameter, including the C14-to-C15 transition. In the course of this study a partial reinvestigation of the binary Re–Zr system has been performed that concluded on the absence in the phase diagram of the previously reported Zr2Re phase. Instead, the phase Zr21Re25 was proven

  8. Ternary rubidium rare-earth sulphides: synthesis and structure

    International Nuclear Information System (INIS)

    The sulphides Rb Ln S2, where Ln = rare earth metal, could be synthesized by heating a mixture of rubidium carbonate and the selected rare earth sesquioxide in a stream of H2 S. The ternary sulphides form thin mostly coloured plate-like crystals. All compounds crystallize in the α-Na Fe O2 structure type. Relations between the cell parameters as well as the z parameters of the sulphur atoms and the atomic number of the rare earth metals are discussed. The Madelung Part of Lattice Energy [MAPLE] is discussed in detail. All ternary sulphides Rb Ln S2 and Cs Ln S2 are MAPLE-exothermic. (authors). 20 refs., 6 tabs., 5 figs

  9. Symmetric weak ternary quantum homomorphic encryption schemes

    Science.gov (United States)

    Wang, Yuqi; She, Kun; Luo, Qingbin; Yang, Fan; Zhao, Chao

    2016-03-01

    Based on a ternary quantum logic circuit, four symmetric weak ternary quantum homomorphic encryption (QHE) schemes were proposed. First, for a one-qutrit rotation gate, a QHE scheme was constructed. Second, in view of the synthesis of a general 3 × 3 unitary transformation, another one-qutrit QHE scheme was proposed. Third, according to the one-qutrit scheme, the two-qutrit QHE scheme about generalized controlled X (GCX(m,n)) gate was constructed and further generalized to the n-qutrit unitary matrix case. Finally, the security of these schemes was analyzed in two respects. It can be concluded that the attacker can correctly guess the encryption key with a maximum probability pk = 1/33n, thus it can better protect the privacy of users’ data. Moreover, these schemes can be well integrated into the future quantum remote server architecture, and thus the computational security of the users’ private quantum information can be well protected in a distributed computing environment.

  10. Experimental investigation of phase equilibria in the Co–Si–Zr ternary system

    International Nuclear Information System (INIS)

    Highlights: •Two isothermal sections of the Co–Si–Zr system were experimentally determined. •The compositions of two ternary compounds (Zr5Co8Si9 and Zr4Co4Si7) were confirmed. •The solubility of Si in the Co23Zr6 phase at 1273 K is large (about 27.5 at.%). -- Abstract: The phase equilibria in the Co–Si–Zr ternary system were investigated by means of back-scattered electron (BSE), electron probe microanalysis (EPMA) and X-ray diffraction (XRD). Two isothermal sections of the Co–Si–Zr ternary system at 1273 and 1373 K were experimentally established, and the compositions of the two ternary compounds (Zr5Co8Si9 and Zr4Co4Si7) were confirmed. The isothermal sections of the system at 1273 and 1373 K respectively consist of 29 and 30 three-phase regions, and also six ternary compounds was found in both two isothermal sections. The solubility of Zr in the intermediate and solution phases (i.e. αCo2Si, αCoSi, CoSi2, αCo and εCo) at the Co–Si side is extremely small, whereas the situation of Si in the Co-rich corner (especially for Co23Zr6 and Co2Zr phases) is reverse

  11. Cyclodextrin-based microsensors for volatile organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Swanson, B.; Johnson, S.; Shi, J.; Yang, Xiaoguang

    1997-10-01

    Host-guest chemistry and self-assembly techniques are being explored to develop species selective thin-films for real-time sensing of volatile organic compounds (VOCs). Cyclodextrin (CD) and calixarene (CA) molecules are known to form guest-host inclusion complexes with a variety of organic molecules. Through the control of the cavity size and chemical functionality on the rims of these bucket-like molecules, the binding affinities for formation of inclusion complexes can be controlled and optimized for specific agents. Self-assembly techniques are used to covalently bond these reagent molecules to the surface of acoustic transducers to create dense, highly oriented, and stable thin films. Self-assembly techniques have also been used to fabricate multilayer thin film containing molecular recognition reagents through alternating adsorption of charged species in aqueous solutions. Self-assembly of polymeric molecules of the SAW device was also explored for fabricating species selective interfaces.

  12. A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water.

    Science.gov (United States)

    Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro

    2016-01-01

    A terminally protected, hydrophobic dipeptide Boc-L-Cys(Me)-L-Leu-OMe (1) was synthesized and its 3D-structure was determined by single crystal X-ray diffraction analysis. This peptide is able to hierarchically self-assemble in a variety of superstructures, including hollow rods, ranging from the nano- to the macroscale, and organogels. In addition, 1 is able to drive fullerene (C60) or multiwalled carbon nanotubes (MWCNTs) in an organogel by co-assembling with them. A hybrid 1-C60–MWCNT organogel was prepared and converted (through a high vacuum-drying process) into a robust, high-volume, water insoluble, solid material where C60 is well dispersed over the entire superstructure. This ternary material was successfully tested as a catalyst for: (i) the reduction reaction of water-soluble azo compounds mediated by NaBH4 and UV-light with an overall performance remarkably better than that provided by C60 alone, and (ii) the NaBH4-mediated reduction of benzoic acid to benzyl alcohol. Our results suggest that the self-assembly properties of 1 might be related to the occurrence in its single crystal structure of a sixfold screw axis, a feature shared by most of the linear peptides known so far to give rise to nanotubes. PMID:26463728

  13. Experimental investigation of the phase equilibria in the Co-Fe-Ti ternary system

    International Nuclear Information System (INIS)

    Phase equilibria in the Co-Fe-Ti ternary system were investigated by means of the equilibrated alloy method with X-ray powder diffraction and electron probe microanalysis. No ternary compounds were found. The experimental results indicated the existence of seven two-phase and one three-phase regions at 600 C, five two-phase and two three-phase regions at 800 C, and six two-phase and two three-phase regions at 950 C. The solubility of Co in TiFe2 was determined to be larger than 54 at.% at all investigated temperatures, and the solubilities of Fe in TiCo3 and Ti2Co showed an appreciable increase with increasing temperature. The three-phase equilibrium in the Ti-rich corner at 800 C was revealed to be ((β-Ti) + Ti(Fe, Co) + Ti2Co) rather than ((α-Ti) + Ti(Fe, Co) + Ti2Co) reported in previous investigations. Based on the experimental data obtained in the present work, three isothermal sections at 600, 800 and 950 C were established.

  14. Experimental investigation and thermodynamic assessment of phase equilibria in the Nb–Si–Zr ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Li, J.; Guo, Y.H. [Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Yang, S.Y.; Shi, Z.; Wang, C.P. [Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Research Center of Materials Design and Applications, Xiamen University, Xiamen 361005 (China); Liu, X.J., E-mail: lxj@xmu.edu.cn [Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Research Center of Materials Design and Applications, Xiamen University, Xiamen 361005 (China)

    2015-09-05

    Highlights: • The sections of Nb–Si–Zr system at 1373, 1473 and 1573 K were determined. • Large solubilities of Nb in αZr{sub 5}Si{sub 4}, Zr{sub 3}Si{sub 2} and Zr{sub 2}Si phases were observed. • The thermodynamic assessment of Nb–Si–Zr ternary system was carried out. - Abstract: In this study, the phase equilibria of Nb–Si–Zr at 1373 K, 1473 K and 1573 K were experimentally determined by means of back-scattered electron (BSE), electron probe microanalysis (EPMA) and X-ray diffraction (XRD). The results show that there were five three-phase regions and sixteen two-phase regions in the studied isothermal sections, and no any ternary compounds were found. The solubility of Si in the Nb–Zr side is very small. Large solubilities of Nb in αZr{sub 5}Si{sub 4}, Zr{sub 3}Si{sub 2} and Zr{sub 2}Si phases were observed, otherwise the solubilities of Nb in ZrSi{sub 2}, αZrSi and Zr{sub 3}Si phases are relatively small. Based on the present experimental results, the thermodynamic assessment of Nb–Si–Zr system was carried out using the CALPHAD (Calculation of Phase Diagrams) method. The current calculated phase diagrams are in reasonable agreement with the present experimental data.

  15. Experimental investigation and thermodynamic assessment of phase equilibria in the Nb–Si–Zr ternary system

    International Nuclear Information System (INIS)

    Highlights: • The sections of Nb–Si–Zr system at 1373, 1473 and 1573 K were determined. • Large solubilities of Nb in αZr5Si4, Zr3Si2 and Zr2Si phases were observed. • The thermodynamic assessment of Nb–Si–Zr ternary system was carried out. - Abstract: In this study, the phase equilibria of Nb–Si–Zr at 1373 K, 1473 K and 1573 K were experimentally determined by means of back-scattered electron (BSE), electron probe microanalysis (EPMA) and X-ray diffraction (XRD). The results show that there were five three-phase regions and sixteen two-phase regions in the studied isothermal sections, and no any ternary compounds were found. The solubility of Si in the Nb–Zr side is very small. Large solubilities of Nb in αZr5Si4, Zr3Si2 and Zr2Si phases were observed, otherwise the solubilities of Nb in ZrSi2, αZrSi and Zr3Si phases are relatively small. Based on the present experimental results, the thermodynamic assessment of Nb–Si–Zr system was carried out using the CALPHAD (Calculation of Phase Diagrams) method. The current calculated phase diagrams are in reasonable agreement with the present experimental data

  16. Experimental investigation of the phase equilibria in the Co-Fe-Ti ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Chaohui; Chen, Chong; Peng, Yingbiao; Du, Yong; Li, Kun [Central South Univ., State Key of Powder Metallurgy, Changsha (China); Lu, Xingxu [Central South Univ., State Key of Powder Metallurgy, Changsha (China); Central South Univ., School of Materials Science and Engineering, Changsha (China)

    2015-08-15

    Phase equilibria in the Co-Fe-Ti ternary system were investigated by means of the equilibrated alloy method with X-ray powder diffraction and electron probe microanalysis. No ternary compounds were found. The experimental results indicated the existence of seven two-phase and one three-phase regions at 600 C, five two-phase and two three-phase regions at 800 C, and six two-phase and two three-phase regions at 950 C. The solubility of Co in TiFe{sub 2} was determined to be larger than 54 at.% at all investigated temperatures, and the solubilities of Fe in TiCo{sub 3} and Ti{sub 2}Co showed an appreciable increase with increasing temperature. The three-phase equilibrium in the Ti-rich corner at 800 C was revealed to be ((β-Ti) + Ti(Fe, Co) + Ti{sub 2}Co) rather than ((α-Ti) + Ti(Fe, Co) + Ti{sub 2}Co) reported in previous investigations. Based on the experimental data obtained in the present work, three isothermal sections at 600, 800 and 950 C were established.

  17. Ternary forecast of heavy snowfall in the Honam area, Korea

    Science.gov (United States)

    Sohn, Keon Tae; Lee, Jeong Hyeong; Cho, Young Seuk

    2009-03-01

    The objective of this study is to improve the statistical modeling for the ternary forecast of heavy snowfall in the Honam area in Korea. The ternary forecast of heavy snowfall consists of one of three values, 0 for less than 50 mm, 1 for an advisory (50-150 mm), and 2 for a warning (more than 150 mm). For our study, the observed daily snow amounts and the numerical model outputs for 45 synoptic factors at 17 stations in the Honam area during 5 years (2001 to 2005) are used as observations and potential predictors respectively. For statistical modeling and validation, the data set is divided into training data and validation data by cluster analysis. A multi-grade logistic regression model and neural networks are separately applied to generate the probabilities of three categories based on the model output statistic (MOS) method. Two models are estimated by the training data and tested by the validation data. Based on the estimated probabilities, three thresholds are chosen to generate ternary forecasts. The results are summarized in 3×3 contingency tables and the results of the three-grade logistic regression model are compared to those of the neural networks model. According to the model training and model validation results, the estimated three-grade logistic regression model is recommended as a ternary forecast model for heavy snowfall in the Honam area.

  18. An experimental study of the Fe-Sn-Zr ternary system at 900 C

    International Nuclear Information System (INIS)

    The partial isothermal section of the Fe-Sn-Zr system at 900 C reported in Ref [7] was completed. As compared with this section, three new ternary compounds were evidenced (Y, C36 and Fe6Sn6Zr), one compound previously reported with a homogeneity domain (X) was shown to consist in fact of two separate compounds with close compositions (X' and X''). The crystal structure of the previously reported N phase was determined ab initio from powder diffraction data. (authors)

  19. Building Asphalt Pavement with SBS-based Compound Added Using a Dry Process in Greenland

    DEFF Research Database (Denmark)

    Lee, Hosin; Kim, Yongjoo; Geisler, Nivi;

    2009-01-01

    PMA where it is formulated to melt and blend with asphalt quickly during a batch mixing process. The main objectives of this study are to (1) build asphalt pavement using asphalt mixtures with SBS-based compound added using a “dry” process at the batch plant and (2) evaluate its performance under......-based compound seemed to affect the asphalt mix to become more flexible under the heavy loads. By adding SBS-based compound to asphalt mixtures using a “dry” process, it is expected that the pavement would become more resistant to rutting than a typical asphalt mixture used in Greenland while enduring its arctic...

  20. Synthesis and characterization of new chitosan-based Schiff base compounds.

    Science.gov (United States)

    Gavalyan, Vasak B

    2016-07-10

    Chitin (Cn) was extracted from the armors of crustaceans Astacus leptodactylus (Lake Sevan, Armenia) and then converted to chitosan (Cs), its deacetylated derivative. Novel Schiff bases (CsSB) were synthesized by interaction of Cs with 4-(2-chloroethyl)benzaldehyde (aldehyde-1) and 4-(2-bromoethyl)benzaldehyde (aldehyde-2), and underwent dehydrohalogenation, under basic conditions (10°C), to yield respective vinyl derivatives. All newly synthesized compounds were structurally characterized by solubility tests, elemental analysis, infrared spectroscopy (FTIR), thermogravimetry (TGA), proton nuclear magnetic resonance ((1)H NMR), and X-ray diffraction (XRD). PMID:27106149

  1. Translation of Japanese Noun Compounds at Super-Function Based MT System

    Science.gov (United States)

    Zhao, Xin; Ren, Fuji; Kuroiwa, Shingo

    Noun compounds are frequently encountered construction in nature language processing (NLP), consisting of a sequence of two or more nouns which functions syntactically as one noun. The translation of noun compounds has become a major issue in Machine Translation (MT) due to their frequency of occurrence and high productivity. In our previous studies on Super-Function Based Machine Translation (SFBMT), we have found that noun compounds are very frequently used and difficult to be translated correctly, the overgeneration of noun compounds can be dangerous as it may introduce ambiguity in the translation. In this paper, we discuss the challenges in handling Japanese noun compounds in an SFBMT system, we present a shallow method for translating noun compounds by using a word level translation dictionary and target language monolingual corpus.

  2. Evaluation of ternary blended cements for use in transportation concrete structures

    Science.gov (United States)

    Gilliland, Amanda Louise

    designing ternary blended cements more acceptable by eliminating arbitrary limitations for supplementary cementitious materials (SCMs) use and changing to performance-based standards. Performance-based standards require trial batching of concrete mixture designs, which can be used to optimize ternary combinations of portland cement and SCMs. States should be aware of various SCMs that are appropriate for the project type and its environment.

  3. The ternary system Tm-Ni-In at 870 K

    Energy Technology Data Exchange (ETDEWEB)

    Tyvanchuk, Yuriy B.; Kalychak, Yaroslav M. [Ivan Franko National University of Lviv (Ukraine). Dept. of Analytical Chemistry; Lukachuk, Maryana; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Szytula, Andrzej [Jagiellonian Univ., Krakow (Poland). Inst. of Physics

    2015-11-01

    The isothermal section of the Tm-Ni-In system at T = 870 K was constructed. Nine ternary compounds: Tm{sub 10}Ni{sub 9}In{sub 20}, TmNi{sub 1-0.60}In{sub 1-1.40}, Tm{sub 2}Ni{sub 2}In, Tm{sub 2}Ni{sub 1.78}In, Tm{sub 5}Ni{sub 2}In{sub 4}, Tm{sub 11}Ni{sub 4}In{sub 9}, Tm{sub 4.83}Ni{sub 2}In{sub 1.17}, Tm{sub 6}Ni{sub 2}In and Tm{sub 14}Ni{sub 3}In{sub 3} exist in the system at the temperature of investigation. Solid solutions with In/Ni and Tm/In mixing were noticed for numerous compounds. A broad substitution of Ni for In was observed for TmNi{sub 1-0.60}In{sub 1-1.40}, and of Tm for In for the TmNi{sub 2}-TmNi{sub 4}In section. An interstitial solid solution Tm{sub x}NiIn, based on binary equiatomic NiIn, extends up to 8 at.% Tm (x = 0.17). The magnetic properties of TmNiIn, Tm{sub 2}Ni{sub 2}In and Tm{sub 5}Ni{sub 2}In{sub 4} are also reviewed.

  4. Ternary and senary representations using DNA double-crossover tiles

    CERN Document Server

    Kim, Byeonghoon; Son, Junyoung; Kim, Junghoon; Hwang, Si Un; Dugasani, Sreekantha Reddy; Kim, Min Hyeok; Kim, Byung-Dong; Chang, Iksoo; Liu, Wing Kam; Kim, Moon Ki; Park, Sung Ha

    2016-01-01

    The information capacity of double-crossover (DX) tiles was successfully increased beyond a binary representation to higher base representations. By controlling the length and the position of DNA hairpins on the DX tile, ternary and senary (base-3 and base-6) digit representations were realized and verified by atomic force microscopy (AFM). Also, normal mode analysis (NMA) was carried out to study the mechanical characteristics of each structure.

  5. Synthesis, antimicrobial activity of Schiff base compounds of cinnamaldehyde and amino acids.

    Science.gov (United States)

    Wang, Hui; Yuan, Haijian; Li, Shujun; Li, Zhuo; Jiang, Mingyue

    2016-02-01

    The purpose of this study was to synthesize hydrophilic cinnamaldehyde Schiff base compounds and investigate those bioactivity. A total of 24 Schiff base compounds were synthesized using a simple approach with 3 cinnamaldehyde derivates and 8 amino acids as raw materials. The structures of synthesized compounds were confirmed using FTIR, (1)HNMR, HRMS purity and melting point. The antimicrobial activities of new compounds were evaluated with fluconazole and ciprofloxacin as the control against Aspergillus niger, Penicillium citrinum, Escherichia coli and Staphylococcus aureus. Findings show that major compounds exhibited significant bioactivity. Results from the structure-activity relationship suggest that both -p-Cl on benzene ring of cinnamaldehyde and the number of -COOK of amino acid salts significantly contributed to antimicrobial activity. PMID:26774583

  6. Study of the photonic crystal waveguide based on 2D compound lattice structure

    Institute of Scientific and Technical Information of China (English)

    WU Chao-jun; LI Yan-ping; WANG Zi-u

    2009-01-01

    group velocity dispersion compensation can be realized by the structure optimization. The results provide a reference for the study and application of photonic crystal waveguide based on the compound lattice structure.

  7. Green chemistry approach to the synthesis of potentially bioactive aminobenzylated Mannich bases through active hydrogen compounds

    OpenAIRE

    S. L. VASOYA; P. T. CHOVATIA; D. H. PUROHIT; H. S. JOSHI

    2005-01-01

    An efficient and high yield method for the synthesis of aminobenzylated Mannich bases is described. The synthesis occurs in aqueous medium at 0 ºC. The compounds show moderate antitubercular and antimicrobial activities.

  8. Green chemistry approach to the synthesis of potentially bioactive aminobenzylated Mannich bases through active hydrogen compounds

    Directory of Open Access Journals (Sweden)

    S. L. VASOYA

    2005-10-01

    Full Text Available An efficient and high yield method for the synthesis of aminobenzylated Mannich bases is described. The synthesis occurs in aqueous medium at 0 ºC. The compounds show moderate antitubercular and antimicrobial activities.

  9. The isothermal section at 923 K of the Co-Cu-Ti ternary system measured by using diffusion triple

    International Nuclear Information System (INIS)

    The isothermal section at 923 K in the Co-Cu-Ti system was experimentally studied by using the diffusion triple technique together with scanning electron microscopy (SEM) and electron probe microanalysis (EPMA). High solubility of Cu, up to 22.5 at.% (substituting Co) in CoTi was observed at this temperature; and the solubility of Co (substituting Cu) in CuTi is also large which is up to 14.0 at.%. For other binary compounds CoTi2, CuTi2, Cu4Ti3 and Cu3Ti2, the ternary solubilities are remarkable too. No ternary compound has been detected. Nine three-phase equilibria were determined and three others in the Ti-enriched corner were estimated. Further investigations are essential to confirm the possible ternary phase reported and to determine the invariant reactions in the ternary system

  10. Nuclear magnetic resonance on selected lithium based compounds

    Energy Technology Data Exchange (ETDEWEB)

    Rudisch, Christian

    2013-11-26

    This thesis presents the NMR measurements on the single crystals LiMnPO{sub 4} and Li{sub 0.9}FeAs. Therefore, the thesis is divided into two separated sections. The first part reports on the competitive next generation cathode material LiMnPO{sub 4} with a stable reversible capacity up to 145 mAh/g and a rather flat discharge voltage curve at 4.1 V. For the basic understanding of the material the magnetic properties have been investigated by a Li and P NMR study in the paramagnetic and antiferromagnetic phase. LiMnPO{sub 4} shows a strong anisotropy of the dipolar hyperfine coupling due to the strong local magnetic moments at the Mn site. The corresponding dipole tensor of the Li- and P-nuclei is fully determined by orientation and temperature dependent NMR experiments and compared to the calculated values from crystal structure data. Deviations of the experimentally determined values from the theoretical ones are discussed in terms of Mn disorder which could have an impact on the mobility of the Li ions. The disorder is corroborated by diffuse X-ray diffraction experiments which indicate a shift of the heavy elements in the lattice, namely the Mn atoms. Furthermore, the spin arrangement in the relative strong field of 7.0494 T in the antiferromagnetic state is understood by the NMR measurements. In order to obtain parameters of the Li ion diffusion in LiMnPO{sub 4} measurements of the spin lattice relaxation rate were performed. Due to the strong dipolar coupling between the Li-nuclei and the magnetic moments at the Mn site it is difficult to extract parameters which can characterize the diffusive behavior of the Li ions. The second section reports on the AC/DC susceptibility and NMR/NQR studies on Li deficit samples labeled as Li{sub 0.9}FeAs. LiFeAs belongs to the family of the superconducting Pnictides which are discovered in 2008 by H. Hosono et al. In recent studies the stoichiometric compound reveals triplet superconductivity below T{sub c}-18 K which

  11. Accelerating Multiple Compound Comparison Using LINGO-Based Load-Balancing Strategies on Multi-GPUs

    Directory of Open Access Journals (Sweden)

    Chun-Yuan Lin

    2015-01-01

    Full Text Available Compound comparison is an important task for the computational chemistry. By the comparison results, potential inhibitors can be found and then used for the pharmacy experiments. The time complexity of a pairwise compound comparison is O(n2, where n is the maximal length of compounds. In general, the length of compounds is tens to hundreds, and the computation time is small. However, more and more compounds have been synthesized and extracted now, even more than tens of millions. Therefore, it still will be time-consuming when comparing with a large amount of compounds (seen as a multiple compound comparison problem, abbreviated to MCC. The intrinsic time complexity of MCC problem is O(k2n2 with k compounds of maximal length n. In this paper, we propose a GPU-based algorithm for MCC problem, called CUDA-MCC, on single- and multi-GPUs. Four LINGO-based load-balancing strategies are considered in CUDA-MCC in order to accelerate the computation speed among thread blocks on GPUs. CUDA-MCC was implemented by C+OpenMP+CUDA. CUDA-MCC achieved 45 times and 391 times faster than its CPU version on a single NVIDIA Tesla K20m GPU card and a dual-NVIDIA Tesla K20m GPU card, respectively, under the experimental results.

  12. Crystal structure and magnetic studies of the uranium ternary pnictides

    International Nuclear Information System (INIS)

    Crystallographic and magnetic properties of seven identified phases in the ternary U-Cu(Ni)-P(As) systems are reported. Preliminary studies performed on both polycrystalline and single-crystal samples have indicated a new type of crystal structure for UCuP2, UCuAs2 and UNiAs2. Magnetic susceptibility measurements of these phases have shown that the U-Cu-P(As) ternaries are ferromagnetically ordered with TC being 216, 76, 140 and 131 K for UCu2P2, UCuP2, UCu2As2 and UCuAs2 respectively. The U-NiP(As) ternaries are antiferromagnets with TN=228 K for UNiAs2 and 111 K for UNi2P2. The seventh phase obtained in the form of single crystals with, as yet, uncertain composition denoted as ''U3Cu3P5'' and having a complex tetragonal crystal structure with c/a=9.2, exhibits an antiferromagnetic phase transition below 146 K. Magnetization measurements reveal a strong magnetic anisotropy in all the ferromagnetic compounds examined. (orig.)

  13. Molecular Recognition: Detection of Colorless Compounds Based on Color Change

    Science.gov (United States)

    Khalafi, Lida; Kashani, Samira; Karimi, Javad

    2016-01-01

    A laboratory experiment is described in which students measure the amount of cetirizine in allergy-treatment tablets based on molecular recognition. The basis of recognition is competition of cetirizine with phenolphthalein to form an inclusion complex with ß-cyclodextrin. Phenolphthalein is pinkish under basic condition, whereas it's complex form…

  14. The nitrogen-containing compounds on the glycerin base

    International Nuclear Information System (INIS)

    In present time in all over the world there are leading an intensive investigations on synthesis and studying positive properties of amine-derivatives on the glycerine base. To them related amine and ether-amines of propanediol-1,2; 1,3-diamines-2-propanole and different their derivatives, which present interest as a potential biological active substances

  15. Characterization and crystal structures of new Schiff base macrocyclic compounds

    Czech Academy of Sciences Publication Activity Database

    Khalaji, A.D.; Ghoran, S.H.; Pojarová, Michaela; Dušek, Michal

    2015-01-01

    Roč. 56, č. 7 (2015), s. 1410-1414. ISSN 0022-4766 R&D Projects: GA ČR(CZ) GA14-03276S Institutional support: RVO:68378271 Keywords : synthesis * macrocyclic Schiff base * single crystal structure analysis * spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.508, year: 2014

  16. 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.

  17. Defects, deformation mechanisms and phase stabilities in Nb-based B2 compounds

    International Nuclear Information System (INIS)

    Deformation mechanisms have been determined for compounds based on Nb3Al containing various additions of Ti. These compounds exhibit the B2 crystal structure and deform by activation of one or more of the following slip systems, namely left-angle 111 right-angle {110}, left-angle 111 right-angle {112} and left-angle 111 right-angle {123}. The dislocations are dissociated as superpartial pairs, each with Burgers vector, b, given by b=1/2 left-angle 111 right-angle, which bound a ribbon of antiphase boundary. Attempts have been made to determine the ordering temperatures and the ordering energy of these compounds. Estimates of the site occupancy of these nonstoichiometric B2 compounds have also been determined by the ALCHEMI technique. The phase stabilities of these compounds have been determined over a wide range of temperatures and the effect of these on mechanical properties has been assessed

  18. Chemical reactivity of hypervalent silicon compounds: The local hard and soft acids and bases principle viewpoint

    Indian Academy of Sciences (India)

    Francisco Méndez; María De L Romero; José L Gazquez

    2005-09-01

    The silicon atom may increase its coordination number to values greater than four, to form pentacoordinated compounds. It has been observed experimentally that, in general, pentacoordinated compounds show greater reactivity than tetracoordinated compounds. In this work, density functional theory is used to calculate the global softness and the condensed softness of the silicon atom for SiHF4- and SiHF$^{1-}_{5-n}$. The values obtained show that the global and condensed softness are greater in the pentacoordinated compounds than in the tetracoordinated compounds, a result that explains the enhanced reactivity. If the results are analysed through a local version of the hard and soft acids and bases principle, it is possible to suggest that in nucleophilic substitution reactions, soft nucleophiles preferably react with SiHF$^{1-}_{5-n}$, and hard nucleophiles with SiHF4-.

  19. Fast preparation and thermal transport property of TiCoSb-based half-Heusler compounds

    Institute of Scientific and Technical Information of China (English)

    Xie Wen-Jie; Tang Xin-Feng; Zhang Qing-Jie

    2007-01-01

    TiCoSb-based half-Heusler compounds with the substitution of Zr for Ti have been prepared quickly by combining high-energy ball milling method with spark plasma sintering technique, and their thermal transport properties have been investigated. With the increase of the concentration of Zr, the thermal conductivity of Ti1-xZrxCoSb compounds decreases significantly. Compared with the thermal conductivity of TiCoSb compound, that of Ti0.5Zr0.5CoSb decreases by 200% at 1000 K.

  20. DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety

    Directory of Open Access Journals (Sweden)

    Špirtović-Halilović Selma

    2014-01-01

    Full Text Available In the present investigation, a series of coumarin-based compounds containing a chalcone moiety were studied for their in vitro and in silico properties. DFT global chemical reactivity descriptors (chemical hardness, total energy, electronic chemical potential and electrophilicity are calculated for four synthesized compounds and used to predict their relative stability and reactivity. The antibacterial activities of all compounds have been screened against Bacillus subtilis (ATCC No. 6633 and Bacillus cereus (ATCC No. 11778. Quantum-chemical calculations indicate that antibacterial activity correlates well with chemical reactivity descriptors of molecules.

  1. Influence of lead Inorganic Compounds on Combustion Rate of Double Base Rocket Propellants

    Directory of Open Access Journals (Sweden)

    V. B. Pillai

    1982-04-01

    Full Text Available The influence of lead nitrate, red lead, lead chromate, lead floride and lead carbonate on the combustion behaviour of double base propellants in the pressure range-35-140kg/cm /sup 2/ was studied. While all these compounds increased burning rates in lower pressure range (35-60 kg/cm/sup 2/ and higher pressure range (120-140 kg/cm/sup 2/, only lead chromate and lead fluoride were effective in the intermediate pressure range of 60-105 kg/cm/sup 2/. None of these compounds were effective as platonizer, except lead fluoride, which lowered n value to 0.34 in the lower pressure range. Addition of carbon black along with lead compounds raised burning rates further and reduced n values significantly in the higher pressure regins. A probable mechanism on the role of lead compounds studied has been suggested based on burning rate and DTA results.

  2. Metabolomics-Based Screening of Biofilm-Inhibitory Compounds against Pseudomonas aeruginosa from Burdock Leaf

    OpenAIRE

    Zaixiang Lou; Yuxia Tang; Xinyi Song; Hongxin Wang

    2015-01-01

    Screening of anti-biofilm compounds from the burdock leaf based on metabolomics is reported here. The crystal violet assay indicated 34% ethanol elution fraction of burdock leaf could completely inhibit biofilm formation of Pseudomonas aeruginosa at 1 mg·mL−1. Then, the chemical composition of burdock leaf fraction was analyzed by ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) and 11 active compounds (chlorogenic acid, caffeic acid, p-coumaric acid, quercetin, ursolic aci...

  3. Anti-tumor Compounds Based on a Natural Product Consensus Pharmacophore

    OpenAIRE

    Lagisetti, Chandraiah; Pourpak, Alan; Jiang, Qin; CUI, XIAOLI; Goronga, Tinopiwa; Morris, Stephan W.; Webb, Thomas R.

    2008-01-01

    We report the design and highly enantioselective synthesis of a potent analog of the spliceosome inhibitor FR901464, based on a non-natural product scaffold. The design of this compound was facilitated by a pharmacophore hypothesis that assumed key interaction types that are common to FR901464 and an otherwise unrelated natural product (pladienolide). The synthesis allows for the preparation of numerous novel analogs. We present results on the in vitro activity for this compound against sever...

  4. Synthesis and Antimicrobial Activity of New Schiff Base Compounds Containing 2-Hydroxy-4-pentadecylbenzaldehyde Moiety

    Directory of Open Access Journals (Sweden)

    Gadada Naganagowda

    2014-01-01

    Full Text Available Various novel Schiff base compounds have been synthesized by reaction of 2-hydroxy-4-pentadecylbenzaldehyde with substituted benzothiophene-2-carboxylic acid hydrazide and different substituted aromatic or heterocyclic amines in the presence of acetic acid in ethanol. The structures of all these compounds were confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR, and mass spectral data and have been screened for antibacterial and antifungal activity.

  5. Use of Time-Resolved Fluorescence to Monitor Bioactive Compounds in Plant Based Foodstuffs

    OpenAIRE

    Lemos, M. Adília; Sárniková, Katarína; Bot, Francesca; Anese, Monica; Hungerford, Graham

    2015-01-01

    The study of compounds that exhibit antioxidant activity has recently received much interest in the food industry because of their potential health benefits. Most of these compounds are plant based, such as polyphenolics and carotenoids, and there is a need to monitor them from the field through processing and into the body. Ideally, a monitoring technique should be non-invasive with the potential for remote capabilities. The application of the phenomenon of fluorescence has proved to be well...

  6. Standardization of Tragopogon graminifolius DC. Extract Based on Phenolic Compounds and Antioxidant Activity

    OpenAIRE

    2014-01-01

    Tragopogon graminifolius DC. (TG), Compositae family, is traditionally used for the treatment of various diseases like gastrointestinal and hepatic disorders. The aim of the present study is to standardize extracts from TG used for preparation of different dosage forms in traditional Iranian medicine (TIM) based on phenolic compounds. For this purpose, total phenolic content and some phenolic compounds were determined in ethanolic extracts from aerial part and root of TG by HPLC method. Furth...

  7. A Risk-Based Strategy for Evaluating Mitigation Options for Process-Formed Compounds in Food

    OpenAIRE

    Hanlon, Paul; Brorby, Gregory P.; Krishan, Mansi

    2016-01-01

    Processing (eg, cooking, grinding, drying) has changed the composition of food throughout the course of human history; however, awareness of process-formed compounds, and the potential need to mitigate exposure to those compounds, is a relatively recent phenomenon. In May 2015, the North American Branch of the International Life Sciences Institute (ILSI North America) Technical Committee on Food and Chemical Safety held a workshop on the risk-based process for mitigation of process-formed com...

  8. Image-based compound profiling reveals a dual inhibitor of tyrosine kinase and microtubule polymerization

    Science.gov (United States)

    Tanabe, Kenji

    2016-01-01

    Small-molecule compounds are widely used as biological research tools and therapeutic drugs. Therefore, uncovering novel targets of these compounds should provide insights that are valuable in both basic and clinical studies. I developed a method for image-based compound profiling by quantitating the effects of compounds on signal transduction and vesicle trafficking of epidermal growth factor receptor (EGFR). Using six signal transduction molecules and two markers of vesicle trafficking, 570 image features were obtained and subjected to multivariate analysis. Fourteen compounds that affected EGFR or its pathways were classified into four clusters, based on their phenotypic features. Surprisingly, one EGFR inhibitor (CAS 879127-07-8) was classified into the same cluster as nocodazole, a microtubule depolymerizer. In fact, this compound directly depolymerized microtubules. These results indicate that CAS 879127-07-8 could be used as a chemical probe to investigate both the EGFR pathway and microtubule dynamics. The image-based multivariate analysis developed herein has potential as a powerful tool for discovering unexpected drug properties. PMID:27117592

  9. Understanding the toxicological potential of aerosol organic compounds using informatics based screening

    Science.gov (United States)

    Topping, David; Decesari, Stefano; Bassan, Arianna; Pavan, Manuela; Ciacci, Andrea

    2016-04-01

    Exposure to atmospheric particulate matter is responsible for both short-term and long-term adverse health effects. So far, all efforts spent in achieving a systematic epidemiological evidence of specific aerosol compounds determining the overall aerosol toxicity were unsuccessful. The results of the epidemiological studies apparently conflict with the laboratory toxicological analyses which have highlighted very different chemical and toxicological potentials for speciated aerosol compounds. Speciation remains a problem, especially for organic compounds: it is impossible to conduct screening on all possible molecular species. At the same time, research on toxic compounds risks to be biased towards the already known compounds, such as PAHs and dioxins. In this study we present results from an initial assessment of the use of in silico methods (i.e. (Q)SAR, read-across) to predict toxicity of atmospheric organic compounds including evaluation of applicability of a variety of popular tools (e.g. OECD QSAR Toolbox) for selected endpoints (e.g. genotoxicity). Compounds are categorised based on the need of new experimental data for the development of in silico approaches for toxicity prediction covering this specific chemical space, namely the atmospheric aerosols. Whilst only an initial investigation, we present recommendations for continuation of this work.

  10. Prediction of (liquid + liquid) equilibrium for binary and ternary systems containing ionic liquids with the bis[(trifluoromethyl)sulfonyl]imide anion using the ASOG method

    International Nuclear Information System (INIS)

    Highlights: • ASOG model was used to predict LLE data for ionic liquid systems. • Twenty five binary and seven ternary systems that include the NTf2 anion were used. • New group interaction parameters were determined. • The results are satisfactory, with rms deviations of about 3%. - Abstract: Ionic liquids are neoteric, environmentally friendly solvents (as they do not produce emissions) composed of large organic cations and relatively small inorganic anions. They have favorable physical properties, such as negligible volatility and a wide range of liquid existence. (Liquid + liquid) equilibrium (LLE) data for systems including ionic liquids, although essential for the design, optimization and operation of separation processes, remain scarce. However, some recent studies have presented ternary LLE data involving several ionic liquids and organic compounds such as alkanes, alkenes, alkanols, ethers and aromatics, as well as water. In this work, the ASOG model for the activity coefficient is used to predict LLE data for 25 binary and 07 ternary systems at 101.3 kPa and several temperatures; all the systems are formed by ionic liquids including the bis[(trifluoromethyl)sulfonyl]imide (NTf2) anion plus alkanes, alkenes, cycloalkanes, alkanols, water, thiophene and aromatics. New group interaction parameters were determined using a modified Simplex method, minimizing a composition-based objective function of experimental data obtained from the literature. The results are satisfactory, with rms deviations of approximately 3%

  11. Cooperative phenomena in ternary superconductors

    International Nuclear Information System (INIS)

    A microscopic theory of ferromagnetic superconductors is developed from first principles. Self-consistent equations for the superconducting order parameter Δ and spontaneous magnetization are derived using a Green's function technique and considering the f-d exchange effect up to the second order. The theory is applied to explain the experimental results in the reentrant superconducting ternary system ErRh4B4. The present model explains reentrant behavior, predicts the coexistence of superconductivity and ferromagnetism in a very small range of temperature, the suppression of superconductivity by ferromagnetism, and vice versa. These results are in excellent agreement with the experimental data and predictions of other models. The behavior of the spontaneous magnetization, the superconducting order parameter, the specific heat, and the density of states is also studied

  12. Ternary fission induced by polarized neutrons

    OpenAIRE

    Gönnenwein Friedrich

    2013-01-01

    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 perp...

  13. Theoretical prediction of topological insulator in ternary rare earth chalcogenides

    OpenAIRE

    Yan, Binghai; Zhang, Hai-Jun; Liu, Chao-Xing; Qi, Xiao-Liang; Frauenheim, Thomas; Zhang, Shou-Cheng

    2010-01-01

    A new class of three-dimensional topological insulator, ternary rare earth chalcogenides, is theoretically investigated with ab initio calculations. Based on both bulk band structure analysis and the direct calculation of topological surface states, we demonstrate that LaBiTe3 is a topological insulator. La can be substituted by other rare earth elements, which provide candidates for novel topological states such as quantum anomalous Hall insulator, axionic insulator and topological Kondo ins...

  14. The lamellar-to-isotropic transition in ternary amphiphilic systems

    OpenAIRE

    Schwarz, U. S.; Swamy, K.; Gompper, G.

    1996-01-01

    We study the dependence of the phase behavior of ternary amphiphilic systems on composition and temperature. Our analysis is based on a curvature elastic model of the surfactant film with sufficiently large spontaneous curvature and sufficiently negative saddle-splay modulus that the stable phases are the lamellar phase and a droplet microemulsion. In addition to the curvature energy, we consider the contributions to the free energy of the long-ranged van der Waals interaction and of the undu...

  15. Mechanism of ultrasonic-pulse electrochemical compound machining based on particles

    Institute of Scientific and Technical Information of China (English)

    张成光; 张勇; 张飞虎

    2014-01-01

    The electric double layer with the transmission of particles was presented based on the principle of electrochemistry. In accordance with this theory, the cavitation catalysis removal mechanism of ultrasonic-pulse electrochemical compound machining (UPECM) based on particles was proposed. The removal mechanism was a particular focus and was thus validated by experiments. The principles and experiments of UPECM were introduced, and the removal model of the UPECM based on the principles of UPECM was established. Furthermore, the effects of the material removal rate for the main processing parameters, including the particles size, the ultrasonic vibration amplitude, the pulse voltage and the minimum machining gap between the tool and the workpiece, were also studied through UPECM. The results show that the particles promote ultrasonic-pulse electrochemical compound machining and thus act as the catalyzer of UPECM. The results also indicate that the processing speed, machining accuracy and surface quality can be improved under UPECM compound machining.

  16. Volatile compounds and bacterial community dynamics of chestnut-flour-based sourdoughs.

    Science.gov (United States)

    Aponte, M; Boscaino, F; Sorrentino, A; Coppola, R; Masi, P; Romano, A

    2013-12-01

    The aims of this study were the monitoring of the microbial dynamics by means of a polyphasic approach based on conventional isolation techniques and PCR-DGGE-based methods in different chestnut-based sourdoughs and the evaluation of the impact of fermentation on volatile organic compounds formation during sourdoughs ripening. Members of the Lactobacillus plantarum group and Pediococcus pentosaceous dominated the sourdough ecosystems. Nevertheless, RAPD-PCR allowed recording a relevant genotypic biodiversity among strains coming from gluten-free flour combinations. Volatile compounds were characterised by GC/MS. A total of 59 volatile compounds were identified, mainly alcohols, esters, acids, aldehydes and ketones. Principal component analysis of samples at the beginning and at the end of ripening offered a good separation of the samples and highlighted the effect of fermentation on the sensorial profile. PMID:23870973

  17. Comparison Of Modified Dual Ternary Indexing And Multi-Key Hashing Algorithms For Music Information Retrieval

    Directory of Open Access Journals (Sweden)

    Rajeswari Sridhar

    2010-07-01

    Full Text Available In this work we have compared two indexing algorithms that have been used to index and retrieve Carnatic music songs. We have compared a modified algorithm of the Dual ternary indexing algorithm for music indexing and retrieval with the multi-key hashing indexing algorithm proposed by us. The modification in the dual ternary algorithm was essential to handle variable length query phrase and to accommodate features specific to Carnatic music. The dual ternary indexing algorithm is adapted for Carnatic music by segmenting using the segmentation technique for Carnatic music. The dual ternary algorithm is compared with the multi-key hashing algorithm designed by us for indexing and retrieval in which features like MFCC, spectral flux, melody string and spectral centroid are used as features for indexing data into a hash table. The way in which collision resolution was handled by this hash table is different than the normal hash table approaches. It was observed that multi-key hashing based retrieval had a lesser time complexity than dual-ternary based indexing The algorithms were also compared for their precision and recall in which multi-key hashing had a better recall than modified dual ternary indexing for the sample data considered.

  18. Experimental investigation and thermodynamic calculation of phase relations in the Mg-Nd-Y ternary system

    International Nuclear Information System (INIS)

    Mg-Nd-Y alloys ingots were cast and annealed at 753 K, and then analyzed with scanning electron microscopy (SEM), X-ray diffraction (XRD) and electron-probe microanalysis (EPMA) to determine phase equilibria in the Mg-rich part of the Mg-Nd-Y system. Existence of the ternary compound β with Mg5Gd-type structure was verified, which is in the equilibrium with hcpA3 (Mg). Furthermore, thermodynamic description of the Mg-Nd-Y system was carried out on the basis of the present experimental results. The thermodynamic parameters of the boundary Mg-Nd and Nd-Y binary systems were directly cited from literatures, while most of the parameters for the Mg-Y binary system were taken from the latest literature with an exception of a minor revision for the bccB2 phase in this paper. The ordered bccB2 and disordered bccA2 phases were described with a sublattice model (Mg,Nd,Y)0.5(Mg,Nd,Y)0.5 and their Gibbs energies were expressed with same function. Most of the binary intermetallic phases, except for Mg3Nd, were assumed to have no ternary solubility. The Mg3Nd and ternary compound β were treated as semistoichiometric compounds with mutual substitution between Nd and Y. Reasonable agreement of the phase equilibria in the Mg-Nd-Y ternary system between thermodynamic extrapolation and experiments was achieved

  19. Effects of the alloy compositions on the phonon-polaritons in ternary mixed crystals

    Institute of Scientific and Technical Information of China (English)

    BAO Jin; LIANG Xi-xia

    2008-01-01

    Composition dependence of bulk and surface phonon-polaritons in ternary mixed crystals are studied in the framework of the modified random-element-isodisplacement model and the Bom-Huang approximation. The numerical results for several Ⅱ - Ⅵ and Ⅲ-Ⅴ compound systems are performed, and the polariton frequencies as functions of the compositions for ternary mixed crystals AlxGa1-xAs, GaPxAs1-x, ZnSxSex-x, GaAsSb1-x, GaxIn1-xP, and ZnxCd1-xS as examples are given and discussed. The results show that the dependence of the energies of two branches of bulk phonon-polaritons which have phonon-like characteristics, and surface phonon-polaritons on the compositions of ternary mixed crystals are nonlinear and different from those of the corresponding binary systems.

  20. Interaction in ternary HgBr2-BaBr2-CsBr system

    International Nuclear Information System (INIS)

    Series of polythermal sections in ternary HgBr2-BaBr2-CsBr system are investigated by the methods of physicochemical analysis. In double systems restricting ternary HgBr2-BaBr2-CsBr system formation of CsHg2Br5, CsHgBr3, Cs2HgBr4, CsBa2Br4 and CsBa2Br5 compounds is detected. Projection of liquidus surface of ternary HgBr2-BaBr2-CsBr system on triangle of compositions is plotted. This projection consists of eight fields of the primary crystallization of phases: HgBr2, BaBr2, CsBr, CsHgBr5, CsHgBr3, Cs2HgBr4, Cs2BaBr4 and CsBa2Br5. Coordinates of nonvariant points are determined

  1. New ternary transition metal borides containing uranium and rare earth elements

    International Nuclear Information System (INIS)

    The new ternary actinide metal diborides U2MoB6, U2ReB6, U2OsB6, URuB4 and UOsB4 were prepared and found to crystallize with either the Y2ReB6 or the ThMoB4 type of structure. LuRuB4 and LuOsB4 crystallize with the YCrB4 type of structure. In a ternary series of solid solutions YRh3Bsub(1-x) (0 0C), boron was found to stabilize a Cu3Au type of structure. The superconductivity of the new uranium compounds and of a series of ternary transition metal borides was investigated; no superconductivity was observed for temperatures as low at 1.3-1.5 K. The cubic perovskite or filled Cu3Au structure is discussed as a type which is very unfavorable for the occurrence of superconductivity. (Auth.)

  2. Clinical studies with oral lipid based formulations of poorly soluble compounds

    DEFF Research Database (Denmark)

    Fatouros, Dimitrios; Karpf, Ditte M; Nielsen, Flemming S;

    2007-01-01

    . Several drug products intended for oral administration have been marketed utilizing lipid and surfactant based formulations. Sandimmune((R)) and Sandimmune Neoral((R)) (cyclosporin A, Novartis), Norvir((R)) (ritonavir), and Fortovase((R)) (saquinavir) have been formulated in self-emulsifying drug delivery...... properties on the in vivo performance of the formulation. Equally important is the effect of concurrent food intake on the bioavailability of poorly soluble compounds. The effect of food on the bioavailability of compounds formulated in lipid and surfactant based formulations is also reviewed....

  3. Microstructural Investigations On Ni-Ta-Al Ternary Alloys

    International Nuclear Information System (INIS)

    The Ni-Al-Ta ternary alloys in the Ni-rich part present complex microstructures. They are composed of multiple phases that are formed according to the nominal composition of the alloy, primary Ni(γ), Ni3Al(γ'), Ni6AlTa(τ3), Ni3Ta(δ) or in equilibrium: two solid phases (γ'-τ3), (τ3-δ), (τ3-γ), (γ-δ) or three solid phases (γ'-τ3-δ). The nature and the volume fraction of these phases give these alloys very interesting properties at high temperature, and this makes them attractive for specific applications. We have developed a series of ternary alloys in electric arc furnace, determining their solidification sequences using Differential Thermal Analysis (DTA), characterized by SEM-EDS, X-ray diffraction and by a microhardness tests. The follow-up results made it possible to make a correlation between the nature of the formed phases and their solidifying way into the Ni75AlxTay (x+y = 25at.%) system, which are varied and complex. In addition to the solid solution Ni (γ), the formed intermetallics compounds (γ', τ3 and δ) has been identified and correlated with a complex balance between phases.We noticed that the hardness increases with the tantalum which has a hardening effect and though the compound Ni3Ta(δ) is the hardest. The below results provide a better understanding of the complex microstructure of these alloys.

  4. Thermodynamic calculations in ternary titanium–aluminium–manganese system

    Directory of Open Access Journals (Sweden)

    ANA I. KOSTOV

    2008-04-01

    Full Text Available Thermodynamic calculations in the ternary Ti–Al–Mn system are shown in this paper. The thermodynamic calculations were performed using the FactSage thermochemical software and database, with the aim of determining thermodynamic properties, such as activities, coefficient of activities, partial and integral values of the enthalpies and Gibbs energies of mixing and excess energies at two different temperatures: 2000 and 2100 K. Bearing in mind that no experimental data for the Ti–Al–Mn ternary system have been obtained or reported. The obtained results represent a good base for further thermodynamic analysis and may be useful as a comparison with some future critical experimental results and thermodynamic optimization of this system.

  5. Ternary and quaternary antimonide devices for thermophotovoltaic applications

    Energy Technology Data Exchange (ETDEWEB)

    Hitchcock, C.W.; Gutmann, R.J.; Ehsani, H.; Bhat, I.B. [Rensselaer Polytechnic Inst., Troy, NY (United States). Center for Integrated Electronics and Electronics Manufacturing; Wang, C.A. [Massachusetts Inst. of Tech., Lexington, MA (United States). Lincoln Lab.; Freeman, M.J.; Charache, G.W. [Lockheed Martin, Inc., Schenectady, NY (United States)

    1998-06-01

    Thermophotovoltaic (TPV) devices have been fabricated using epitaxial ternary and quaternary layers grown on GaSb substrates. GaInSb ternary devices were grown by metalorganic vapor phase epitaxy (MOVPE) with buffer layers to accommodate the lattice mismatch, and GaInAsSb lattice-matched quaternaries were grown by MOVPE and by liquid phase epitaxy (LPE). Improved devices are obtained when optical absorption occurs in the p-layer due to the longer minority carrier diffusion length. Thick emitter p/n devices are limited by surface recombination, with highest quantum efficiency and lowest dark current being achieved with epitaxially grown surface passivation layers on lattice-matched MOVPE quaternaries. Thin emitter/thick base n/p devices are very promising, but require improved shallow high-quality n-type ohmic contacts.

  6. Experimental Investigation of Ternary Alloys for Fusion Breeding Blankets

    International Nuclear Information System (INIS)

    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.

  7. 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.

  8. Synthesis and luminescent properties of a Schiff-base-boron-quinacridone compound

    Institute of Scientific and Technical Information of China (English)

    YU DingYi; ZHAO YunFeng; ZHANG JingYing; WANG Yue

    2008-01-01

    A novel Schiff-base-boron-quinacridone compound (4) has been synthesized. The absorption and emission properties of 4 have been studied carefully. Experimental results demonstrated that the introduction of Schiff-base-boron moieties could suppress the aggregation of molecules 4 in solution and enhance the photoluminescent efficiency in relatively high concentration solution. The energy transfer from the Schiff-base-boron moieties to quinacridone cores could take place in 4 system.

  9. X-ray structure of the ternary MTX·NADPH complex of the anthrax dihydrofolate reductase: A pharmacophore for dual-site inhibitor design

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, Brad C.; Wan, Qun; Ahmad, Md Faiz; Langan, Paul; Dealwis, Chris G.; (Case Western); (LANL)

    2009-11-18

    For reasons of bioterrorism and drug resistance, it is imperative to identify and develop new molecular points of intervention against anthrax. Dihydrofolate reductase (DHFR) is a highly conserved enzyme and an established target in a number of species for a variety of chemotherapeutic programs. Recently, the crystal structure of B. anthracis DHFR (baDHFR) in complex with methotrexate (MTX) was determined and, based on the structure, proposals were made for drug design strategies directed against the substrate binding site. However, little is gleaned about the binding site for NADPH, the cofactor responsible for hydride transfer in the catalytic mechanism. In the present study, X-ray crystallography at 100 K was used to determine the structure of baDHFR in complex with MTX and NADPH. Although the NADPH binding mode is nearly identical to that seen in other DHFR ternary complex structures, the adenine moiety adopts an off-plane tilt of nearly 90 deg. and this orientation is stabilized by hydrogen bonds to functionally conserved Arg residues. A comparison of the binding site, focusing on this region, between baDHFR and the human enzyme is discussed, with an aim at designing species-selective therapeutics. Indeed, the ternary model, refined to 2.3{angstrom} resolution, provides an accurate template for testing the feasibility of identifying dual-site inhibitors, compounds that target both the substrate and cofactor binding site. With the ternary model in hand, using in silico methods, several compounds were identified which could potentially form key bonding contacts in the substrate and cofactor binding sites. Ultimately, two structurally distinct compounds were verified that inhibit baDHFR at low {mu}M concentrations. The apparent K{sub d} for one of these, (2-(3-(2-(hydroxyimino)-2-(pyridine-4-yl)-6,7-dimethylquinoxalin-2-yl)-1-(pyridine-4-yl)ethanone oxime), was measured by fluorescence spectroscopy to be 5.3 {mu}M.

  10. GPU-based beamformer: fast realization of plane wave compounding and synthetic aperture imaging.

    Science.gov (United States)

    Yiu, Billy Y S; Tsang, Ivan K H; Yu, Alfred C H

    2011-08-01

    Although they show potential to improve ultrasound image quality, plane wave (PW) compounding and synthetic aperture (SA) imaging are computationally demanding and are known to be challenging to implement in real-time. In this work, we have developed a novel beamformer architecture with the real-time parallel processing capacity needed to enable fast realization of PW compounding and SA imaging. The beamformer hardware comprises an array of graphics processing units (GPUs) that are hosted within the same computer workstation. Their parallel computational resources are controlled by a pixel-based software processor that includes the operations of analytic signal conversion, delay-and-sum beamforming, and recursive compounding as required to generate images from the channel-domain data samples acquired using PW compounding and SA imaging principles. When using two GTX-480 GPUs for beamforming and one GTX-470 GPU for recursive compounding, the beamformer can compute compounded 512 x 255 pixel PW and SA images at throughputs of over 4700 fps and 3000 fps, respectively, for imaging depths of 5 cm and 15 cm (32 receive channels, 40 MHz sampling rate). Its processing capacity can be further increased if additional GPUs or more advanced models of GPU are used. PMID:21859591

  11. Metabolomics-Based Screening of Biofilm-Inhibitory Compounds against Pseudomonas aeruginosa from Burdock Leaf

    Directory of Open Access Journals (Sweden)

    Zaixiang Lou

    2015-09-01

    Full Text Available Screening of anti-biofilm compounds from the burdock leaf based on metabolomics is reported here. The crystal violet assay indicated 34% ethanol elution fraction of burdock leaf could completely inhibit biofilm formation of Pseudomonas aeruginosa at 1 mg·mL−1. Then, the chemical composition of burdock leaf fraction was analyzed by ultra-performance liquid chromatography-mass spectrometry (UPLC-MS and 11 active compounds (chlorogenic acid, caffeic acid, p-coumaric acid, quercetin, ursolic acid, rutin, cynarin, luteolin, crocin, benzoic acid, and Tenacissoside I were identified. Lastly, UPLC-MS analysis was employed to obtain the metabolic fingerprints of burdock leaf fractions before and after inhibiting the biofilm of Pseudomonas aeruginosa. The metabolic fingerprints were transformed to data, analyzed with PLS-DA (partial least squares discriminant analysis and the peaks whose area was significantly changed were found out. Thus, 81 compounds were screened as potential anti-biofilm ingredients. Among them, rutin, ursolic acid, caffeic acid, p-coumaric acid and quercetin were identified and confirmed as the main anti-biofilm compounds in burdock leaf. The study provided basic anti-biofilm profile data for the compounds in burdock leaf, as well as provided a convenient method for fast screening of anti-biofilm compounds from natural plants.

  12. Thermodynamic properties and phase transitions of ternary Co-Cu-Si alloys with equiatomic Co/Cu ratio

    Science.gov (United States)

    Zhai, Wei; Hu, Liang; Zhou, Kai; Wei, Bingbo

    2016-04-01

    Different amounts of Si element were introduced into binary Co50Cu50 alloy to investigate the thermodynamic properties and phase transitions of ternary Co50-x/2Cu50-x/2Si x (x  =  10, 20, 30, 40 and 50 at%) alloys. Their liquidus and solidus temperatures versus Si content were determined by the differential scanning calorimetry (DSC) method. It was found that the addition of Si element depressed both the liquidus and solidus temperatures as compared with binary Co50Cu50 alloy. In particular, the additions of 10 and 20 at% Si remarkably reduced the critical undercooling for liquid demixing to only 3 and 1 K, whereas no liquid phase separation took place in other Co50-x/2Cu50-x/2Si x alloys. The relationship between the enthalpy of fusion and alloy composition was also established by a polynomial function on the basis of the measured data. The solidification microstructures of the DSC samples were investigated corresponding to the calorimetric signals, based on which the solidification pathway for each Co50-x/2Cu50-x/2Si x alloy was elucidated. The Si element displays stronger affinity with the Co element than the Cu element. As Si content rises, the pseudobinary eutectic (Co  +  Co2Si), (Co2Si  +  CoSi), (CoSi  +  CoSi2) and (Cu3Si  +  Si) structures were successively formed, and there were no ternary intermetallic compounds in these alloys. The thermal diffusivity of solid ternary Co50-x/2Cu50-x/2Si x alloys was determined by a laser flash method in a wide temperature range from 300 to 1180 K, which showed a decreasing tendency with the increase of Si content.

  13. Contact-based ligand-clustering approach for the identification of active compounds in virtual screening

    Directory of Open Access Journals (Sweden)

    Mantsyzov AB

    2012-09-01

    Full Text Available Alexey B Mantsyzov,1 Guillaume Bouvier,2 Nathalie Evrard-Todeschi,1 Gildas Bertho11Université Paris Descartes, Sorbonne, Paris, France; 2Institut Pasteur, Paris, FranceAbstract: Evaluation of docking results is one of the most important problems for virtual screening and in silico drug design. Modern approaches for the identification of active compounds in a large data set of docked molecules use energy scoring functions. One of the general and most significant limitations of these methods relates to inaccurate binding energy estimation, which results in false scoring of docked compounds. Automatic analysis of poses using self-organizing maps (AuPosSOM represents an alternative approach for the evaluation of docking results based on the clustering of compounds by the similarity of their contacts with the receptor. A scoring function was developed for the identification of the active compounds in the AuPosSOM clustered dataset. In addition, the AuPosSOM efficiency for the clustering of compounds and the identification of key contacts considered as important for its activity, were also improved. Benchmark tests for several targets revealed that together with the developed scoring function, AuPosSOM represents a good alternative to the energy-based scoring functions for the evaluation of docking results.Keywords: scoring, docking, virtual screening, CAR, AuPosSOM

  14. All Spin Artificial Neural Networks Based on Compound Spintronic Synapse and Neuron.

    Science.gov (United States)

    Zhang, Deming; Zeng, Lang; Cao, Kaihua; Wang, Mengxing; Peng, Shouzhong; Zhang, Yue; Zhang, Youguang; Klein, Jacques-Olivier; Wang, Yu; Zhao, Weisheng

    2016-08-01

    Artificial synaptic devices implemented by emerging post-CMOS non-volatile memory technologies such as Resistive RAM (RRAM) have made great progress recently. However, it is still a big challenge to fabricate stable and controllable multilevel RRAM. Benefitting from the control of electron spin instead of electron charge, spintronic devices, e.g., magnetic tunnel junction (MTJ) as a binary device, have been explored for neuromorphic computing with low power dissipation. In this paper, a compound spintronic device consisting of multiple vertically stacked MTJs is proposed to jointly behave as a synaptic device, termed as compound spintronic synapse (CSS). Based on our theoretical and experimental work, it has been demonstrated that the proposed compound spintronic device can achieve designable and stable multiple resistance states by interfacial and materials engineering of its components. Additionally, a compound spintronic neuron (CSN) circuit based on the proposed compound spintronic device is presented, enabling a multi-step transfer function. Then, an All Spin Artificial Neural Network (ASANN) is constructed with the CSS and CSN circuit. By conducting system-level simulations on the MNIST database for handwritten digital recognition, the performance of such ASANN has been investigated. Moreover, the impact of the resolution of both the CSS and CSN and device variation on the system performance are discussed in this work. PMID:27214913

  15. Polysulfide compounds as inhibitors of the key base excision repair enzymes

    Directory of Open Access Journals (Sweden)

    Salakhutdinov N. F.

    2012-06-01

    Full Text Available Aim. To increase the capacity of antitumor therapy based on DNA damage it is important to minimize the repair of DNA lesions that can be achieved by inhibiting the activity of key DNA repair enzymes. To this end several benzopentathiepine and benzo[1,3]dithiol derivatives were synthesized and tested as inhibitors of the key base excision repair (BER enzymes, PARP1, DNA polymerase β, and APE1. Methods. The procedure of synthesis of several new compounds was developed. The inhibitory capacity of the compounds was estimated by comparison of the enzyme activities in specific tests in the presence of compounds versus their absence. Results. Benzopentathiepine derivative bearing trifluoromethyl group at the 1st position was shown to be a weak inhibitor of PARP1. Cyclic substituents at the 1st position attached through amide bond bring about moderate enhancement of pol β inhibition. Each studied substituent at the 1st position considerably increases the inhibition of APE1-catalyzed hydrolysis of AP sites as compared to parent compound. Conclusions. Several new inhibitors of BER enzymes were revealed. The directions for further modification of compounds to improve their inhibitory activity were found out.

  16. Ab-initio modeling of an anion $C_{60}^-$ pseudopotential for fullerene-based compounds

    CERN Document Server

    Vrubel, I I; Ivanov, V K

    2015-01-01

    A pseudopotential of $C_{60}^-$ has been constructed from ab-initio quantum-mechanical calculations. Since the obtained pseudopotential can be easily fitted by rather simple analytical approximation it can be effectively used both in classical and quantum molecular dynamics of fullerene-based compounds.

  17. Realizing Ternary Logic in FPGAs for SWL DSP Systems

    Directory of Open Access Journals (Sweden)

    Tayeb Din

    2013-07-01

    Full Text Available Recently SWL (Short Word Length DSP (Digital Signal Processing applications has been proposed to overcome multiplier complexity that is evident in most of the digital applications. These SWL applications have been processed through sigma-delta modulation as a key element. For such applications, adder design plays vital role and can impact upon the chip area and its performance. In this paper, a ternary approach for adder tree has been proposed instead of binary that can accommodate more data with less chip-area at the cost of extra pin. The proposed ternary adder tree has been designed and developed in Quartus-II using three different design strategies namely T-gate (Ternary gate, LUT (Look Up Table and algebraic equations. Through rigorous simulation it was found that T-gate technique results in superior performance, an average of 23.5 and 33% improvement compared to the same adder structure based on Boolean Algebraic Equation and LUT, respectively. The proposed adder design would benefit the efficient implementation of SWL applications.

  18. Design of optical interconnects inspired in multi-aperture optics based in compound insect eyes

    Science.gov (United States)

    Garza-Rivera, Anel; Trevino-Palacios, Carlos G.; Renero-Carrillo, Francisco J.

    2012-06-01

    Optical interconnection at high-speed and large-capacity transmission of data has the advantage of conveying information at large bandwidths in free space with less crosstalk than electronics. We propose here the design of micro-optical devices based in the multi-aperture compound insect eyes that will transfer a signal as a freespace multichannel point-to-point interconnection. These designs are inspired in the configuration of the superposition refractive compound eye as Gabor superlens by means of the implementation of microlens arrays. In our configuration the design equations, simulations, and optical performance are shown.

  19. Soft X-Ray Spectroscopic Study of Fullerene Based Transition-Metal Compounds and Related Systems

    OpenAIRE

    Qian, Limin

    2001-01-01

    This thesis addresses the electronic and geometric structures of fullerene based transition-metal compounds and other related systems. The formation of TixC60, VxC60 and NbxC60 compounds has been examined by X-ray photoelectron, soft X-ray absorption and emission and spectroscopy techniques, including resonant inelastic X-ray scattering (RIXS). The symmetry and character of the chemical bond of transition metal-fulleride has been determined. A related study of single-walled carbon nanotubes i...

  20. Single crystal growth of europium and ytterbium based intermetallic compounds using metal flux technique

    Indian Academy of Sciences (India)

    Sumanta Sarkar; Sebastian C Peter

    2012-11-01

    This article covers the use of indium as a potential metal solvent for the crystal growth of europium and ytterbium-based intermetallic compounds. A brief view about the advantage of metal flux technique and the use of indium as reactive and non-reactive flux are outlined. Large single crystals of EuGe2, EuCoGe3 and Yb2AuGe3 compounds were obtained in high yield from the reactions of the elements in liquid indium. The results presented here demonstrate that considerable advances in the discovery of single crystal growth of complex phases are achievable utilizing molten metals as solvents.

  1. SEASONAL CHANGES IN THE REDUCTION OF BIOGENIC COMPOUNDS IN WASTEWATER TREATMENT PLANTS BASED ON HYDROPONIC TECHNOLOGY

    OpenAIRE

    Aleksandra Bawiec; Katarzyna Pawęska; Krzysztof Pulikowski

    2016-01-01

    The study presents the results of the treatment of domestic and industrial wastewater with respect to the reduction of nitrogen and phosphorus compounds. The analysis encompasses the results of physical and chemical tests of effluents from two facilities based on hydroponic technology: wastewater treatment plants with hydroponic lagoons using the BIOPAX technology – Paczków, Poland and the Organica technology – Szarvas, Hungary. Monthly treatment effectiveness was determined basing on these a...

  2. Evaluation of a new coprocessed compound based on lactose and maize starch for tablet formulation

    OpenAIRE

    Hauschild, Karsten; Picker, Katharina M.

    2004-01-01

    The development of new direct compression excipients should include a comprehensive and rapid determination of deformation properties. The aim of this study was to characterize StarLac, a new coprocessed compound for direct compression based on lactose and maize starch. For this purpose, the effects of the base materials (maize starch and spraydried lactose) were considered and the influence of the spray-drying process was investigated. This was performed by comparing the physical mixture of ...

  3. Research of Compound Control for DC Motor System Based on Global Sliding Mode Disturbance Observer

    OpenAIRE

    2014-01-01

    Aiming at the problems of modeling errors, parameter variations, and load moment disturbances in DC motor control system, one global sliding mode disturbance observer (GSMDO) is proposed based on the global sliding mode (GSM) control theory. The output of GSMDO is used as the disturbance compensation in control system, which can improve the robust performance of DC motor control system. Based on the designed GSMDO in inner loop, one compound controller, composed of a feedback controller and a...

  4. Carbon Nanomaterials Based Electrochemical Sensors/Biosensors for the Sensitive Detection of Pharmaceutical and Biological Compounds

    OpenAIRE

    Bal-Ram Adhikari; Maduraiveeran Govindhan; Aicheng Chen

    2015-01-01

    Electrochemical sensors and biosensors have attracted considerable attention for the sensitive detection of a variety of biological and pharmaceutical compounds. Since the discovery of carbon-based nanomaterials, including carbon nanotubes, C60 and graphene, they have garnered tremendous interest for their potential in the design of high-performance electrochemical sensor platforms due to their exceptional thermal, mechanical, electronic, and catalytic properties. Carbon nanomaterial-based el...

  5. Growing high-quality ternary CdMnTe epilayers by molecular beam epitaxy on Si substrates and its mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jyh-Shyang, E-mail: jswang@cycu.edu.tw [Department of Physics, Chung Yuan Christian University, Taoyuan City 32023, Taiwan (China); Center for Nano-Technology, Chung Yuan Christian University, Taoyuan City 32023, Taiwan (China); Tong, Shih-Chang; Tsai, Yu-Hsuan; Tsai, Wei-jiun [Department of Physics, Chung Yuan Christian University, Taoyuan City 32023, Taiwan (China); Yang, Chu-Shou; Chang, Yi-Hsin [Graduate Institute of Electro-Optical Engineering, Tatung University, Taipei 10452, Taiwan (China); Cheng, Yung-Chen [Department of Materials Science, National University of Tainan, Tainan 70005, Taiwan (China); Wu, Chih-Hung [Institute of Nuclear Energy Research, Longtan 32546, Taiwan (China); Yuan, Chi-Tsu; Shen, Ji-Lin [Department of Physics, Chung Yuan Christian University, Taoyuan City 32023, Taiwan (China); Center for Nano-Technology, Chung Yuan Christian University, Taoyuan City 32023, Taiwan (China)

    2015-10-15

    Cd(Mn,Zn)Te-based ternary compound semiconductors with wide band-gaps are important in the detection of radiation and photovoltaic applications. This study characterizes Cd{sub 1-x}Mn{sub x}Te epilayers on Si substrates with various Mn compositions grown by molecular beam epitaxy. The surface smoothness, crystallinity and optical quality all are significantly improved with increasing Mn content. The Cd{sub 0.61}Mn{sub 0.39}Te epilayer with a thickness of only about 500 nm yields a full width at half maximum of the X-ray rocking curve of 165 arcsec. Photoluminescence spectra at 10 K show that the intensity of defect-related emissions is much lower than that of binary CdTe epilayers, reaching zero from the samples with high Mn content, while the integral intensity of the exciton-related emissions is increased by more than two orders of magnitude. Raman scattering spectra reveal that the intensity of the Te–Te related defect vibration modes falls significantly as the Mn content increase, even disappearing altogether in the samples with high Mn content. This work proposes that incorporating Mn atoms during epitaxial growth can promote the decomposition of Te{sub 2} sources, owing to the high sticking coefficient of Mn and the high cohesive energy of the Mn–Te bond, and then reduce the number of Te–Te related stacking fault defects, yielding high-quality CdMnTe epilayers. Our results herein demonstrate that the CdMnTe ternary epilayers are much more promising in terms of material quality than the CdZnTe ternary epilayers. - Highlights: • High-quality ternary CdMnTe were grown on Si substrates by molecular beam epitaxy. • The material qualities were significantly improved with increasing Mn content. • The Te–Te related defects were greatly reduced with increasing Mn content. • We report an enhanced growth of CdTe-based epilayers by the incorporation of Mn atoms.

  6. Syntheses and Supramolecular Structures of Two Nickel(Ⅱ) Compounds Based on Two Thiosemicarbazone Ligands

    Institute of Scientific and Technical Information of China (English)

    LI Cheng-juan; FENG Ze-jing; ZHAO Xiao-juan; WANG Su-na; DOU Jian-min

    2013-01-01

    Two new compounds,[Ni2(L1)(Py)6]Py·CH3OH(1) and [Ni3(L2)2(Py)4]·2DMF(2)(H4L1=N,N'-bisalicylbisthiocarbamide; H3L2=3-hydroxyl-2-naphthalene thiosemicarbazide; Py=pyridine; DMF=dimethyl fumarate),based upon two thiosemicarbazone ligands have been obtained and characterized by elemental analysis,Fourier transform infrared(FTIR) and X-ray diffraction(XRD).Compound 1 possesses a binuclear cluster,in which the bisalicylbisthiocarbamide acts as a hexadentate bridge.Compound 2 exhibits a linear trinuclear cluster with the triply-deprotonated ligand acting as pentadentate bridge.C—H…O,C—H…π and C—H…S weak interactions further link these molecules to form interesting supramolecular networks.

  7. In silico structure-based design and synthesis of novel anti-RSV compounds.

    Science.gov (United States)

    Cancellieri, Michela; Bassetto, Marcella; Widjaja, Ivy; van Kuppeveld, Frank; de Haan, Cornelis A M; Brancale, Andrea

    2015-10-01

    Respiratory syncytial virus (RSV) is the major cause for respiratory tract disease in infants and young children. Currently, no licensed vaccine or a selective antiviral drug against RSV infections are available. Here, we describe a structure-based drug design approach that led to the synthesis of a novel series of zinc-ejecting compounds active against RSV replication. 30 compounds, sharing a common dithiocarbamate moiety, were designed and prepared to target the zinc finger motif of the M2-1 protein. A library of ∼ 12,000 small fragments was docked to explore the area surrounding the zinc ion. Among these, seven ligands were selected and used for the preparation of the new derivatives. The results reported here may help the development of a lead compound for the treatment of RSV infections. PMID:26259810

  8. Cyclotriveratrylene-BINOL-Based Host Compounds: Synthesis, Absolute Configuration Assignment, and Recognition Properties.

    Science.gov (United States)

    Lefevre, Sara; Héloin, Alexandre; Pitrat, Delphine; Mulatier, Jean-Christophe; Vanthuyne, Nicolas; Jean, Marion; Dutasta, Jean-Pierre; Guy, Laure; Martinez, Alexandre

    2016-04-15

    New host compounds combining a cyclotriveratrylene (CTV) unit and three binaphthol moieties have been synthesized enantiomerically and diastereomerically pure. The use of a chemical correlation allows for the assignment of their absolute configuration. The energy barrier of epimerization was measured, suggesting that no intramolecular hydrogen bonding occurs between the hydroxyl groups of the binaphthols. These open-shell host compounds were then tested in the recognition of carbohydrates; a preferential binding of mannose toward glucose was observed, and good diastereoselectivities were reached (up to 1:10). This recognition of sugar derivatives by open-shell CTV-based host compounds is unprecedented and opens up the way for a wider use of this easily accessible class of molecules as chiral sensors. PMID:27010215

  9. Experimental investigation of phase equilibria in the Cu–Ni–Si ternary system

    International Nuclear Information System (INIS)

    Highlights: •Three isothermal sections of the Cu–Ni–Si system have been investigated. •The ternary compound τ1 and the liquid phase are confirmed at 1073 K. •The γ (Cu5Si) and θ (Ni2Si) phases can be stabilized at higher or lower temperatures. -- Abstract: The phase equilibria in the Cu–Ni–Si ternary system have been investigated experimentally by means of electron probe microanalysis (EPMA), X-ray diffraction (XRD) and differential scanning calorimetry (DSC) analysis on equilibrated ternary alloys. Three isothermal sections at 1073, 1173 and 1273 K are determined in the whole composition range. The existence of liquid phase and the ternary compound τ1 is confirmed at 1073 K. The binary γ (Cu5Si), γ (Ni31Si12), δ (Ni2Si) and θ (Ni2Si) phases exhibit a considerable solubility of a third element. In addition, the γ (Cu5Si) and θ (Ni2Si) phases can be stabilized by the addition of Ni and Cu, respectively

  10. The ternary system holmium-boron-carbon; isothermal section at 15000C

    International Nuclear Information System (INIS)

    The phase equilibria in the ternary system holmium-boron-carbon have been investigated in the isothermal section at 15000C. Samples were prepared by arc melting and subsequent annealing for 100 h under argon atmosphere at 1773 K. In addition to the already known phases two new carbides, Ho15C19 and Ho5C6, and five new ternary compounds HoBC, Ho2BC3, Ho5B2C5, Ho5B2C6 and Ho15B2C17, were identified. HoBC and Ho2BC3 present both low- and high-temperature modifications. The crystal structures were determined for the phases HoBC (h.t.), Ho15C19, Ho5B2C5, Ho5B2C6. For the other new compounds the unit-cell dimensions are given. The formation of the ternary Ho15B2C17 explains by boron substitution the observed stabilization at high temperatures of the RE15C19 structures. The isothermal section at 1773 K of the ternary phase diagram is presented. (Auth.)

  11. Realizing ternary quantum switching networks without ancilla bits

    International Nuclear Information System (INIS)

    This paper investigates the synthesis of quantum networks built to realize ternary switching circuits in the absence of ancilla bits. The results we established are twofold. The first shows that ternary Swap, ternary NOT and ternary Toffoli gates are universal for the realization of arbitrary n x n ternary quantum switching networks without ancilla bits. The second result proves that all n x n quantum ternary networks can be generated by NOT, Controlled-NOT, Multiply-Two and Toffoli gates. Our approach is constructive

  12. Multifractal entropy based adaptive multiwavelet construction and its application for mechanical compound-fault diagnosis

    Science.gov (United States)

    He, Shuilong; Chen, Jinglong; Zhou, Zitong; Zi, Yanyang; Wang, Yanxue; Wang, Xiaodong

    2016-08-01

    Compound-fault diagnosis of mechanical equipment is still challenging at present because of its complexity, multiplicity and non-stationarity. In this work, an adaptive redundant multiwavelet packet (ARMP) method is proposed for the compound-fault diagnosis. Multiwavelet transform has two or more base functions and many excellent properties, making it suitable for detecting all the features of compound-fault simultaneously. However, on the other hand, the fixed basis function used in multiwavelet transform may decrease the accuracy of fault extraction; what's more, the multi-resolution analysis of multiwavelet transform in low frequency band may also leave out the useful features. Thus, the minimum sum of normalized multifractal entropy is adopted as the optimization criteria for the proposed ARMP method, while the relative energy ratio of the characteristic frequency is utilized as an effective way in automatically selecting the sensitive frequency bands. Then, The ARMP technique combined with Hilbert transform demodulation analysis is then applied to detect the compound-fault of bevel gearbox and planetary gearbox. The results verify that the proposed method can effectively identify and detect the compound-fault of mechanical equipment.

  13. Investigations of environmentally benign pyrotechnic formulations based on nitrogen-rich and energetic boron-based compounds

    OpenAIRE

    Rusan, Magdalena

    2014-01-01

    Novel non-toxic and environmentally friendly pyrotechnic formulations have been developed and investigated. A series of nitrogen-rich metal salts and energetic boron-based compounds have been synthesized, characterized and tested as red, green and blue colorants in pyrotechnic compositions.

  14. Research on the image fusion and target extraction based on bionic compound eye system

    Science.gov (United States)

    Zhang, Shaowei; Hao, Qun; Song, Yong; Wang, Zihan; Zhang, Kaiyu; Zhang, Shiyu

    2015-08-01

    People attach more and more importance to bionic compound eye due to its advantages such as small volume, large field of view and sensitivity to high-speed moving objects. Small field of view and large volume are the disadvantages of traditional image sensor and in order to avoid these defects, this paper intends to build a set of compound eye system based on insect compound eye structure and visual processing mechanism. In the center of this system is the primary sensor which has high resolution ratio. The primary sensor is surrounded by the other six sensors which have low resolution ratio. Based on this system, this paper will study the target image fusion and extraction method by using plane compound eye structure. This paper designs a control module which can combine the distinguishing features of high resolution image with local features of low resolution image so as to conduct target detection, recognition and location. Compared with traditional ways, the way of high resolution in the center and low resolution around makes this system own the advantages of high resolution and large field of view and enables the system to detect the object quickly and recognize the object accurately.

  15. Selective adsorption for removal of nitrogen compounds from hydrocarbon streams over carbon-based adsorbents

    Science.gov (United States)

    Almarri, Masoud S.

    The ultimate goal of this thesis is to develop a fundamental understanding of the role of surface oxygen functional groups on carbon-based adsorbents in the adsorption of nitrogen compounds that are known to be present in liquid fuels. N2 adsorption was used to characterize pore structures. The surface chemical properties of the adsorbents were characterized by X-ray photoelectron spectroscopy (XPS) and temperature-programmed desorption (TPD) techniques with a mass spectrometer to identify and quantify the type and concentration of oxygen functional groups on the basis of CO2 and CO evolution profiles. It was found that although surface area and pore size distribution are important for the adsorption process, they are not primary factors in the adsorption of nitrogen compounds. On the other hand, both the type and concentration of surface oxygen-containing functional groups play an important role in determining adsorptive denitrogenation performance. Higher concentrations of the oxygen functional groups on the adsorbents resulted in a higher adsorption capacity for the nitrogen compounds. A fundamental insight was gained into the contributions of different oxygen functional groups by analyzing the changes in the monolayer maximum adsorption capacity, qm, and the adsorption constant, K, for nitrogen compounds on different activated carbons. Acidic functional groups such as carboxylic acids and carboxylic anhydrides appear to contribute more to the adsorption of quinoline, while the basic oxygen functional groups such as carbonyls and quinones enhance the adsorption of indole. Despite the high number of publications on the adsorptive desulfurization of liquid hydrocarbon fuels, these studies did not consider the presence of coexisting nitrogen compounds. It is well-known that, to achieve ultraclean diesel fuel, sulfur must be reduced to a very low level, where the concentrations of nitrogen and sulfur compounds are comparable. The adsorptive denitrogenation and

  16. Multi-view 3D echocardiography compounding based on feature consistency

    Energy Technology Data Exchange (ETDEWEB)

    Yao Cheng; Schaeffter, Tobias; Penney, Graeme P [Division of Imaging Sciences and Biomedical Engineering, King' s College London (United Kingdom); Simpson, John M, E-mail: cheng.yao@kcl.ac.uk [Department of Congenital Heart Disease, Evelina Children' s Hospital, London (United Kingdom)

    2011-09-21

    Echocardiography (echo) is a widely available method to obtain images of the heart; however, echo can suffer due to the presence of artefacts, high noise and a restricted field of view. One method to overcome these limitations is to use multiple images, using the 'best' parts from each image to produce a higher quality 'compounded' image. This paper describes our compounding algorithm which specifically aims to reduce the effect of echo artefacts as well as improving the signal-to-noise ratio, contrast and extending the field of view. Our method weights image information based on a local feature coherence/consistency between all the overlapping images. Validation has been carried out using phantom, volunteer and patient datasets consisting of up to ten multi-view 3D images. Multiple sets of phantom images were acquired, some directly from the phantom surface, and others by imaging through hard and soft tissue mimicking material to degrade the image quality. Our compounding method is compared to the original, uncompounded echocardiography images, and to two basic statistical compounding methods (mean and maximum). Results show that our method is able to take a set of ten images, degraded by soft and hard tissue artefacts, and produce a compounded image of equivalent quality to images acquired directly from the phantom. Our method on phantom, volunteer and patient data achieves almost the same signal-to-noise improvement as the mean method, while simultaneously almost achieving the same contrast improvement as the maximum method. We show a statistically significant improvement in image quality by using an increased number of images (ten compared to five), and visual inspection studies by three clinicians showed very strong preference for our compounded volumes in terms of overall high image quality, large field of view, high endocardial border definition and low cavity noise.

  17. Structural and physical properties of new uranium and transition element ternary stannides (Fe, Co, Ni, Ru, Rh, Pd, Ir, Pt)

    International Nuclear Information System (INIS)

    This work is dedicated to the study of ternary stannides based on uranium. The author reviews the structural, magnetic and electric properties of different families of stannides. The study of the U2M2Sn family where M stands for Fe, Co, Ni, Ru, Rh, Pd, Ir and Pt shows that the magnetic behaviour of uranium in these compounds is strongly influenced by the transition element M, which is explained by the hybridization force 5f(U) - nd(M) that depends on the number of electrons on the d shell of the M element. For instance, for the elements whose d shell is low filled (Fe, Ru), the U2M2Sn stannides show no magnetic order. On the other hand, when the number of d-electrons increases, a magnetic order appears progressively

  18. 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.

  19. Synthesis and characterization of a novel stationary phase, Si-Zr/Ti(PMTDS), based upon ternary oxide support for high performance liquid chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Amparo, Maura R.; Marques, Fabiana A.; Faria, Anizio M., E-mail: anizio@pontal.ufu.br [Universidade Federal de Uberlandia (FACIP/UFU), Ituiutaba, MG (Brazil). Faculdade de Ciencias Integradas do Pontal

    2013-09-15

    A new stationary phase based on the thermal immobilization of poly(methyltetradecylsiloxane) (PMTDS) on silica particles coated with a mixture of zirconia and titania was prepared and evaluated for the chromatographic separation of test mixtures. The spherical particles were characterized by elemental analysis, SEM, FTIR and {sup 29}Si NMR. The physicochemical properties of PMTDS phase supported on Si-Zr/Ti were intermediate between PMTDS phases supported on titanized silica and zirconized silica. The chromatographic performance of Si-Zr/Ti(PMTDS) phase was similar to PMTDS phases based on metal oxide coated silica having only one metal oxide and the preparation of a Si-Zr/Ti(PMTDS) phase allowed evaluation of the effect of each oxide, zirconia and titania, on the separation process and on the stability of the immobilized polymer phase. The hydrolytic stability of Si-Zr/Ti(PMTDS) stationary phase was similar to the Si-Ti(PMTDS) phase, improving the chemical stability of the silica-based PMTDS phase by about 100%. (author)

  20. Electroless ternary NiCeP coatings: Preparation and characterisation

    International Nuclear Information System (INIS)

    Highlights: ► Rare earth element (Ce) has been successfully codeposited in NiP matrix. ► Surface analysis carried out by XPS showed that the Ce is present in +3 and +4 oxidation state. ► Palladium stability test indicated that the Ce salts in electroless nickel bath has reduced the stability. ► Cerium codeposition in NiP matrix has increased the microhardness both in as-plated and annealed conditions. ► Higher thermal stability has been obtained by Ce incorporation. - Abstract: Electroless ternary NiCeP deposits were prepared from alkaline citrate bath containing nickel sulphate, cerium chloride and sodium hypophosphite. Concentration of rare earth cerium was varied from 1 to 2 g/L to obtain ternary deposits containing variable Ce and P contents. The influence of cerium on the deposit properties was analysed. The deposit exhibited a maximum cerium content of 6.2 ± 0.1 wt.% when the cerium chloride concentration was 2 g/L. The result of the Pd stability test showed that the stability of the bath was reduced due to Ce salt addition. The microhardness measurements made on both as-plated and heat treated samples exhibited a peak hardness of 1006 ± 11 VHN for cerium concentration of 1.5 g/L. The concept of kinetic strength analysis was proved to be applicable only for binary and not for ternary alloys due to multistep deposition mechanism with different kinetic energies. X-ray diffraction (XRD) patterns of as-plated and heat treated samples revealed peaks corresponding to Ni (1 1 1) and nickel phosphide (Ni3P). Higher amount of Ce incorporation in NiP matrix increased the crystallisation temperature of the deposit which could be due to the suppression of nickel crystallisation prior to Ni3P compound formation and thus increasing the activation energy for the formation of stable phases. Surface compositional analysis using X-ray photoelectron spectroscopy (XPS) carried out on as-plated NiCeP-2 deposit showed a prominent peak of P existing in +1 oxidation

  1. Electroless ternary NiCeP coatings: Preparation and characterisation

    Energy Technology Data Exchange (ETDEWEB)

    Balaraju, J.N., E-mail: jnbalraj@nal.res.in [Surface Engineering Division, CSIR National Aerospace Laboratories, Post Bag No. 1779 Bangalore 560017, Karnataka (India); Chembath, Manju [Surface Engineering Division, CSIR National Aerospace Laboratories, Post Bag No. 1779 Bangalore 560017, Karnataka (India)

    2012-10-01

    Highlights: Black-Right-Pointing-Pointer Rare earth element (Ce) has been successfully codeposited in NiP matrix. Black-Right-Pointing-Pointer Surface analysis carried out by XPS showed that the Ce is present in +3 and +4 oxidation state. Black-Right-Pointing-Pointer Palladium stability test indicated that the Ce salts in electroless nickel bath has reduced the stability. Black-Right-Pointing-Pointer Cerium codeposition in NiP matrix has increased the microhardness both in as-plated and annealed conditions. Black-Right-Pointing-Pointer Higher thermal stability has been obtained by Ce incorporation. - Abstract: Electroless ternary NiCeP deposits were prepared from alkaline citrate bath containing nickel sulphate, cerium chloride and sodium hypophosphite. Concentration of rare earth cerium was varied from 1 to 2 g/L to obtain ternary deposits containing variable Ce and P contents. The influence of cerium on the deposit properties was analysed. The deposit exhibited a maximum cerium content of 6.2 {+-} 0.1 wt.% when the cerium chloride concentration was 2 g/L. The result of the Pd stability test showed that the stability of the bath was reduced due to Ce salt addition. The microhardness measurements made on both as-plated and heat treated samples exhibited a peak hardness of 1006 {+-} 11 VHN for cerium concentration of 1.5 g/L. The concept of kinetic strength analysis was proved to be applicable only for binary and not for ternary alloys due to multistep deposition mechanism with different kinetic energies. X-ray diffraction (XRD) patterns of as-plated and heat treated samples revealed peaks corresponding to Ni (1 1 1) and nickel phosphide (Ni{sub 3}P). Higher amount of Ce incorporation in NiP matrix increased the crystallisation temperature of the deposit which could be due to the suppression of nickel crystallisation prior to Ni{sub 3}P compound formation and thus increasing the activation energy for the formation of stable phases. Surface compositional analysis

  2. Properties and peculiar features of application of isoelectronically doped A2B6 compound based scintillators

    International Nuclear Information System (INIS)

    Among 26 compounds, zinc selenide and zinc sulfide crystals are, due to their physico-chemical properties, the best optimized matrices for creation of luminescent materials with output parameters characterizing them as efficient scintillators (highlight output, fast response, high radiation stability, etc.). The first successful experience in this direction was the development of scintillator ZnSe (Te), which has been already shown to be one of the most suitable materials for low-energy X-ray introscopy. With the aim of expanding the application fields of ZnSe and ZnS-based scintillators, we have studied the detect formation processes and luminescent properties if zinc selenide and zinc sulfide crystals doped with anionic (Zn, Cd, Hg) and cationic (O, S, Te) isoelectron dopants (IED). Data are presented on the effect of oxygen, cadmium, tellurium and sulphur upon spectral-kinetic luminescence characteristics of A2B6 compound based scintillator crystals

  3. Elliptic curves and positive definite ternary forms

    Institute of Scientific and Technical Information of China (English)

    WANG; Xueli(

    2001-01-01

    [1]Pei Dingyi, Rosenberger, G. , Wang Xueli, The eligible numbers of positive definite ternary forms, Math. Zeitschriften,2000, 235: 479-497.[2]Wang Xueli, Pei Dingyi, Modular forms of 3/2 weight and one conjecture of Kaplansky, preprint.[3]Jones, B., The regularity of a genus of positive ternary quadratic forms, Trans. Amer. Math. Soc., 1931, 33: 111-124.[4]Kaplansky, I., The first nontrivial genus of positive definite ternary forms, Math. Comp., 1995, 64: 341-345.[5]Antoniadis, J. A., Bungert, M., Frey, G., Properties of twists of elliptic curves, J. Reine Angew Math., 1990, 405: 1-28.

  4. Photophysical study of blue-light excitable ternary Eu(III) complexes and their encapsulation into polystyrene nanoparticles

    International Nuclear Information System (INIS)

    In this work, 14 ternary Eu(III) complexes were studied by means of spectroscopy. The studied Eu(III) complexes consisted of Lewis bases (4′-(4-diethylaminophenyl)-2,2′:6′,2″-terpyridine (L8) or 1,10-phenanthroline (L9)) and differently substituted β-diketones. The ternary complexes with L8 show the excitation peak at 405 nm and the quantum yield even 76%. The brightest ternary complex at the 405 nm excitation was Eu(L3)3L8 while Eu(L7)3L8 (HL3=4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione, HL7=1-(9-ethyl-9H-carbazol-3-yl)-4,4,5,5,5-pentafluoro-1,3-pentanedione) was found to be the brightest at the ligand-centred excitation maximum. The ternary complexes were studied mainly in toluene as the model environment for the polystyrene nanoparticle cavities. The complexes were successfully loaded into the polystyrene nanoparticles enabling their bioanalytical application in aqueous environment. The encapsulation of the complexes preserved, or even enhanced, their good photophysical features. - Highlights: • Ternary Eu3+ complexes with some β-diketone and substituted terpyridine were studied. • Ternary complexes with substituted terpyridine showed blue-light excitability. • Ternary complexes were successfully loaded into the polystyrene nanoparticles. • Encapsulation of the complexes preserved their good photophysical features

  5. Constitution and structure chemistry of the ternary metal-silicon-nitrogen systems (ME = Al, Mn, Fe, Co, Ni, Cu, Zn, Ru, In, Sn, Sb, Tl, Pb, Bi, Ce)

    International Nuclear Information System (INIS)

    The ternary systems Me-Si-N, ME = Al, Mn, Fe, Co, Ni, Cu, Zn, Ru, In, Sn, Sb, Tl, Pb, Bi, Ce were investigated on annealed powder samples by X-ray analysis. In isothermal cuts the thermodynamic equilibria were determined. No ternary compounds were found in the temperature- and pressure range considered except Mn-Si-N. 18 refs., 11 figs., 11 tabs. (qui)

  6. Computational development of rubromycin-based lead compounds for HIV-1 reverse transcriptase inhibition.

    Science.gov (United States)

    Bernardo, Carlos E P; Silva, Pedro J

    2014-01-01

    The binding of several rubromycin-based ligands to HIV1-reverse transcriptase was analyzed using molecular docking and molecular dynamics simulations. MM-PBSA analysis and examination of the trajectories allowed the identification of several promising compounds with predicted high affinity towards reverse transcriptase mutants which have proven resistant to current drugs. Important insights on the complex interplay of factors determining the ability of ligands to selectively target each mutant have been obtained. PMID:25071993

  7. Computational development of rubromycin-based lead compounds for HIV-1 reverse transcriptase inhibition

    OpenAIRE

    Bernardo, Carlos E. P.; Silva, Pedro J.

    2014-01-01

    The binding of several rubromycin-based ligands to HIV1-reverse transcriptase was analyzed using molecular docking and molecular dynamics simulations. MM-PBSA analysis and examination of the trajectories allowed the identification of several promising compounds with predicted high affinity towards reverse transcriptase mutants which have proven resistant to current drugs. Important insights on the complex interplay of factors determining the ability of ligands to selectively target each mutan...

  8. Computational development of rubromycin-based lead compounds for HIV-1 reverse transcriptase inhibition

    Directory of Open Access Journals (Sweden)

    Carlos E.P. Bernardo

    2014-07-01

    Full Text Available The binding of several rubromycin-based ligands to HIV1-reverse transcriptase was analyzed using molecular docking and molecular dynamics simulations. MM-PBSA analysis and examination of the trajectories allowed the identification of several promising compounds with predicted high affinity towards reverse transcriptase mutants which have proven resistant to current drugs. Important insights on the complex interplay of factors determining the ability of ligands to selectively target each mutant have been obtained.

  9. Standard Test Method for Preparing Aircraft Cleaning Compounds, Liquid Type, Water Base, for Storage Stability Testing

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2002-01-01

    1.1 This test method covers the determination of the stability in storage, of liquid, water-base chemical cleaning compounds, used to clean the exterior surfaces of aircraft. 1.2 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

  10. Screening of Panamanian Plant Extracts for Pesticidal Properties and HPLC-Based Identification of Active Compounds

    OpenAIRE

    Guldbrandsen, Niels; De Mieri, Maria; Gupta, Mahabir; Seiser, Tobias; Wiebe, Christine; Dickhaut, Joachim; Reingruber, Rüdiger; Sorgenfrei, Oliver; Hamburger, Matthias

    2014-01-01

    A library of 600 taxonomically diverse Panamanian plant extracts was screened for fungicidal, insecticidal, and herbicidal activities. A total of 19 active extracts were submitted to HPLC-based activity profiling, and extracts of Bocconia frutescens, Miconia affinis, Myrcia splendens, Combretum aff. laxum, and Erythroxylum macrophyllum were selected for the isolation of compounds. Chelerythrine (2), macarpine (3), dihydrosanguinarine (5), and arjunolic acid (8) showed moderate-to-good fungici...

  11. O-methylation of natural phenolic compounds based on green chemistry using dimethyl carbonate

    Science.gov (United States)

    Prakoso, N. I.; Pangestu, P. H.; Wahyuningsih, T. D.

    2016-02-01

    The alkyl aryl ether compounds, of which methyl eugenol and veratraldehyde are the simplest intermediates can be synthesized by reacting eugenol and vanillin with the green reagent dimethyl carbonate (DMC). The reaction was carried out under mild of temperature and pressure. Excellent yields and selective products were obtained (95-96%) after a few hours. In the end of the reaction, the catalysts (base and Phase Transfer Catalyst) can be recovered and regenerated.

  12. Measurement of zinc activity in the ternary In–Zn–Sn alloys by EMF method

    Energy Technology Data Exchange (ETDEWEB)

    Behera, C.K., E-mail: ckbehera.met@itbhu.ac.in; Sonaye, A.

    2013-09-20

    Highlights: • Activity of zinc in the ternary In–Zn–Sn system has been measured in the temperature range 753–853 K by EMF method. • Isoactivity lines for zinc reflect the positive deviation from the ideality at 813 K. • The activity of indium in In–Sn binary system shows negative deviation from Raoult's law over entire range of composition. • Ternary excess molar free energies at 813 K are computed by Darken's treatment. • Calculated molar excess free energies for the ternary systems are compared with the Chou's theoretical model data. - Abstract: Activity of zinc in liquid In–Zn–Sn alloys has been measured by electrochemical technique based on molten salt electrolyte galvanic cell in the temperature range 753–853 K along three ternary sections of Zn{sub x}(In{sub y}Sn{sub 1−y}){sub 1−x} where y = 0.67, 0.50 and 0.33. The activity of indium in In–Sn binary alloys has also been measured by the same technique in the same temperature range. The activity of Zinc in In–Zn–Sn alloys shows positive deviation from the Raoult's law over entire range of composition. The activity of indium in In–Sn alloys shows negative deviations from ideality for entire composition. The excess molar free energies have been computed by the Darken's treatment of the ternary solutions using In–Sn binary data and ternary data in this study. Isoactivity curves at 813 K in the ternary In–Zn–Sn alloys were derived by combining the activity data of In–Zn and Sn–Zn alloys. The values of excess molar free energy in this study are in good agreement with those calculated from the general model calculation proposed by Chou.

  13. Carbon Nanomaterials Based Electrochemical Sensors/Biosensors for the Sensitive Detection of Pharmaceutical and Biological Compounds.

    Science.gov (United States)

    Adhikari, Bal-Ram; Govindhan, Maduraiveeran; Chen, Aicheng

    2015-01-01

    Electrochemical sensors and biosensors have attracted considerable attention for the sensitive detection of a variety of biological and pharmaceutical compounds. Since the discovery of carbon-based nanomaterials, including carbon nanotubes, C60 and graphene, they have garnered tremendous interest for their potential in the design of high-performance electrochemical sensor platforms due to their exceptional thermal, mechanical, electronic, and catalytic properties. Carbon nanomaterial-based electrochemical sensors have been employed for the detection of various analytes with rapid electron transfer kinetics. This feature article focuses on the recent design and use of carbon nanomaterials, primarily single-walled carbon nanotubes (SWCNTs), reduced graphene oxide (rGO), SWCNTs-rGO, Au nanoparticle-rGO nanocomposites, and buckypaper as sensing materials for the electrochemical detection of some representative biological and pharmaceutical compounds such as methylglyoxal, acetaminophen, valacyclovir, β-nicotinamide adenine dinucleotide hydrate (NADH), and glucose. Furthermore, the electrochemical performance of SWCNTs, rGO, and SWCNT-rGO for the detection of acetaminophen and valacyclovir was comparatively studied, revealing that SWCNT-rGO nanocomposites possess excellent electrocatalytic activity in comparison to individual SWCNT and rGO platforms. The sensitive, reliable and rapid analysis of critical disease biomarkers and globally emerging pharmaceutical compounds at carbon nanomaterials based electrochemical sensor platforms may enable an extensive range of applications in preemptive medical diagnostics. PMID:26404304

  14. Laser-based methods for the analysis of low molecular weight compounds in biological matrices.

    Science.gov (United States)

    Kiss, András; Hopfgartner, Gérard

    2016-07-15

    Laser-based desorption and/or ionization methods play an important role in the field of the analysis of low molecular-weight compounds (LMWCs) because they allow direct analysis with high-throughput capabilities. In the recent years there were several new improvements in ionization methods with the emergence of novel atmospheric ion sources such as laser ablation electrospray ionization or laser diode thermal desorption and atmospheric pressure chemical ionization and in sample preparation methods with the development of new matrix compounds for matrix-assisted laser desorption/ionization (MALDI). Also, the combination of ion mobility separation with laser-based ionization methods starts to gain popularity with access to commercial systems. These developments have been driven mainly by the emergence of new application fields such as MS imaging and non-chromatographic analytical approaches for quantification. This review aims to present these new developments in laser-based methods for the analysis of low-molecular weight compounds by MS and several potential applications. PMID:27107904

  15. Carbon Nanomaterials Based Electrochemical Sensors/Biosensors for the Sensitive Detection of Pharmaceutical and Biological Compounds

    Directory of Open Access Journals (Sweden)

    Bal-Ram Adhikari

    2015-09-01

    Full Text Available Electrochemical sensors and biosensors have attracted considerable attention for the sensitive detection of a variety of biological and pharmaceutical compounds. Since the discovery of carbon-based nanomaterials, including carbon nanotubes, C60 and graphene, they have garnered tremendous interest for their potential in the design of high-performance electrochemical sensor platforms due to their exceptional thermal, mechanical, electronic, and catalytic properties. Carbon nanomaterial-based electrochemical sensors have been employed for the detection of various analytes with rapid electron transfer kinetics. This feature article focuses on the recent design and use of carbon nanomaterials, primarily single-walled carbon nanotubes (SWCNTs, reduced graphene oxide (rGO, SWCNTs-rGO, Au nanoparticle-rGO nanocomposites, and buckypaper as sensing materials for the electrochemical detection of some representative biological and pharmaceutical compounds such as methylglyoxal, acetaminophen, valacyclovir, β-nicotinamide adenine dinucleotide hydrate (NADH, and glucose. Furthermore, the electrochemical performance of SWCNTs, rGO, and SWCNT-rGO for the detection of acetaminophen and valacyclovir was comparatively studied, revealing that SWCNT-rGO nanocomposites possess excellent electrocatalytic activity in comparison to individual SWCNT and rGO platforms. The sensitive, reliable and rapid analysis of critical disease biomarkers and globally emerging pharmaceutical compounds at carbon nanomaterials based electrochemical sensor platforms may enable an extensive range of applications in preemptive medical diagnostics.

  16. The ternary Ni—Al—Co embedded-atom-method potential for γ/γ' Ni-based single-crystal superalloys: Construction and application

    International Nuclear Information System (INIS)

    An Ni—Al—Co system embedded-atom-method potential is constructed for the γ(Ni)/γ'(Ni3Al) superalloy based on experiments and first-principles calculations. The stacking fault energies (SFEs) of the Ni(Co, Al) random solid solutions are calculated as a function of the concentrations of Co and Al. The calculated SFEs decrease with increasing concentrations of Co and Al, which is consistent with the experimental results. The embedding energy term in the present potential has an important influence on the SFEs of the random solid solutions. The cross-slip processes of a screw dislocation in homogenous Ni(Co) solid solutions are simulated using the present potential and the nudged elastic band method. The cross-slip activation energies increase with increasing Co concentration, which implies that the creep resistance of γ(Ni) may be improved by the addition of Co

  17. Mechanical properties of C40-based ternary Mo(Si,Al)2 and quaternary (Mo,Zr)(Si,Al)2 silicides

    International Nuclear Information System (INIS)

    Refractory silicides with transition metals are of interest as structural materials operating at very high temperatures to improve energy efficiency. MoSi2 is particularly attractive because of its high melting point (2,030 C), relatively low density (6.24 g/cm3), superior oxidation resistance and high thermal conductivity. Nevertheless, MoSi2 still has several problems which must be overcome before structural application. In this paper an attempt to improve the ductility, toughness and high-temperature strength of C40-based MoSi2 silicides was made by controlling additional Al and Zr contents in order to change the ductility, species of the constituent phase and the volume fraction of each phase

  18. Fabrication of ternary Ca-Mg-Zn bulk metallic glasses

    Directory of Open Access Journals (Sweden)

    R. Nowosielski

    2013-02-01

    Full Text Available Purpose: The paper describes the preparation, structure and thermal properties of ternary Ca-Mg-Zn bulk metallic glass in form of as-cast rods.Design/methodology/approach: The investigations on the ternary Ca-Mg-Zn glassy rods were conducted by using X-ray diffraction (XRD, scanning electron microscopy (SEM which energy dispersive X-ray analysis (EDS.Findings: The X-ray diffraction investigations have revealed that the studied as-cast rod was amorphous. The fractures of studied alloy could be classified as mixed fracture with indicated “river” and “smooth” fractures. Both type of the fracture surfaces consist of weakly formed “river” and “shell” patterns and “smooth” regions. The “river” patterns are characteristic for metallic glassy alloys.Practical implications: The studied Ca-based bulk metallic glasses is a relatively new group of material. Ca-based bulk metallic glasses are applied for many applications in different elements. Ca-based bulk metallic glasses have many unique properties such as low density (~2.0 g/cm3, low Youn g’s modulus ( ~20 to 30 GPa. The elastic modulus of Ca-b ased BMGs is comparable to that of hum an bone s, and Ca, Mg, and Zn are biocompatible. These features make the Ca-Mg-Zn–based alloys attractive for use in biomedical applications.Originality/value: Fabrication of amorphous alloy in the form of rod ternary Ca-Mg-Zn alloy by pressure die casting method.

  19. Ternary fission of nuclei into comparable fragments

    Energy Technology Data Exchange (ETDEWEB)

    Karpeshin, F. F., E-mail: fkarpeshin@gmail.com [D.I. Mendeleev Institute forMetrology (VNIIM) (Russian Federation)

    2015-07-15

    The problem of nuclear fission into three comparable fragments is considered. A mechanism of true ternary fission is proposed. In contrast to sequential fission, where the three fragments arise upon two sequential events of binary fission, the mechanism in question relies on a scenario that originally involves fission into three fragments. This mechanism is driven by a hexadecapole deformation of the fissioning nucleus, in contrast to binary fission associated with quadrupole vibrations of the nuclear surface. The fragment-mass ratios are estimated. The dynamics of formation of collinear fragments and their subsequent motion in opposite directions is traced. The calculated probability of true ternary fission complies with observed values.

  20. Ternary fission of nuclei into comparable fragments

    International Nuclear Information System (INIS)

    The problem of nuclear fission into three comparable fragments is considered. A mechanism of true ternary fission is proposed. In contrast to sequential fission, where the three fragments arise upon two sequential events of binary fission, the mechanism in question relies on a scenario that originally involves fission into three fragments. This mechanism is driven by a hexadecapole deformation of the fissioning nucleus, in contrast to binary fission associated with quadrupole vibrations of the nuclear surface. The fragment-mass ratios are estimated. The dynamics of formation of collinear fragments and their subsequent motion in opposite directions is traced. The calculated probability of true ternary fission complies with observed values

  1. Phase Relationships in the Er-Si-Ti Ternary System at 773 K

    OpenAIRE

    Xueqiang Li1,2,3,4

    2015-01-01

    The phase relationship in the Er-Si-Ti ternary system at 773 K was investigated mainly by X-ray powder diffraction analysis with the aid of scanning electron microscope analysis in this work. The existence of nine binary compounds Er5Si3, Er5Si4, ErSi, Er3Si5, Si2Ti, SiTi, Si4Ti5, Si3Ti5, SiTi3 and two ternary compounds ErSiTi and Er2Si4Ti3 was confirmed in this system at 773 K. The homogeneity range of Er3Si5 phase extended from about 63 at% Si to 66 at% Si in Er-Si system at 773 K. The homo...

  2. Response surface methodology based optimization of diesel–n-butanol –cotton oil ternary blend ratios to improve engine performance and exhaust emission characteristics

    International Nuclear Information System (INIS)

    Highlights: • RSM based optimization for optimum blend ratio of diesel fuel, n-butanol and cotton oil was done. • 65.5 vol.% diesel fuel, 23.1 vol.% n-butanol and 11.4 vol.% cotton oil (DnBC) was determined. • DnBC decreased brake torque, brake power, BTE and BMEP, while increased BSFC. • DnBC decreased NOx, CO and HC emissions. - Abstract: Many studies declare that 20% biodiesel is the optimum concentration for biodiesel–diesel fuel blends to improve performance. The present work focuses on finding diesel fuel, n-butanol, and cotton oil optimum blend ratios for diesel engine applications by using the response surface method (RSM). Experimental test fuels were prepared by choosing 7 different concentrations, where phase decomposition did not occur in the phase diagram of −10 °C. Experiments were carried out at full load conditions and the constant speed (2200 rpm) of maximum brake torque to determine engine performance and emission parameters. According to the test results of the engine, optimization was done by using RSM considering engine performance and exhaust emissions parameters, to identify the rates of concentrations of components in the optimum blend of three. Confirmation tests were employed to compare the output values of concentrations that were identified by optimization. The real experiment results and the R2 actual values that show the relation between the outputs from the optimizations and real experiments were determined in high accordance. The optimum component concentration was determined as 65.5 vol.% diesel, 23.1 vol.% n-butanol and 11.4 vol.% cotton oil (DnBC). According to engine performance tests brake torque, brake power, BTE and BMEP of DnBC decreased while BSFC increased compared to those of diesel fuel. NOx, CO and HC emissions of DnBC drastically decreased as 11.33%, 45.17% and 81.45%, respectively

  3. Standardization of Tragopogon graminifolius DC. Extract Based on Phenolic Compounds and Antioxidant Activity

    Directory of Open Access Journals (Sweden)

    Mohammad Hosein Farzaei

    2014-01-01

    Full Text Available Tragopogon graminifolius DC. (TG, Compositae family, is traditionally used for the treatment of various diseases like gastrointestinal and hepatic disorders. The aim of the present study is to standardize extracts from TG used for preparation of different dosage forms in traditional Iranian medicine (TIM based on phenolic compounds. For this purpose, total phenolic content and some phenolic compounds were determined in ethanolic extracts from aerial part and root of TG by HPLC method. Furthermore, antioxidant activity was evaluated using DPPH-HPLC methods. Caffeic acid, gallic acid, ρ-coumaric acid, ferulic acid, and catechin were detected in root and aerial part of TG. ρ-Coumaric acid (6.357 ± 0.014 mg·g−1 was dominant phenolic compound in aerial part followed by ferulic acid (1.24 ± 0.018 mg·g−1. Also, ρ-coumaric acid (2.685 ± 0.031 mg·g−1 was highly abundant in root, followed by catechin (2.067 ± 0.021 mg·g−1. Antioxidant activity of root extract (460.45 ± 0.78 µg Vit.E.E·mL−1 was better than that of aerial part. Generally, phenolic compounds are one of the major constituents of TG and could be used as markers for standardization of dosage forms prepared from this plant. Also, TG demonstrated significant antioxidant activity using DPPH-HPLC method. Phenolic compounds of TG may be responsible for its marked antioxidant properties.

  4. Syntheses, magnetic and spectral studies on polystyrene supported coordination compounds of bidentate and tetradentate Schiff bases

    Indian Academy of Sciences (India)

    D Kumar; P K Gupta; A Syamal

    2005-05-01

    The reaction of aminomethylated polystyrene (PSCH2-NH2) and 2-hydroxyacetanilide in DMF results in the formation of polystyrene-anchored monobasic bidentate Schiff base, PSCH2-LH (I). On the other hand, the reaction of chloromethylated polystyrene (PSCH2-Cl), 3-formylsalicylic acid, ethylenediamine and acetylacetone in DMF in presence of ethyl acetate (EA) and triethylamine (TEA) produces another polystyrene-anchored dibasic tetradentate Schiff base, PSCH2-L'H2 (II). Both I and II react with a number of di-, tri- and hexavalent metal ions like Co, Ni, Cu, Zn and Cd to form polystyreneanchored coordination compounds, and these have been characterized and discussed.

  5. Experimental Study on Torsion of Steel Fiber Reinforced Concrete Members with Ternary Blended Concrete

    OpenAIRE

    Omer Zaheer Ahmed; Mohd Zaker

    2014-01-01

    The study on the torsional behavior of concrete in which the effect of fiber reinforcement in resisting twisting of concrete beams and performance of concrete with ternary blends. When silica fume is added to fresh concrete it chemically reacts with the CH gel to produces additional CSH gel. The benefit of this reaction is twofold increased compressive strength and chemical resistance. The hydration (mixing with water) of Portland cement produces many compounds, including calcium ...

  6. First principles total energy study of NbCr2 + V Laves phase ternary system

    International Nuclear Information System (INIS)

    The C15 NbCr2 + V Laves phase ternary system is studied by using a first-principles, self-consistent, full-potential total energy method. Equilibrium lattice parameters, cohesive energies, density of states and formation energies of substitutional defects are calculated. Results of all these calculations show that in the C15 NbCr2 + V compounds, V atoms substitute Cr atoms only

  7. Assessment of the al corner of the ternary Al-Fe-Si system

    OpenAIRE

    Eleno, Luiz; Vezelý, Josef; Sundman, Bo; Cieslar, Miroslav; Lacaze, Jacques

    2010-01-01

    The present work provides a review of the information available on the Al-rich corner of the Al-Fe-Si system as well as a CALPHAD type assessment making use of the COST 507 database as a starting point. The description of the intermetallic compounds has been modified to account for substitution of Al and Si in the ternary Al-Fe-Si system and to take new experimental information into account.

  8. Computer based screening of compound databases: 1. Preselection of benzamidine-based thrombin inhibitors.

    Science.gov (United States)

    Fox, T; Haaksma, E E

    2000-07-01

    We present a computational protocol which uses the known three-dimensional structure of a target enzyme to identify possible ligands from databases of compounds with low molecular weight. This is accomplished by first mapping the essential interactions in the binding site with the program GRID. The resulting regions of favorable interaction between target and ligand are translated into a database query, and with UNITY a flexible 3D database search is performed. The feasibility of this approach is calibrated with thrombin as the target. Our results show that the resulting hit lists are enriched with thrombin inhibitors compared to the total database. PMID:10896314

  9. A design and application of compound multi-functional sensor in wood-based panel processing

    Institute of Scientific and Technical Information of China (English)

    XU Kai-hong; ZHOU Ding-guo

    2006-01-01

    A compound multi-functional sensor was designed by the study on the on-line testing technology of wood-based panels, and its properties of shape, functions, size, resistance to special environment were studied in details. The operational principles of different sensors, technical flow of manufacturing, development of software systems of special functions, and the assessments of technical specification were also be introduced. This sensor adopted many new technologies, such as the applications of piezoresistant effect and heat sensitive effect can effectively measure the pressure and temperature, digital signal processing technology was used to extract and treat signals, and resist interference, encapsulation technology was used to keep the normal run of sensor under a harsh environment. Thus, the on-line compound multi-functional temperature/pressure sensor can be applied better to supervise the production of wood-based panels. All technical specifications of the compound multi-functional sensor were tested and the results met the requirements of the equipments.

  10. Radiosensitization of DNA in presence of Pt(II)-based compounds

    International Nuclear Information System (INIS)

    X-ray irradiation of plasmid DNA in presence of platinum (II)-based compounds was carried out in order to assess the radiosensitization capabilities of these drugs. In present investigations pBR322 plasmid DNA was used to monitor the effectiveness of chosen compounds in inducing strand breaks. Samples were incubated in the presence of potential radiosensitizers: platinum (II) bromide and cis-diammine-dibromo-platinum (II). The results were examined against a common cancer chemotherapy drug cis-diamminedichloroplatinum (II). It was found that platinum (II) bromide can greatly increase the levels of single- and double-strand break formation observed in the irradiated samples with respect to the samples containing platinum as a radiosensitizer only, possessing very little chemotherapeutic activity. The suggested drugs exhibit much higher level of radiosensitivity than widely used cisplatin and thus may be good candidates for cancer treatment. (authors)

  11. USING H.264/AVC-INTRA FOR DCT BASED SEGMENTATION DRIVEN COMPOUND IMAGE COMPRESSION

    Directory of Open Access Journals (Sweden)

    S. Ebenezer Juliet

    2011-08-01

    Full Text Available This paper presents a one pass block classification algorithm for efficient coding of compound images which consists of multimedia elements like text, graphics and natural images. The objective is to minimize the loss of visual quality of text during compression by separating text information which needs high special resolution than the pictures and background. It segments computer screen images into text/graphics and picture/background classes based on DCT energy in each 4x4 block, and then compresses both text/graphics pixels and picture/background blocks by H.264/AVC with variable quantization parameter. Experimental results show that the single H.264/AVC-INTRA coder with variable quantization outperforms single coders such as JPEG, JPEG-2000 for compound images. Also the proposed method improves the PSNR value significantly than standard JPEG, JPEG-2000 and while keeping competitive compression ratios.

  12. Comparative Study of Laterite and Bentonite Based Organoclays: Implications of Hydrophobic Compounds Remediation from Aqueous Solutions

    Directory of Open Access Journals (Sweden)

    Muhammad Nafees

    2013-01-01

    Full Text Available Four cost effective organoclays were synthesized, characterized, and studied for the sorption of hydrophobic compounds (edible oil/grease and hydrocarbon oil from aqueous solutions. Organoclays were prepared by cation exchange reaction of lattice ions (present onto the surface of laterite and bentonite clay minerals with two surfactants, hexadecyl trimethyl ammonium chloride (HDTMA-Cl and tetradecyl trimethyl ammonium bromide (TDTMA-Br. Fourier transform infrared spectroscopy and scanning electron microscopy were used for the characterization of synthesized organoclays. It was found that the amount of surfactant loading and the nature of the surfactant molecules used in the syntheses of organoclay strongly affect the sorption capacity of the clay mineral. Further, it was found that both the laterite and bentonite based organoclays efficiently removed the edible and hydrocarbon oil content from lab prepared emulsions; however, the adsorption capacity of clay mineral was greatly influenced by the nature of hydrophobic compounds as well.

  13. Radiosensitization of DNA in presence of Pt(II)-based compounds

    Science.gov (United States)

    Śmiałek, Małgorzata A.; Ptasińska, Sylwia; Gow, Jason; Pieve, Chiara Da; Mason, Nigel J.

    2014-04-01

    X-ray irradiation of plasmid DNA in presence of platinum (II)-based compounds was carried out in order to assess the radiosensitization capabilities of these drugs. In present investigations pBR322 plasmid DNA was used to monitor the effectiveness of chosen compounds in inducing strand breaks. Samples were incubated in the presence of potential radiosensitisers: platinum (II) bromide and cis-diamminedibromoplatinum (II). The results were examined against a common cancer chemotherapy drug cis-diamminedichloroplatinum (II). It was found that platinum (II) bromide can greatly increase the levels of single- and double-strand break formation observed in the irradiated samples with respect to the samples containing platinum as a radiosensitizer only, possessing very little chemotherapeutic activity. The suggested drugs exhibit much higher level of radiosensitivity than widely used cisplatin and thus may be good candidates for cancer treatment.

  14. Leaching characteristics of calcium-based compounds in MSWI Residues: From the viewpoint of clogging risk

    Energy Technology Data Exchange (ETDEWEB)

    Xia, Yi [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Zhang, Hua, E-mail: zhanghua_tj@tongji.edu.cn [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Phoungthong, Khamphe [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Shi, Dong-Xiao; Shen, Wen-Hui [Changzhou Domestic Waste Treatment Center, Changzhou 213000 (China); Shao, Li-Ming [Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Center for the Technology Research and Training on Household Waste in Small Towns & Rural Area, Ministry of Housing and Urban–Rural Development of PR China (MOHURD), Shanghai 200092 (China); He, Pin-Jing, E-mail: solidwaste@tongji.edu.cn [Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Center for the Technology Research and Training on Household Waste in Small Towns & Rural Area, Ministry of Housing and Urban–Rural Development of PR China (MOHURD), Shanghai 200092 (China)

    2015-08-15

    Highlights: • The leaching behavior of Ca-based compounds commonly in MSWI residues was studied. • pH is the crucial factor for calcium leaching process. • CaCO{sub 3} was the most sensitive to leaching temperature and Ca{sub 3}(PO{sub 4}){sub 2} was the least. • Ca leaching of MSWIBA and SAPCR attributed to CaCO{sub 3} and Ca{sub 3}(PO{sub 4}){sub 2} respectively. • Potential clogging ability of MSWI residues leachate in open air was calculated. - Abstract: Leachate collection system (LCS) clogging caused by calcium precipitation would be disadvantageous to landfill stability and operation. Meanwhile, calcium-based compounds are the main constituents in both municipal solid waste incineration bottom ash (MSWIBA) and stabilized air pollution control residues (SAPCR), which would increase the risk of LCS clogging once these calcium-rich residues were disposed in landfills. The leaching behaviors of calcium from the four compounds and municipal solid waste incineration (MSWI) residues were studied, and the influencing factors on leaching were discussed. The results showed that pH was the crucial factor in the calcium leaching process. CaCO{sub 3} and CaSiO{sub 3} began leaching when the leachate pH decreased to less than 7 and 10, respectively, while Ca{sub 3}(PO{sub 4}){sub 2} leached at pH < 12. CaSO{sub 4} could hardly dissolve in the experimental conditions. Moreover, the sequence of the leaching rate for the different calcium-based compounds is as follows: CaSiO{sub 3} > Ca{sub 3}(PO{sub 4}){sub 2} > CaCO{sub 3}. The calcium leaching from the MSWIBA and SAPCR separately started from pH < 7 and pH < 12, resulting from CaCO{sub 3} and Ca{sub 3}(PO{sub 4}){sub 2} leaching respectively, which was proven by the X-ray diffraction results. Based on the leaching characteristics of the different calcium compounds and the mineral phase of calcium in the incineration residues, simulated computation of their clogging potential was conducted, providing the

  15. Leaching characteristics of calcium-based compounds in MSWI Residues: From the viewpoint of clogging risk

    International Nuclear Information System (INIS)

    Highlights: • The leaching behavior of Ca-based compounds commonly in MSWI residues was studied. • pH is the crucial factor for calcium leaching process. • CaCO3 was the most sensitive to leaching temperature and Ca3(PO4)2 was the least. • Ca leaching of MSWIBA and SAPCR attributed to CaCO3 and Ca3(PO4)2 respectively. • Potential clogging ability of MSWI residues leachate in open air was calculated. - Abstract: Leachate collection system (LCS) clogging caused by calcium precipitation would be disadvantageous to landfill stability and operation. Meanwhile, calcium-based compounds are the main constituents in both municipal solid waste incineration bottom ash (MSWIBA) and stabilized air pollution control residues (SAPCR), which would increase the risk of LCS clogging once these calcium-rich residues were disposed in landfills. The leaching behaviors of calcium from the four compounds and municipal solid waste incineration (MSWI) residues were studied, and the influencing factors on leaching were discussed. The results showed that pH was the crucial factor in the calcium leaching process. CaCO3 and CaSiO3 began leaching when the leachate pH decreased to less than 7 and 10, respectively, while Ca3(PO4)2 leached at pH < 12. CaSO4 could hardly dissolve in the experimental conditions. Moreover, the sequence of the leaching rate for the different calcium-based compounds is as follows: CaSiO3 > Ca3(PO4)2 > CaCO3. The calcium leaching from the MSWIBA and SAPCR separately started from pH < 7 and pH < 12, resulting from CaCO3 and Ca3(PO4)2 leaching respectively, which was proven by the X-ray diffraction results. Based on the leaching characteristics of the different calcium compounds and the mineral phase of calcium in the incineration residues, simulated computation of their clogging potential was conducted, providing the theoretical basis for the risk assessment pertaining to LCS clogging in landfills

  16. Density functional for ternary non-additive hard sphere mixtures.

    Science.gov (United States)

    Schmidt, Matthias

    2011-10-19

    Based on fundamental measure theory, a Helmholtz free energy density functional for three-component mixtures of hard spheres with general, non-additive interaction distances is constructed. The functional constitutes a generalization of the previously given theory for binary non-additive mixtures. The diagrammatic structure of the spatial integrals in both functionals is of star-like (or tree-like) topology. The ternary diagrams possess a higher degree of complexity than the binary diagrams. Results for partial pair correlation functions, obtained via the Ornstein-Zernike route from the second functional derivatives of the excess free energy functional, agree well with Monte Carlo simulation data. PMID:21946780

  17. Boron site preference in ternary Ta and Nb boron silicides

    International Nuclear Information System (INIS)

    X-ray single crystal (XSC) and neutron powder diffraction data (NPD) were used to elucidate boron site preference for five ternary phases. Ta3Si1−xBx (x=0.112(4)) crystallizes with the Ti3P-type (space group P42/n) with B-atoms sharing the 8g site with Si atoms. Ta5Si3−x (x=0.03(1); Cr5B3- type) crystallizes with space group I4/mcm, exhibiting a small amount of vacancies on the 4a site. Both, Ta5(Si1−xBx)3, x=0.568(3), and Nb5(Si1−xBx)3, x=0.59(2), are part of solid solutions of M5Si3 with Cr5B3-type into the ternary M–Si–B systems (M=Nb or Ta) with B replacing Si on the 8h site. The D88-phase in the Nb–Si–B system crystallizes with the Ti5Ga4-type revealing the formula Nb5Si3B1−x (x=0.292(3)) with B partially filling the voids in the 2b site of the Mn5Si3 parent type. - Graphical abstract: The crystal structures of a series of compounds have been solved from X-ray single crystal diffractometry revealing details on the boron incorporation. Highlights: ► Structure of a series of compounds have been solved by X-ray single crystal diffractometry. ► Ta3(Si1−xBx) (x=0.112) crystallizes with the Ti3P-type, B and Si atoms randomly share the 8g site. ► Structure of Nb5Si3B1−x (x=0.292; Ti5Ga4-type) was solved from NPD.

  18. Ternary supramolecular quantum-dot network flocculation for selective lectin detection

    NARCIS (Netherlands)

    Oikonomou, Maria; Wang, Junyou; Carvalho, Rui Rijo; Velders, Aldrik H.

    2016-01-01

    We present a versatile, tuneable, and selective nanoparticle-based lectin biosensor, based on flocculation of ternary supramolecular nanoparticle networks (NPN), formed through the sequential binding of three building blocks. The three building blocks are β-cyclodextrin-capped CdTe quantum dots,

  19. Using a Ternary Diagram to Display a System's Evolving Energy Distribution

    Science.gov (United States)

    Brazzle, Bob; Tapp, Anne

    2016-04-01

    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 (calculus-based) physics course in a novel context—tracking the distribution of energy in a system as it transforms among three categories (e.g., gravitational, kinetic, and thermal) or transfers among three objects (e.g., inductor, capacitor, and resistor). The ternary diagram has some significant advantages over other graphical representations of energy distributions: an entire scenario can appear in a single plot, even when using very small time steps. This also means that the plot can be used to compare relative rates of energy change during various processes. Our goal for this paper is to introduce the ternary diagram and discuss these advantages in hopes that this will stimulate broader use of ternary diagrams and further research into their educational utility.

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

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt

    1997-01-01

    The temperature and composition dependence of the site substitution behavior of ternary additions to Ni3Al is examined on the basis of first-principles calculations of the total energies of ternary, partially ordered (gamma') alloys. The calculations are performed by means of the linear muffin-ti...... ternary phase diagram for the elements Co, Pd, Cu, and Ag incorrectly has been interpreted as evidence for strong Ni site preference and that, in fact, these elements are expected to exhibit only weak Ni site preference.......The temperature and composition dependence of the site substitution behavior of ternary additions to Ni3Al is examined on the basis of first-principles calculations of the total energies of ternary, partially ordered (gamma') alloys. The calculations are performed by means of the linear muffin......-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...

  1. Phase Equilibria of the Fe-Ni-Sn Ternary System at 270°C

    Science.gov (United States)

    Huang, Tzu-Ting; Lin, Shih-Wei; Chen, Chih-Ming; Chen, Pei Yu; Yen, Yee-Wen

    2016-07-01

    The Fe-42 wt.% Ni alloy, also known as a 42 invar alloy (Alloy 42), is used as a lead-frame material because its thermal expansion coefficient is much closer to Si substrate than Cu or Ni substrates. In order to enhance the wettability between the substrate and solder, the Sn layer was commonly electroplated onto the Alloy 42 surface. A clear understanding of the phase equilibria of the Fe-Ni-Sn ternary system is necessary to ensure solder-joint reliability between Sn and Fe-Ni alloys. To determine the isothermal section of the Fe-Ni-Sn ternary system at 270°C, 26 Fe-Ni-Sn alloys with different compositions were prepared. The experimental results confirmed the presence of the Fe3Ni and FeNi phases at 270°C. Meanwhile, it observed that the isothermal section of the Fe-Ni-Sn ternary system was composed of 11 single-phase regions, 19 two-phase regions and nine tie-triangles. Moreover, no ternary compounds were found in the Fe-Ni-Sn system at 270°C.

  2. Electrodeposition of catalytic ternary cobalt based coatings

    OpenAIRE

    Ved, M. V.; Sakhnenko, N. D.; Glushkova, M. A.; Hapon, Yu. K.; Kozyar, M. A.

    2015-01-01

    Consistent patterns for electrodeposition of Co-Mo-W and 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 topography of the galvanic alloys were determined. It was established the coating Co-Mo-Zr enrichment by alloying components with current density increasing as well as the rising of pulse time promotes the content of zirconium, and pause – molybdenum be...

  3. 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.)

  4. Antimonide-based interdiffused quantum wells

    OpenAIRE

    Sim, SKH; Li, EH; Mutamba, K.; Hartnagel, HL

    1998-01-01

    Antimonide (Sb) is said to be an emerging optoelectronic materials for both high speed and long wavelength electronics devices. Recently, there has been much research activities on antimonide based system. Among Group V elements, antimonide is of particular interest as its lattice parameter matches solid solutions of various ternary and quaternary III-V compounds whose band gap cover a wide spectral range from absorption in antimonide based superlattices, detection of longer wavelength of 8 t...

  5. Identification of compounds that modulate retinol signaling using a cell-based qHTS assay.

    Science.gov (United States)

    Chen, Yanling; Sakamuru, Srilatha; Huang, Ruili; Reese, David H; Xia, Menghang

    2016-04-01

    In vertebrates, the retinol (vitamin A) signaling pathway (RSP) controls the biosynthesis and catabolism of all-trans retinoic acid (atRA), which regulates transcription of genes essential for embryonic development. Chemicals that interfere with the RSP to cause abnormal intracellular levels of atRA are potential developmental toxicants. To assess chemicals for the ability to interfere with retinol signaling, we have developed a cell-based RARE (Retinoic Acid Response Element) reporter gene assay to identify RSP disruptors. To validate this assay in a quantitative high-throughput screening (qHTS) platform, we screened the Library of Pharmacologically Active Compounds (LOPAC) in both agonist and antagonist modes. The screens detected known RSP agonists, demonstrating assay reliability, and also identified novel RSP agonists including kenpaullone, niclosamide, PD98059 and SU4312, and RSP antagonists including Bay 11-7085, LY294002, 3,4-Methylenedioxy-β-nitrostyrene, and topoisomerase inhibitors (camptothecin, topotecan, amsacrine hydrochloride, and idarubicin). When evaluated in the P19 pluripotent cell, these compounds were found to affect the expression of the Hoxa1 gene that is essential for embryo body patterning. These results show that the RARE assay is an effective qHTS approach for screening large compound libraries to identify chemicals that have the potential to adversely affect embryonic development through interference with retinol signaling. PMID:26820057

  6. 3D-QSAR and docking studies of estrogen compounds based on estrogen receptor β

    Institute of Scientific and Technical Information of China (English)

    YANG XuShu; WANG XiaoDong; LUO Si; JI Li; QIN Liang; LI Rong; SUN Cheng; WANG LianSheng

    2009-01-01

    Close attention has been paid to estrogen compounds because these chemicals may pose a serious threat to the health of humans and wildlife.Estrogen receptor (ER) exists as two subtypes,ERo and ERβ.The difference in amino acids sequence of the binding sites of ERo and ERβ might lead to a result that some synthetic estrogens and naturally occurring steroidal ligands have different relative affinities and binding modes for ERa and ERβ.In this investigation,comparative molecular similarity indices analysis (CoMSIA) was performed on 50 estrogen compounds binding ERβ to find out the structural relationship with the activities.We also compared two alignment schemes employed in CoMSIA analysis,namely,atom-fit and receptor-based alignment,with respect to the predictive capability of their respective models for structurally diverse data sets.The model with the significant correlation and the best predictive power (R2=0.961,q2LOO=0.671,Rp2red=0.722) was achieved.The CoMSIA and docking results revealed the structural features related to an activity and provided an insight into molecular mechanisms of estrogenic activities for estrogen compounds.

  7. 3D-QSAR and docking studies of estrogen compounds based on estrogen receptor β

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Close attention has been paid to estrogen compounds because these chemicals may pose a serious threat to the health of humans and wildlife. Estrogen receptor (ER) exists as two subtypes, ERα and ERβ. The difference in amino acids sequence of the binding sites of ERα and ERβ might lead to a result that some synthetic estrogens and naturally occurring steroidal ligands have different relative affinities and binding modes for ERα and ERβ. In this investigation, comparative molecular similarity indices analysis (CoMSIA) was performed on 50 estrogen compounds binding ERβ to find out the structural relationship with the activities. We also compared two alignment schemes employed in CoMSIA analy-sis, namely, atom-fit and receptor-based alignment, with respect to the predictive capability of their respective models for structurally diverse data sets. The model with the significant correlation and the best predictive power (R2=0.961, qL 2OO=0.671, RP 2red=0.722) was achieved. The CoMSIA and docking results revealed the structural features related to an activity and provided an insight into molecular mechanisms of estrogenic activities for estrogen compounds.

  8. Use of Time-Resolved Fluorescence to Monitor Bioactive Compounds in Plant Based Foodstuffs.

    Science.gov (United States)

    Lemos, M Adília; Sárniková, Katarína; Bot, Francesca; Anese, Monica; Hungerford, Graham

    2015-01-01

    The study of compounds that exhibit antioxidant activity has recently received much interest in the food industry because of their potential health benefits. Most of these compounds are plant based, such as polyphenolics and carotenoids, and there is a need to monitor them from the field through processing and into the body. Ideally, a monitoring technique should be non-invasive with the potential for remote capabilities. The application of the phenomenon of fluorescence has proved to be well suited, as many plant associated compounds exhibit fluorescence. The photophysical behaviour of fluorescent molecules is also highly dependent on their microenvironment, making them suitable probes to monitor changes in pH, viscosity and polarity, for example. Time-resolved fluorescence techniques have recently come to the fore, as they offer the ability to obtain more information, coupled with the fact that the fluorescence lifetime is an absolute measure, while steady state just provides relative and average information. In this work, we will present illustrative time-resolved measurements, rather than a comprehensive review, to show the potential of time-resolved fluorescence applied to the study of bioactive substances. The aim is to help assess if any changes occur in their form, going from extraction via storage and cooking to the interaction with serum albumin, a principal blood transport protein. PMID:26132136

  9. Use of Time-Resolved Fluorescence to Monitor Bioactive Compounds in Plant Based Foodstuffs

    Directory of Open Access Journals (Sweden)

    M. Adília Lemos

    2015-06-01

    Full Text Available The study of compounds that exhibit antioxidant activity has recently received much interest in the food industry because of their potential health benefits. Most of these compounds are plant based, such as polyphenolics and carotenoids, and there is a need to monitor them from the field through processing and into the body. Ideally, a monitoring technique should be non-invasive with the potential for remote capabilities. The application of the phenomenon of fluorescence has proved to be well suited, as many plant associated compounds exhibit fluorescence. The photophysical behaviour of fluorescent molecules is also highly dependent on their microenvironment, making them suitable probes to monitor changes in pH, viscosity and polarity, for example. Time-resolved fluorescence techniques have recently come to the fore, as they offer the ability to obtain more information, coupled with the fact that the fluorescence lifetime is an absolute measure, while steady state just provides relative and average information. In this work, we will present illustrative time-resolved measurements, rather than a comprehensive review, to show the potential of time-resolved fluorescence applied to the study of bioactive substances. The aim is to help assess if any changes occur in their form, going from extraction via storage and cooking to the interaction with serum albumin, a principal blood transport protein.

  10. Predicting adsorption of aromatic compounds by carbon nanotubes based on quantitative structure property relationship principles

    Science.gov (United States)

    Rahimi-Nasrabadi, Mehdi; Akhoondi, Reza; Pourmortazavi, Seied Mahdi; Ahmadi, Farhad

    2015-11-01

    Quantitative structure property relationship (QSPR) models were developed to predict the adsorption of aromatic compounds by carbon nanotubes (CNTs). Five descriptors chosen by combining self-organizing map and stepwise multiple linear regression (MLR) techniques were used to connect the structure of the studied chemicals with their adsorption descriptor (K∞) using linear and nonlinear modeling techniques. Correlation coefficient (R2) of 0.99 and root-mean square error (RMSE) of 0.29 for multilayered perceptron neural network (MLP-NN) model are signs of the superiority of the developed nonlinear model over MLR model with R2 of 0.93 and RMSE of 0.36. The results of cross-validation test showed the reliability of MLP-NN to predict the K∞ values for the aromatic contaminants. Molar volume and hydrogen bond accepting ability were found to be the factors much influencing the adsorption of the compounds. The developed QSPR, as a neural network based model, could be used to predict the adsorption of organic compounds by CNTs.

  11. Iron based superconductors and related compounds synthesized by solid state metathesis and high temperature reactions

    International Nuclear Information System (INIS)

    The results of this thesis can be divided into three major topics, which can also be seen as different approaches of solid state chemistry to reveal interesting features of known and unknown compounds and to develop alternative synthesis routes. Firstly, known compounds with related structural motifs to the superconducting iron-arsenides were investigated regarding their structural and physical properties. In case of La3Pd4Ge4 the influence of Fe doping on the properties was studied, whereas in the series ZrMAs (M=Ti,V) the physical properties have not yet been reported at all and were investigated for the first time. Secondly, an alternative synthesis route has been developed for the synthesis of superconducting LaFeAsO1-xFx. This solid state metathesis reaction distinctly increased the quality of the samples compared to conventionally prepared products. Furthermore, the reaction pathway was investigated and clarified, which helps to understand the processes during high temperature solid state metathesis reactions in general. Thirdly, this alternative synthesis route was expanded to other systems and new compounds like co-substituted LaFe1-xMnxAsO1-yFy were prepared and thoroughly investigated. This led to a complex study of the interplay of magnetism, electronic and structural conditions and the occurrence of superconducting properties. The investigation and understanding of such complex coherences will probably be decisive for the further understanding of the superconducting mechanism in iron based superconductors.

  12. Screening for Antifibrotic Compounds Using High Throughput System Based on Fluorescence Polarization

    Directory of Open Access Journals (Sweden)

    Branko Stefanovic

    2014-04-01

    Full Text Available Fibroproliferative diseases are one of the leading causes of death worldwide. They are characterized by reactive fibrosis caused by uncontrolled synthesis of type I collagen. There is no cure for fibrosis and development of therapeutics that can inhibit collagen synthesis is urgently needed. Collagen α1(I mRNA and α2(I mRNA encode for type I collagen and they have a unique 5' stem-loop structure in their 5' untranslated regions (5'SL. Collagen 5'SL binds protein LARP6 with high affinity and specificity. The interaction between LARP6 and the 5'SL is critical for biosynthesis of type I collagen and development of fibrosis in vivo. Therefore, this interaction represents is an ideal target to develop antifibrotic drugs. A high throughput system to screen for chemical compounds that can dissociate LARP6 from 5'SL has been developed. It is based on fluorescence polarization and can be adapted to screen for inhibitors of other protein-RNA interactions. Screening of 50,000 chemical compounds yielded a lead compound that can inhibit type I collagen synthesis at nanomolar concentrations. The development, characteristics, and critical appraisal of this assay are presented.

  13. Energetics of ternary nitride formation in the (Li,Ca)-(B,Al)-N system

    International Nuclear Information System (INIS)

    High-temperature oxide melt drop solution calorimetry was used to study the energetics of nitride formation. The standard enthalpies of formation of several binary and ternary nitrides were determined. These values (in kJ mol-1) are as follows: ΔHf degree (AlN) = -311.1 ± 4.3, ΔHf degree (Li3BN2) = -534.5 ± 16.7, ΔHf degree (Li3AlN2) = -567.8 ± 12.4, and ΔHf degree (Ca3B2N4) = -1062.1 ± 15.4. From these values and others available in the literature, the enthalpies of formation of the ternary nitrides from the binary nitrides were calculated. The energetics of ternary nitride formation appear to be dominated by differences in the acid/base character of the cations

  14. PMGA and its application in area and power optimization for ternary FPRM circuit

    Science.gov (United States)

    Pengjun, Wang; Kangping, Li; Huihong, Zhang

    2016-01-01

    Based on the research of population migration algorithms (PMAs), a population migration genetic algorithm (PMGA) is proposed, combining a PMA with a genetic algorithm. A scheme of area and power optimization for a ternary FPRM circuit is proposed by using the PMGA. Firstly, according to the ternary FPRM logic function expression, area and power estimation models are established. Secondly, the PMGA is used to search for the best area and power polarity. Finally, 10 MCNC Benchmark circuits are used to verify the effectiveness of the proposed method. The results show that the ternary FPRM circuits optimized by the PMGA saved 13.33% area and 20.00% power on average than the corresponding FPRM circuits optimized by a whole annealing genetic algorithm. Project supported by the Natural Science Foundation of Zhejiang Province (No. LY13F040003), the National Natural Science Foundation of China (Nos. 61234002, 61306041), and the K. C. Wong Magna Fund in Ningbo University.

  15. Synthesis and in Silico Evaluation of Novel Compounds for PET-Based Investigations of the Norepinephrine Transporter

    Directory of Open Access Journals (Sweden)

    Catharina Neudorfer

    2015-01-01

    Full Text Available Since the norepinephrine transporter (NET is involved in a variety of diseases, the investigation of underlying dysregulation-mechanisms of the norepinephrine (NE system is of major interest. Based on the previously described highly potent and selective NET ligand 1-(3-(methylamino-1-phenylpropyl-3-phenyl-1,3-dihydro-2H-benzimidaz- ol-2-one (Me@APPI, this paper aims at the development of several fluorinated methylamine-based analogs of this compound. The newly synthesized compounds were computationally evaluated for their interactions with the monoamine transporters and represent reference compounds for PET-based investigation of the NET.

  16. A Solution-Based Temperature Sensor Using the Organic Compound CuTsPc

    Directory of Open Access Journals (Sweden)

    Shahino Mah Abdullah

    2014-06-01

    Full Text Available An electrochemical cell using an organic compound, copper (II phthalocyanine-tetrasulfonic acid tetrasodium salt (CuTsPc, has been fabricated and investigated as a solution-based temperature sensor. The capacitance and resistance of the ITO/CuTsPc solution/ITO chemical cell has been characterized as a function of temperature in the temperature range of 25–80 °C. A linear response with minimal hysteresis is observed. The fabricated temperature sensor has shown high consistency and sensitive response towards a specific range of temperature values.

  17. Compound parabolic concentrator optical fiber tip for FRET-based fluorescent sensors

    DEFF Research Database (Denmark)

    Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Soren; Bang, Ole

    2015-01-01

    The Compound Parabolic Concentrator (CPC) optical fiber tip shape has been proposed for intensity based fluorescent sensors working on the principle of FRET (Förster Resonance Energy Transfer). A simple numerical Zemax model has been used to optimize the CPC tip geometry for a step-index multimode...... polymer optical fiber for an excitation and emission wavelength of 550 nm and 650nm, respectively. The model suggests an increase of a factor of 1.6 to 4 in the collected fluorescent power for an ideal CPC tip, as compared to the plane-cut fiber tip for fiber lengths between 5 and 45mm...

  18. Azo compounds on base of N-oxide of 8-hydroxyquinoline - new class of organic reagents

    International Nuclear Information System (INIS)

    Azo derivatives of N-oxide of 8-hydroxyquinoline have been synthesized and studied for the first time as organic reagents. The spectrophotometric characteristics of these reagents have been defined. Color reactions of the reagents with Ni, Cd, Fe(2), Zr(4) and Ti(4) have been studied. Most complexes of azo compounds based on N-oxide of 8-hydroxyquinoline with metal ions are readily soluble in oxygen-containing organic solvents, which is indicative of their being suitable for use in extraction-photometric determination of elements

  19. Thin film tandem solar cells based on II-VI compounds

    Science.gov (United States)

    Bloss, W. H.; Kimmerle, J.; Pfisterer, F.; Schock, H. W.

    The R & D efforts for the production of thin film tandem solar cells are presented. The tandem structures are based on II-VIand related compounds and are arranged as electrically isolated (4-terminal) cascades. For the high-bandgap part the material combinations under investigation are p-ZnTe/n-Zn(x)Cd(1-x)S, pn-ZnSe(y)Te(1-y), and p-CuGaSe2/n-Zn(x)Cd(1-x)S. The preliminary results of the investigations on all systems are promising; open circuit voltages of 1.3 V have been achieved.

  20. Charge-transfer complexes of pyrimidine Schiff bases with aromatic nitro compounds

    Science.gov (United States)

    Issa, Yousry M.; El Ansary, A. L.; Sherif, O. E.; Hassib, H. B.

    2011-08-01

    Charge-transfer (CT) complexes of pyrimidine Schiff bases, derived from condensation of 2-aminopyrimidine and substituted benzaldehydes, with some aromatic polynitro compounds were prepared and investigated using IR, UV, visible and 1H NMR spectroscopy. For all solid complexes, the main interaction between the donor and acceptor molecules takes place through the π-π* interaction. Strong and some weak acidic acceptors, in addition interact through proton transfer from the acceptor molecule to the basic centre of the electron donor. Also, an n-π* transition was detected in some complexes.

  1. A Solution-Based Temperature Sensor Using the Organic Compound CuTsPc

    OpenAIRE

    Shahino Mah Abdullah; Zubair Ahmad; Khaulah Sulaiman

    2014-01-01

    An electrochemical cell using an organic compound, copper (II) phthalocyanine-tetrasulfonic acid tetrasodium salt (CuTsPc,) has been fabricated and investigated as a solution-based temperature sensor. The capacitance and resistance of the ITO/CuTsPc solution/ITO chemical cell has been characterized as a function of temperature in the temperature range of 25–80 °C. A linear response with minimal hysteresis is observed. The fabricated temperature sensor has shown high consistency and sensitive...

  2. Aqueous two-phase system based on natural quaternary ammonium compounds for the extraction of proteins.

    Science.gov (United States)

    Zeng, Chao-Xi; Xin, Rui-Pu; Qi, Sui-Jian; Yang, Bo; Wang, Yong-Hua

    2016-02-01

    Aqueous two-phase systems, based on the use of natural quaternary ammonium compounds, were developed to establish a benign biotechnological route for efficient protein separation. In this study, aqueous two-phase systems of two natural resources betaine and choline with polyethyleneglycol (PEG400/600) or inorganic salts (K2 HPO4 /K3 PO4 ) were formed. It was shown that in the K2 HPO4 -containing aqueous two-phase system, hydrophobic interactions were an important driving force of protein partitioning, while protein size played a vital role in aqueous two-phase systems that contained polyethylene glycol. An extraction efficiency of more than 90% for bovine serum albumin in the betaine/K2 HPO4 aqueous two-phase system can be obtained, and this betaine-based aqueous two-phase system provided a gentle and stable environment for the protein. In addition, after investigation of the cluster phenomenon in the betaine/K2 HPO4 aqueous two-phase systems, it was suggested that this phenomenon also played a significant role for protein extraction in this system. The development of aqueous two-phase systems based on natural quaternary ammonium compounds not only provided an effective and greener method of aqueous two-phase system to meet the requirements of green chemistry but also may help to solve the mystery of the compartmentalization of biomolecules in cells. PMID:26447826

  3. High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Daniel A. Mosher; Xia Tang; Ronald J. Brown; Sarah Arsenault; Salvatore Saitta; Bruce L. Laube; Robert H. Dold; Donald L. Anton

    2007-07-27

    This final report describes the motivations, activities and results of the hydrogen storage independent project "High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides" performed by the United Technologies Research Center under the Department of Energy Hydrogen Program, contract # DE-FC36-02AL67610. The objectives of the project were to identify and address the key systems technologies associated with applying complex hydride materials, particularly ones which differ from those for conventional metal hydride based storage. This involved the design, fabrication and testing of two prototype systems based on the hydrogen storage material NaAlH4. Safety testing, catalysis studies, heat exchanger optimization, reaction kinetics modeling, thermochemical finite element analysis, powder densification development and material neutralization were elements included in the effort.

  4. Efficient fluorescent deep-blue and hybrid white emitting devices based on carbazole/benzimidazole compound

    KAUST Repository

    Yang, Xiaohui

    2011-07-28

    We report the synthesis, photophysics, and electrochemical characterization of carbazole/benzimidazole-based compound (Cz-2pbb) and efficient fluorescent deep-blue light emitting devices based on Cz-2pbb with the peak external quantum efficiency of 4.1% and Commission Internationale dÉnclairage coordinates of (0.16, 0.05). Efficient deep-blue emission as well as high triplet state energy of Cz-2pbb enables fabrication of hybrid white organic light emitting diodes with a single emissive layer. Hybrid white emitting devices based on Cz-2pbb show the peak external quantum efficiency exceeding 10% and power efficiency of 14.8 lm/W at a luminance of 500 cd/m2. © 2011 American Chemical Society.

  5. PHYTO-BIOLOGICAL TESTING OF SOME FLAVONOID COMPOUNDS OF VEGETAL ORIGIN Note 3. PHYTO-BIOLOGICAL TESTING OF SOME FLAVONOID COMPOUNDS-BASED PRODUCTS

    OpenAIRE

    Ruxandra Cretu; Elvira Gille; Doina Danila; Florin Floria; Roxana Mihailescu

    2006-01-01

    . Some flavonoid compounds- based products were tested in order to evaluate the possible phytotoxic and cytogenetic effects. The tests were done on Triticum aestivum L. (Dropia cultivar). We have analized the following parameters: the germination percent, root and stem growth, fresh and dry weight of root and stem and fresh/dried mass ratio respectively, ana- telophasis frequency from root meristem with chromosomal aberrations. These products includ vegetal extracts of Medica...

  6. Phase diagram of the Nb-Al-Si ternary system

    International Nuclear Information System (INIS)

    A high-efficiency diffusion-multiple approach was employed to map the phase diagram of the Nb-Al-Si ternary system which is very valuable for the design of niobium silicide-based composites. These composites have high potential as a replacement for Ni-base superalloys for jet engine applications. Aluminum is an alloying element for these composites, thus the Nb-Al-Si phase diagram, especially solubility of Al in Nb5Si3, is important information for the composite design. An isothermal section at 1000 deg. C was constructed from the results obtained from a diffusion multiple using scanning electron microscopy (SEM) and electron probe microanalysis (EPMA). A ternary phase Nb3Si5Al2 was observed. The solubility data of Al in αNb5Si3 and NbSi2 as well as Si solubility in Nb3Al, Nb2Al and NbAl3 were obtained. The new isothermal section helps to judge the reliability of the existing literature results and to add new data to the Nb-Al-Si phase equilibria

  7. A novel tyrosinase biosensor based on hydroxyapatite-chitosan nanocomposite for the detection of phenolic compounds

    International Nuclear Information System (INIS)

    A novel tyrosinase biosensor based on hydroxyapatite nanoparticles (nano-HA)-chitosan nanocomposite has been developed for the detection of phenolic compounds. The uniform and size controlled nano-HA was synthesized by hydrothermal method, and its morphological characterization was examined by transmission electron microscope (TEM). Tyrosinase was then immobilized on a nano-HA-chitosan nanocomposite-modified gold electrode. Electrochemical impedance spectroscopy and cyclic voltammetry were used to characterize the sensing film. The prepared biosensor was applied to determine phenolic compounds by monitoring the reduction signal of the biocatalytically produced quinone species at -0.2 V (vs. saturated calomel electrode). The effects of the pH, temperature and applied potential on the biosensor performance were investigated, and experimental conditions were optimized. The biosensor exhibited a linear response to catechol over a wide concentration range from 10 nM to 7 μM, with a high sensitivity of 2.11 x 103 μA mM-1 cm-2, and a limit of detection down to 5 nM (based on S/N = 3). The apparent Michaelis-Menten constants of the enzyme electrode were estimated to be 3.16, 1.31 and 3.52 μM for catechol, phenol and m-cresol, respectively. Moreover, the stability and reproducibility of this biosensor were evaluated with satisfactory results.

  8. A novel tyrosinase biosensor based on hydroxyapatite-chitosan nanocomposite for the detection of phenolic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lu Limin; Zhang Li [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); State Key Laboratory of Fine Chemicals, Dalian University of Technology, 158 Zhongshan Road, Dalian 116012 (China); Zhang Xiaobing, E-mail: xbzhang@hnu.cn [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); State Key Laboratory of Fine Chemicals, Dalian University of Technology, 158 Zhongshan Road, Dalian 116012 (China); Huan Shuangyan; Shen Guoli; Yu Ruqin [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); State Key Laboratory of Fine Chemicals, Dalian University of Technology, 158 Zhongshan Road, Dalian 116012 (China)

    2010-04-30

    A novel tyrosinase biosensor based on hydroxyapatite nanoparticles (nano-HA)-chitosan nanocomposite has been developed for the detection of phenolic compounds. The uniform and size controlled nano-HA was synthesized by hydrothermal method, and its morphological characterization was examined by transmission electron microscope (TEM). Tyrosinase was then immobilized on a nano-HA-chitosan nanocomposite-modified gold electrode. Electrochemical impedance spectroscopy and cyclic voltammetry were used to characterize the sensing film. The prepared biosensor was applied to determine phenolic compounds by monitoring the reduction signal of the biocatalytically produced quinone species at -0.2 V (vs. saturated calomel electrode). The effects of the pH, temperature and applied potential on the biosensor performance were investigated, and experimental conditions were optimized. The biosensor exhibited a linear response to catechol over a wide concentration range from 10 nM to 7 {mu}M, with a high sensitivity of 2.11 x 10{sup 3} {mu}A mM{sup -1} cm{sup -2}, and a limit of detection down to 5 nM (based on S/N = 3). The apparent Michaelis-Menten constants of the enzyme electrode were estimated to be 3.16, 1.31 and 3.52 {mu}M for catechol, phenol and m-cresol, respectively. Moreover, the stability and reproducibility of this biosensor were evaluated with satisfactory results.

  9. Sensitive properties of In-based compound semiconductor oxide to C12 gas

    Institute of Scientific and Technical Information of China (English)

    Zhao Wenjie; Shi Yunbo; Xiu Debin; Lei Tingping; Feng Qiaohua; Wang Liquan

    2009-01-01

    Aiming at detecting C12 gas, this study was made on how to make In-based compound semiconductor oxide gas sensor. The micro-property and sensitivity of In-based gas sensing material were analyzed and its gas sensitive mechanism was also discussed. Adopting constant temperature chemical coprecipitation, the compound oxides such as In-Nb, In-Cd and In-Mg were synthesized, respectively. The products were sintered at 600 ℃ and characterized by the Scanning Electron Microscope (SEM), showing the grain size almost about 50-60 nm. The test results show that the sensitivities of In-Nb, In-Cd and In-Mg materials under the concentration of 50 x 10-6 in C12 gas are above 100 times, 4 times and 10 times, respectively. The response time of In-Nb, In-Cd and In-Mg materials is about 30, 60 and 30 s, and the recovery time less than 2, 10 and 2 min, respectively. Among them, the In-Nb material was found to have a relatively high conductivity and ideal sensitivity to C12 gas, which showed rather good selectivity and stability, and could detect the minimum concentration of 0.5 x 10-6 with the sensitivity of 2.2, and the upper limit concentration of 500 ×10-6. The power loss of the device is around 220 mW under the heating voltage of 3 V.

  10. Ab initio guided design of bcc ternary Mg-Li-X (x = Ca, Al, Si, Zn, Cu) alloys for ultra-lightweight applications

    Energy Technology Data Exchange (ETDEWEB)

    Counts, William Art; Friak, Martin; Raabe, Dierk; Neugebauer, Joerg [Max-Planck-Institut fuer Eisenforschung GmbH, Duesseldorf (Germany)

    2010-07-15

    Ab initio calculations are becoming increasingly important for designing new alloys as these calculations can accurately predict basic structural, mechanical, and functional properties using only the atomic composition as a basis. In this paper, fundamental physical properties (like formation energies and elastic constants) of a set of bcc Mg-Li and Mg-Li-based compounds are calculated using density functional theory (DFT). These DFT-determined properties are in turn used to calculate engineering parameters such as (i) specific Young's modulus (Y/{rho}) or (ii) shear over bulk modulus ratio (G/B) differentiating between brittle and ductile behavior. These parameters are then used to identify those alloys that have optimal mechanical properties for lightweight structural applications. First, in case of the binary Mg-Li system, an Ashby map containing Y/{rho} versus G/B shows that it is not possible to increase Y/{rho} without simultaneously increasing G/B (i.e., brittleness) by changing only the composition of a binary alloy. In an attempt to bypass such a fundamental materials-design limitation, a set of Mg-Li-X ternaries (X = Ca, Al, Si, Cu, Zn) based on stoichiometric Mg-Li with CsCl structure was studied. It is shown that none of the studied ternary solutes is able to simultaneously improve both specific Young's modulus and ductility. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  11. Energetics of ternary nitrides: Li-Ca-Zn-N and Ca-Ta-N systems

    Energy Technology Data Exchange (ETDEWEB)

    McHale, J.M.; Navrotsky, A. [Princeton Univ., NJ (United States); Kowach, G.R.; Balbarin, V.E.; DiSalvo, F.J. [Cornell Univ., Ithaca, NY (United States)

    1997-07-01

    High-temperature oxide melt drop solution calorimetry was used to study the energetics of ternary nitride formation. The standard enthalpies of formation of several binary and ternary nitrides were determined. These values in kJ mol{sup {minus}1} are {Delta}H{sub f}{degrees}(Li{sub 3}N) = {minus}166.1 {+-} 4.8, {Delta}H{sub f}{degrees}(Ca{sub 3}N{sub 2}) = 439.7{+-} 6.6, {Delta}H{sub f}{degrees}(Zn{sub 3}N{sub 2}) = 43.5 {+-} 4.1, {Delta}H{sub f}{degrees}(Ta{sub 3}N{sub 5}) = 849.7 {+-} 11.7, {Delta}H{sub f}{degrees}(Ca{sub 2}ZnN{sub 2}) = {minus}378.9 {+-} 8.6, {Delta}H{sub f}{degrees}(Sr{sub 2}ZnN{sub 2}) = {minus}385.6 {+-} 14.3, {Delta}H{sub f}{degrees}(LiCaN) = {minus}216.8 {+-} 10.8, {Delta}H{sub f}{degrees}(LiZnN) = {minus}137.5 {+-} 6.8, and {Delta}H{sub f}{degrees}(CaTaN{sub 2}) = 1643.8 {+-} 9.6. These enthalpies of formation are small in magnitude compared to analogous values for oxides. However, the enthalpies of formation of the ternaries from binary nitrides can be quite substantial, confirming significant energetic stabilization of ternary nitrides. The energetics of ternary nitride formation appears to be dominated by the acid/base character of the cations. A linear relationship was found between the enthalpies of formation of the ternaries from binary nitrides and the ionic potential ratio of the two cations. 43 refs., 4 tabs.

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

    International Nuclear Information System (INIS)

    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 Ni3Sn2 (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 Ni3Sn2, 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Jandl, Isabella, E-mail: Isabella.jandl@univie.ac.at; Ipser, Herbert; Richter, Klaus W.

    2015-11-15

    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{sub 3}Sn{sub 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{sub 3}Sn{sub 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.

  14. Research of Compound Control for DC Motor System Based on Global Sliding Mode Disturbance Observer

    Directory of Open Access Journals (Sweden)

    He Zhang

    2014-01-01

    Full Text Available Aiming at the problems of modeling errors, parameter variations, and load moment disturbances in DC motor control system, one global sliding mode disturbance observer (GSMDO is proposed based on the global sliding mode (GSM control theory. The output of GSMDO is used as the disturbance compensation in control system, which can improve the robust performance of DC motor control system. Based on the designed GSMDO in inner loop, one compound controller, composed of a feedback controller and a feedforward controller, is proposed in order to realize the position tracking of DC motor system. The gains of feedback controller are obtained by means of linear quadratic regulator (LQR optimal control theory. Simulation results present that the proposed control scheme possesses better tracking properties and stronger robustness against modeling errors, parameter variations, and friction moment disturbances. Moreover, its structure is simple; therefore it is easy to be implemented in engineering.

  15. Yeast-Based High-Throughput Screens to Identify Novel Compounds Active against Brugia malayi.

    Directory of Open Access Journals (Sweden)

    Elizabeth Bilsland

    2016-01-01

    Full Text Available Lymphatic filariasis is caused by the parasitic worms Wuchereria bancrofti, Brugia malayi or B. timori, which are transmitted via the bites from infected mosquitoes. Once in the human body, the parasites develop into adult worms in the lymphatic vessels, causing severe damage and swelling of the affected tissues. According to the World Health Organization, over 1.2 billion people in 58 countries are at risk of contracting lymphatic filariasis. Very few drugs are available to treat patients infected with these parasites, and these have low efficacy against the adult stages of the worms, which can live for 7-15 years in the human body. The requirement for annual treatment increases the risk of drug-resistant worms emerging, making it imperative to develop new drugs against these devastating diseases.We have developed a yeast-based, high-throughput screening system whereby essential yeast genes are replaced with their filarial or human counterparts. These strains are labeled with different fluorescent proteins to allow the simultaneous monitoring of strains with parasite or human genes in competition, and hence the identification of compounds that inhibit the parasite target without affecting its human ortholog. We constructed yeast strains expressing eight different Brugia malayi drug targets (as well as seven of their human counterparts, and performed medium-throughput drug screens for compounds that specifically inhibit the parasite enzymes. Using the Malaria Box collection (400 compounds, we identified nine filarial specific inhibitors and confirmed the antifilarial activity of five of these using in vitro assays against Brugia pahangi.We were able to functionally complement yeast deletions with eight different Brugia malayi enzymes that represent potential drug targets. We demonstrated that our yeast-based screening platform is efficient in identifying compounds that can discriminate between human and filarial enzymes. Hence, we are confident

  16. BACTERIAL DNA GYRASE IS NOT THE TARGET OF QUINOLINE-BASED ANTI-TUBERCULOSIS COMPOUNDS

    Directory of Open Access Journals (Sweden)

    Verma Rahul

    2013-01-01

    Full Text Available Few quinoline-based synthetic compounds (2, 8 Dicyclopentyl-4-methyl quinoline and 2, 8 Dicyclohexyl-4-methyl quinoline, the synthesis of which have been already shown by our medicinal chemistry group, were found to be potent inhibitor of mycobacterial growth. Based on the results of cell culture-based cell killing assays using DNA gyrase positive E. coli strains, we presumed that bacterial DNA gyrase might be a probable target of quinolines. The resemblance of the basic skeletal structural moiety of quinolone and quinoline inspired us to hypothesize that these quinolines might inhibit DNA gyrase. While the non-gyrase inhibitors like ethambutol and isoniazid did not inhibit the growth of these strains. The genesis of the notion of using E. coli DNA gyrase as an alternative to DNA gyrase from the pathogenic Mycobacterium, stems from the fact that E. coli DNA gyrase is found to be about eighty times more sensitive to the action of quinolones than the Mycobacterium DNA gyrase. Therefore, we had used E. coli DNA gyrase as a model enzyme for studying the action of some synthetic quinoline compounds synthesized by us. In the present work, we have used cell killing assay, gel electrophoresis assay (for DNA supercoiling and UV spectroscopy-based coupled assay (for ATP hydrolysis for characterizing the activity of DNA gyrase. Quinolones exhibited low IC50 values as compared to the studied quinolines on DNA gyrase positive E. coli strains We found that although quinolones are the potent inhibitors of supercoiling activity of E. coli DNA gyrase, quinolines are not. We further found that ATPase activity of E. coli DNA gyrase (Non-specific inhibitor was inhibited to a very minor extent in the presence of very high concentration of these synthetic quinolines. DNA gyrase is not the primary target of these synthetic quinolines (2, 8 Dicyclopentyl-4-methyl quinoline and 2, 8 Dicyclohexyl-4-methyl quinoline.

  17. Superconducting state parameters of ternary metallic glasses

    Indian Academy of Sciences (India)

    Aditya M Vora

    2011-12-01

    The well-known empty core (EMC) model potential of Ashcroft was used to study the theoretical investigation of the superconducting state parameters (SSP) viz. electron–phonon coupling strength , Coulomb pseudopotential $\\mu^{\\ast}$, transition temperature $T_{C}$, isotope effect exponent and effective interaction strength $N_{O}V$ of some ternary metallic glasses. Most recent local field correction function due to Sarkar et al is used to study the screening influence on the aforesaid properties. Quadratic $T_{C}$ equations have been proposed and found successful. Also, the present findings are found to be in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in the ternary superconductors. The pseudo-alloy-atom (PAA) model was applied for the first time instead of Vegard’s law.

  18. Modulated Binary-Ternary Dual Semiconductor Heterostructures.

    Science.gov (United States)

    Prusty, Gyanaranjan; Guria, Amit K; Mondal, Indranil; Dutta, Anirban; Pal, Ujjwal; Pradhan, Narayan

    2016-02-18

    A generic modular synthetic strategy for the fabrication of a series of binary-ternary group II-VI and group I-III-VI coupled semiconductor nano-heterostructures is reported. Using Ag2 Se nanocrystals first as a catalyst and then as sacrificial seeds, four dual semiconductor heterostructures were designed with similar shapes: CdSe-AgInSe2 , CdSe-AgGaSe2 , ZnSe-AgInSe2 , and ZnSe-AgGaSe2 . Among these, dispersive type-II heterostructures are further explored for photocatalytic hydrogen evolution from water and these are observed to be superior catalysts than the binary or ternary semi-conductors. Details of the chemistry of this modular synthesis have been studied and the photophysical processes involved in catalysis are investigated. PMID:26800297

  19. Self-assembled ternary complexes stabilized with hyaluronic acid-green tea catechin conjugates for targeted gene delivery.

    Science.gov (United States)

    Liang, Kun; Bae, Ki Hyun; Lee, Fan; Xu, Keming; Chung, Joo Eun; Gao, Shu Jun; Kurisawa, Motoichi

    2016-03-28

    Nanosized polyelectrolyte complexes are attractive delivery vehicles for the transfer of therapeutic genes to diseased cells. Here we report the application of self-assembled ternary complexes constructed with plasmid DNA, branched polyethylenimine and hyaluronic acid-green tea catechin conjugates for targeted gene delivery. These conjugates not only stabilize plasmid DNA/polyethylenimine complexes via the strong DNA-binding affinity of green tea catechin, but also facilitate their transport into CD44-overexpressing cells via receptor-mediated endocytosis. The hydrodynamic size, surface charge and physical stability of the complexes are characterized. We demonstrate that the stabilized ternary complexes display enhanced resistance to nuclease attack and polyanion-induced dissociation. Moreover, the ternary complexes can efficiently transfect the difficult-to-transfect HCT-116 colon cancer cell line even in serum-supplemented media due to their enhanced stability and CD44-targeting ability. Confocal microscopic analysis demonstrates that the stabilized ternary complexes are able to promote the nuclear transport of plasmid DNA more effectively than binary complexes and hyaluronic acid-coated ternary complexes. The present study suggests that the ternary complexes stabilized with hyaluronic acid-green tea catechin conjugates can be widely utilized for CD44-targeted delivery of nucleic acid-based therapeutics. PMID:26855049

  20. Iron based superconductors and related compounds synthesized by solid state metathesis and high temperature reactions

    Energy Technology Data Exchange (ETDEWEB)

    Frankovsky, Rainer

    2013-06-03

    The results of this thesis can be divided into three major topics, which can also be seen as different approaches of solid state chemistry to reveal interesting features of known and unknown compounds and to develop alternative synthesis routes. Firstly, known compounds with related structural motifs to the superconducting iron-arsenides were investigated regarding their structural and physical properties. In case of La{sub 3}Pd{sub 4}Ge{sub 4} the influence of Fe doping on the properties was studied, whereas in the series ZrMAs (M=Ti,V) the physical properties have not yet been reported at all and were investigated for the first time. Secondly, an alternative synthesis route has been developed for the synthesis of superconducting LaFeAsO{sub 1-x}F{sub x}. This solid state metathesis reaction distinctly increased the quality of the samples compared to conventionally prepared products. Furthermore, the reaction pathway was investigated and clarified, which helps to understand the processes during high temperature solid state metathesis reactions in general. Thirdly, this alternative synthesis route was expanded to other systems and new compounds like co-substituted LaFe{sub 1-x}Mn{sub x}AsO{sub 1-y}F{sub y} were prepared and thoroughly investigated. This led to a complex study of the interplay of magnetism, electronic and structural conditions and the occurrence of superconducting properties. The investigation and understanding of such complex coherences will probably be decisive for the further understanding of the superconducting mechanism in iron based superconductors.

  1. Microbial trench-based optofluidic system for reagentless determination of phenolic compounds.

    Science.gov (United States)

    Sanahuja, David; Giménez-Gómez, Pablo; Vigués, Núria; Ackermann, Tobias Nils; Guerrero-Navarro, Alfons Eduard; Pujol-Vila, Ferran; Sacristán, Jordi; Santamaria, Nidia; Sánchez-Contreras, María; Díaz-González, María; Mas, Jordi; Muñoz-Berbel, Xavier

    2015-04-01

    Phenolic compounds are one of the main contaminants of soil and water due to their toxicity and persistence in the natural environment. Their presence is commonly determined with bulky and expensive instrumentation (e.g. chromatography systems), requiring sample collection and transport to the laboratory. Sample transport delays data acquisition, postponing potential actions to prevent environmental catastrophes. This article presents a portable, miniaturized, robust and low-cost microbial trench-based optofluidic system for reagentless determination of phenols in water. The optofluidic system is composed of a poly(methyl methacrylate) structure, incorporating polymeric optical elements and miniaturized discrete auxiliary components for optical transduction. An electronic circuit, adapted from a lock-in amplifier, is used for system control and interfering ambient light subtraction. In the trench, genetically modified bacteria are stably entrapped in an alginate hydrogel for quantitative determination of model phenol catechol. Alginate is also acting as a diffusion barrier for compounds present in the sample. Additionally, the superior refractive index of the gel (compared to water) confines the light in the lower level of the chip. Hence, the optical readout of the device is only altered by changes in the trench. Catechol molecules (colorless) in the sample diffuse through the alginate matrix and reach bacteria, which degrade them to a colored compound. The absorbance increase at 450 nm reports the presence of catechol simply, quickly (~10 min) and quantitatively without addition of chemical reagents. This miniaturized, portable and robust optofluidic system opens the possibility for quick and reliable determination of environmental contamination in situ, thus mitigating the effects of accidental spills. PMID:25669844

  2. Carbonation of ternary building cementing materials

    OpenAIRE

    Fernández Carrasco, Lucía; Torrens Martín, David; Martínez Ramírez, Sagrario

    2012-01-01

    The carbonation processes of ettringite and calcium aluminate hydrates phases developed by hydration of calcium aluminate cement, fly ash and calcium sulphate ternary mixtures have been studied. The hydrated samples were submitted to 4% of CO2 in a carbonation chamber, and were analysed, previous carbonation and after 14 and 90 days of carbonation time, by infrared spectroscopy and X-ray diffraction; the developed morphology was performed with the 14 days carbonated samples. The results evide...

  3. The novel eutectic microstructures of Si-Mn-P ternary alloy

    International Nuclear Information System (INIS)

    The microstructures of Si-Mn-P alloy manufactured by the technique of combining phosphorus transportation and alloy melting were investigated using electron probe micro-analyzer (EPMA). The phase compositions were determined by energy spectrum and the varieties of eutectic morphologies were discussed. It is found that there is no ternary compound but Si, MnP and MnSi1.75-x could appear when the Si-Mn-P alloy's composition is proper. Microstructure is greatly refined by rapid solidification technique and the amount of eutectic phases change with faster cooling rates. Moreover, primary Si or MnP are surrounded firstly by the binary eutectic (Si + MnP) and then the ternary eutectic (Si + MnSi1.75-x + MnP) which also exhibit binary structures due to divorced eutectic determined by the particularity of some Si-Mn-P alloys.

  4. A study of phase separation in ternary alloys

    Indian Academy of Sciences (India)

    Saswata Bhattacharyya; T A Abinandanan

    2003-01-01

    We have studied the evolution of microstructure when a disordered ternary alloy is quenched into a ternary miscibility gap. We have used computer simulations based on multicomponent Cahn–Hilliard (CH) equations for A and B, the compositions (in mole fraction) of A and B, respectively. In this work, we present our results on the effect of relative interfacial energies on the temporal evolution of morphologies during spinodal phase separation of an alloy with average composition, A = 1/4, B = 1/4 and A = 1/2. Interfacial energies between the ‘A’ rich, ‘B’ rich and ‘C’ rich phases are varied by changing the gradient energy coefficients. The phases associated with a higher interfacial energy are found to be more rounded than those with lower energy. Further, the kinetic paths (i.e. the history of A-rich, B-rich and C-rich regions in the microstructure) are also affected significantly by the relative interfacial energies of the three phases.

  5. Convective instabilities of ternary mixtures in thermogravitational columns

    Science.gov (United States)

    Zebib, Abdelfattah

    2007-11-01

    Convective instabilities in side heated infinite vertical slots containing a single fluid are stationary, shear driven when the Prandtl number Pr12.5 due to the diminished influence of the thermal diffusivity with increasing Pr. Here we examine the influence of the concentration field generated by thermodiffusion in a ternary mixture of otherwise uniform concentration on this phenomenon. We first derive expressions and calculate the basic steady one-dimensional flow taking into account the vertical concentration gradients caused by thermodiffusion. Linear stability of this basic state is performed and the critical Rayleigh number, wavenumber, frequency, and vertical concentration gradients are determined as function of the two separation ratios, ratio of thermal expansivities, four Lewis numbers, and Pr. The results are in agreement with the base flow of the ternary mixture considered by Leahy-Dios et al., J. Chem. Phys. (2005). Stability results are in agreement with those from a simplified model in the long wave approximation as well as when restricted to binary mixtures. Stability restrictions on the operation of the thermogravitational column will be discussed.

  6. X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.

    Science.gov (United States)

    Ciccone, Lidia; Nencetti, Susanna; Rossello, Armando; Tepshi, Livia; Stura, Enrico A; Orlandini, Elisabetta

    2016-10-01

    Transthyretin (TTR) is a 54 kDa homotetrameric protein that transports thyroxine (T4) and retinol (vitamin A), through its association with retinol binding protein (RBP). Under unknown conditions, it aggregates to form fibrils associated with TTR amyloidosis. Ligands able to inhibit fibril formation have been studied by X-ray crystallography. The use of polyethylene glycol (PEG) instead of ammonium sulphate or citrate has been evaluated as an alternative to obtain new TTR complexes with (R)-3-(9-fluoren-9-ylideneaminooxy)-2-methyl-N-(methylsulfonyl) propionamide (48R(1)) and 2-(9H-fluoren-9-ylideneaminooxy) acetic acid (ES8(2)). The previously described fluorenyl based inhibitors (S)-3-((9H-fluoren-9-ylideneamino)oxy)-2-methylpropanoic acid (6BD) and 3-((9H-fluoren-9-ylideneamino)oxy)propanoic acid (7BD) have been re-evaluated with the changed crystallization method. The new TTR complexes with compounds of the same family show that the 9-fluorenyl motif can occupy alternative hydrophobic binding sites. This augments the potential use of this scaffold to yield a large variety of differently substituted mono-aryl compounds able to inhibit TTR fibril formation. PMID:26235916

  7. Corrosion inhibition of mild steel by some schiff base compounds in hydrochloric acid

    International Nuclear Information System (INIS)

    The corrosion inhibition of mild steel in 1 M HCl by benzylidene-pyridine-2-yl-amine (A), (4-benzylidene)-pyridine-2-yl-amine (B) and (4-chloro-benzylidene)-pyridine-2-yl-amine (C) has been studied at 25 deg. C using electrochemical and weight loss measurements. Polarization curves reveal that the used compounds are mixed type inhibitors. Results show that inhibition efficiency increases when the inhibitor concentration increases. The inhibition efficiency changes with the type of functional groups substituted on benzene ring. The experimentally obtained adsorption isotherms follow the Langmuir equation. The effect of temperature on the corrosion behavior in the presence of 10-2 M of inhibitors was studied in the temperature range of 25-43 deg. C. The associated activation energy of corrosion and other thermodynamic parameters have been determined. It has been found that all those schiff base compounds are excellent inhibitors. Obvious correlation was found between corrosion inhibition efficiency and quantum chemical parameters, using the linear and non-linear QSAR models. The obtained theoretical results have been compared with the experimental results

  8. Corrosion inhibition of mild steel by some schiff base compounds in hydrochloric acid

    Energy Technology Data Exchange (ETDEWEB)

    Ashassi-Sorkhabi, H.; ShAbani, B.; Seifzadeh, D

    2005-01-15

    The corrosion inhibition of mild steel in 1 M HCl by benzylidene-pyridine-2-yl-amine (A), (4-benzylidene)-pyridine-2-yl-amine (B) and (4-chloro-benzylidene)-pyridine-2-yl-amine (C) has been studied at 25 deg. C using electrochemical and weight loss measurements. Polarization curves reveal that the used compounds are mixed type inhibitors. Results show that inhibition efficiency increases when the inhibitor concentration increases. The inhibition efficiency changes with the type of functional groups substituted on benzene ring. The experimentally obtained adsorption isotherms follow the Langmuir equation. The effect of temperature on the corrosion behavior in the presence of 10{sup -2} M of inhibitors was studied in the temperature range of 25-43 deg. C. The associated activation energy of corrosion and other thermodynamic parameters have been determined. It has been found that all those schiff base compounds are excellent inhibitors. Obvious correlation was found between corrosion inhibition efficiency and quantum chemical parameters, using the linear and non-linear QSAR models. The obtained theoretical results have been compared with the experimental results.

  9. Cellulose oligomers production and separation for the synthesis of new fully bio-based amphiphilic compounds.

    Science.gov (United States)

    Billès, Elise; Onwukamike, Kelechukwu N; Coma, Véronique; Grelier, Stéphane; Peruch, Frédéric

    2016-12-10

    Cellulose oligomers are water-soluble, on the contrary to cellulose, which greatly increase their application range. In this study, cellulose oligomers were obtained from the acidic hydrolysis of cellulose with phosphoric acid. The global yield in water-soluble oligomers was around 23% with polymerization degree (DP) ranging from 1 to 12. The cellulose oligomers DP distribution was successfully reduced by differential solubilisation in methanol as one of the goals of this work was to avoid the use of a time-consuming full chromatographic separation. The methanol-soluble oligomers were mainly low DP (≤3). The oligomers of higher molar mass, composed of 42% of cellotetraose and 36% of cellopentaose, were then functionalized and coupled with stearic acid through azide-alkyne click chemistry to obtain amphiphilic compounds. The self-assembly of these new bio-based compounds was finally investigated by dynamic light scattering (DLS) and transmission electron microscopy (TEM) and their critical micellar concentration (CMC) was found to be in the same range as alkylmaltosides and alkylglucosides. PMID:27577903

  10. Basics of Ternary Algebras and their underlying Nambu Brackets

    International Nuclear Information System (INIS)

    Ternary algebras amount to closing systems of antisymmetrized trinomials of operators. The Filippov conditions (FI, which are not identities) for ternary algebras are contrasted to Bremner's identities dictated by associativity of operator products, and thus analogous to Jacobi identities. Maps of the known FI-compliant ternary algebras to underlying classical Nambu brackets are constructed, which then explain this compliance: FI-compliant ternary algebras are essentially classical Nambu brackets in disguise. In some cases involving infinite algebras, we show the classical limit may be obtained by a contraction of the quantal ternary algebra, and then explicitly realized through classical Nambu brackets. We illustrate this classical-contraction method on our Virasoro-Witt ternary algebra paradigm. The content of the talk is in the two references

  11. Rescuing compound bioactivity in a secondary cell-based screening by using γ-cyclodextrin as a molecular carrier

    Science.gov (United States)

    Claveria-Gimeno, Rafael; Vega, Sonia; Grazu, Valeria; de la Fuente, Jesús M; Lanas, Angel; Velazquez-Campoy, Adrian; Abian, Olga

    2015-01-01

    In vitro primary screening for identifying bioactive compounds (inhibitors, activators or pharmacological chaperones) against a protein target results in the discovery of lead compounds that must be tested in cell-based efficacy secondary screenings. Very often lead compounds do not succeed because of an apparent low potency in cell assays, despite an excellent performance in primary screening. Primary and secondary screenings differ significantly according to the conditions and challenges the compounds must overcome in order to interact with their intended target. Cellular internalization and intracellular metabolism are some of the difficulties the compounds must confront and different strategies can be envisaged for minimizing that problem. Using a novel screening procedure we have identified 15 compounds inhibiting the hepatitis C NS3 protease in an allosteric fashion. After characterizing biophysically the interaction with the target, some of the compounds were not able to inhibit viral replication in cell assays. In order to overcome this obstacle and potentially improve cellular internalization three of these compounds were complexed with γ-cyclodextrin. Two of them showed a five- and 16-fold activity increase, compared to their activity when delivered as free compounds in solution (while γ-cyclodextrin did not show antiviral activity by itself). The most remarkable result came from a third compound that showed no antiviral activity in cell assays when delivered free in solution, but its γ-cyclodextrin complex exhibited a 50% effective concentration of 5 μM. Thus, the antiviral activity of these compounds can be significantly improved, even completely rescued, using γ-cyclodextrin as carrier molecule. PMID:25834436

  12. Experimental, theoretical and docking studies of 2-hydroxy Schiff base type compounds derived from 2-amino-4-chlorobenzenethiol

    Science.gov (United States)

    Kusmariya, Brajendra S.; Mishra, A. P.

    2015-12-01

    We report here synthesis, DFT, Docking and Fluorescence studies of three Schiff base organic compounds viz. 2-{(E)-[(5-chloro-2-sulfanylphenyl)imino]methyl}phenol (1); 2,4-dichloro-6-{(E)-[(5-chloro-2-sulfanylphenyl)imino]methyl}phenol (2) and 2-{(E)-[(5-chloro-2-sulfanylphenyl) imino] methyl}-5-(diethylamino) phenol (3). These compounds have been characterized by elemental, FTIR, electronic and 1H NMR spectral techniques. Spectroscopic studies reveal that all the compounds exist in enol-form in the solid state whereas keto and enol, both forms exist in solution. The fluorescence behavior has been studied in DMF solvents and 1 &2 compound exhibit more efficient fluorescence properties. The molecular geometry of all the compounds in the ground state has been computed using the Hartree-Fock (HF) and density functional theory (DFT) with the 6-31++G basis set. The theoretical electronic absorption spectra of the compounds have been predicted using TD-DFT and TD-HF methods and compared with experimental spectral results. The predicted nonlinear optical properties of all the compounds are higher than those of urea. In addition to DFT calculations; frequency calculations, mulliken charge distribution, HOMO-LUMO and molecular electrostatic potential (MEP) have also been computed at the same level of theory. Molecular docking studies of the compounds in the active site of CAII (PDB code: 1CNX) have been performed to predict their possible binding modes in the active site of target carbonic anhydrase II enzyme.

  13. Magnetism, superconductivity and their interplay. A study of three novel intermetallic compounds: La(Fe,Al)13, UNiSn, URu2Si2

    International Nuclear Information System (INIS)

    In this thesis the magnetic and superconducting properties are discussed for three novel types of intermetallic compounds. These compounds are studied with methods probing the magnetism, electrical transport and superconductivity. First, the LaFe13-type compounds were studied. The author establishes the magnetic phase diagram of La(Fe,Al)13, consisting of a mictomagnetic, ferromagnetic and antiferromagnetic regime. Second, uranium-based compounds were studied. In several equiatomic ternary (1-1-1) compounds (UNiSn, URu2Si2) they observed a broad variety of magnetic properties, ranging from local-moment magnetism to Kondo-lattice behaviour. Finally, the magnetic and superconducting properties are described for several RT2Si2 compounds, with T a transition metal. For R=Y, La and Lu type-I superconductivity was observed, which is explained with BCS-theory. (Auth.)

  14. Lanthanide Ternary Complexes Relevent to the Nuclear Fuel Cycle

    OpenAIRE

    Roughley, Georgina

    2012-01-01

    This project has been focused on modelling actinide behaviour using lanthanide analogues. Ternary complexes of Lanthanides-EDTA-Carbonate have been studied with techniques such as potentiometry and ultraviolet-visible absorption spectroscopy.It was found that ternary complexes of Ln-EDTA-Carbonate and Ln-EDTA-OH do exist for La, Eu and Lu. Log K values were calculated from potentiometry titrations which involve the formation of these ternary species. For lanthanum, the log K values for the co...

  15. Structural studies of the metal-rich region in the ternary Ta-Nb-S system

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Xiaoqiang.

    1991-10-07

    Six new solid solution type compounds have been prepared using high temperature techniques and characterized by means of single crystal x-ray techniques during a study of the metal-rich region of the ternary Ta-Nb-S system. The structures of Nb{sub x}Ta{sub 11-x}S{sub 4} are reminiscent of niobium-rich sulfides, rather than of tantalum-rich sulfides. The coordinations of sulfur are capped trigonal prismatic while the metal coordinations are capped distorted cubic prismatic for Nb{sub x}Ta{sub 11-x}S{sub 4}, and capped distorted cubic prismatic and pentagonal prismatic for Nb{sub 12-x}Ta{sub x}S{sub 4}. The structures of Nb{sub x}Ta{sub 5-x}S{sub 2} contain homoatomic layers sequenced S-M3-M2-M1-M2-M3-S (M is mixed Nb, Ta) generating six-layer sheets, respectively. Weak S-S interactions at 3.26 and 3.19{Angstrom} between sheets contrast with the M-M binding within and between the sheets in these two novel layered compounds. The former are presumably responsible for the observed graphitic slippage of the samples. Nb{sub 21-x}Ta{sub x}S{sub 8} and Nb{sub x}Ta{sub 2-x}S are isostructural with Nb{sub 21}S{sub 8} and Ta{sub 2}S, respectively. Extended Hueckel band calculations were carried out for two layered compounds, Nb{sub x}Ta{sub 5-x}S{sub 2} (x {approx} 1.72) and Nb{sub x}ta{sub 2-x}S (x {approx} 0.95). Based upon band calculations metallic properties can be expected for these two layered compounds. The relative preference of the metal sites for the two metal elements (Ta, Nb) in two layered compounds is explained by the results of the band calculations. 17 figs., 31 tabs., 80 refs.

  16. Graphene Based Electrochemical Sensor for the Detection of Volatile Organic Compounds

    Institute of Scientific and Technical Information of China (English)

    Yixin Zhang; Kim KT Lau

    2014-01-01

    Many household consumables contain volatile organic compounds (VOCs) as the active ingredient. Long term exposure to VOCs could cause various health problems, especially to the respiratory system. Graphene has attracted a lot of attention recently for its potential to be used as sensing material for VOCs. In this project we have constructed graphene/PVA composite based gas sensors for VOC detection. It was perceived that the poly-mer could introduce better selectivity to the sensor. Results suggest that the proposed sen-sor is highly sensitive to low molecular weight VOCs and that the manner in which the sensor respond to the vapour depends on the polarity or hydrophobicity of the vapour.

  17. Magneto-optics of modulation doped quantum wells based on II-VI semiconductor compounds

    Energy Technology Data Exchange (ETDEWEB)

    Astakhov, G.V.; Ossau, W. [Wuerzburg Univ. (DE). Physikalisches Inst. (EP3)

    2007-07-01

    We review on optical studies of exciton-electron interaction in modulation doped quantum wells (QWs) based on ZnSe and CdTe semiconductor compounds. The optical properties of QWs containing diluted two-dimensional electron gases (2DEGs) are well described in terms of charged excitons (trions). Their parameters such as oscillator strength, binding energy, and fine structure are considered in details. In case of moderate densities of 2DEGs, when the Fermi energy falls between the trion and exciton binding energies, the optical properties can be understood in terms of combined exciton-electron excitations. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Ethanol-Water Near-Azeotropic Mixture Dehydration by Compound Starch-Based Adsorbent

    Institute of Scientific and Technical Information of China (English)

    孙津生; 师明; 王文平

    2015-01-01

    Ethanol-water near-azeotropic mixture dehydration was investigated by formulated compound starch-based adsorbent(CSA), which consists of corn, sweet potato and foaming agent. The net retention time and separa-tion factor of water over ethanol were measured by inverse gas chromatography(IGC). Results indicated that water has a longer net retention time than ethanol and that low temperature is beneficial to this dehydration process. Or-thogonal test was conducted under different vapor feed flow rates, bed temperatures and bed heights, to obtain op-timal fixed-bed dehydration condition. Dynamic saturated adsorbance was also studied. It was found that CSA has the same water adsorption capacity(0.15 g/g)as some commercial molecular sieves. Besides, this biosorptive dehy-dration process was found to be the most energy-efficient compared with other ethanol purification processes.

  19. Polymer optical fiber compound parabolic concentrator tip for enhanced coupling efficiency for fluorescence based glucose sensors

    DEFF Research Database (Denmark)

    Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Søren;

    2015-01-01

    fiber length of a polymer optical fiber diabetes sensor for continuous monitoring of glucose levels. We experimentally verify the improved performance of the CPC tipped sensor and the predicted production tolerances. Due to physical size requirements when the sensor has to be inserted into the body a......We demonstrate that the light excitation and capturing efficiency of fluorescence based fiber-optical sensors can be significantly increased by using a CPC (Compound Parabolic Concentrator) tip instead of the standard plane-cut tip. We use Zemax modelling to find the optimum CPC tip profile and...... non-optimal fiber length of 35 mm is chosen. For this length an average improvement in efficiency of a factor of 1.7 is experimentally demonstrated and critically compared to the predicted ideal factor of 3 in terms of parameters that should be improved through production optimization....

  20. Fluorescent deep-blue and hybrid white emitting devices based on a naphthalene-benzofuran compound

    KAUST Repository

    Yang, Xiaohui

    2013-08-01

    We report the synthesis, photophysics and electrochemical properties of naphthalene-benzofuran compound 1 and its application in organic light emitting devices. Fluorescent deep-blue emitting devices employing 1 as the emitting dopant embedded in 4-4′-bis(9-carbazolyl)-2,2′-biphenyl (CBP) host show the peak external quantum efficiency of 4.5% and Commission Internationale d\\'Énclairage (CIE) coordinates of (0.15, 0.07). Hybrid white devices using fluorescent blue emitting layer with 1 and a phosphorescent orange emitting layer based on an iridium-complex show the peak external quantum efficiency above 10% and CIE coordinates of (0.31, 0.37). © 2013 Published by Elsevier B.V.