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Sample records for er-te-i ternary systems

  1. Metal biosorption equilibria in a ternary system

    SciTech Connect

    Chong, K.H.; Volesky, B.

    1996-03-20

    Equilibrium metal uptake performance of a biosorbent prepared from Ascophyllum nodosum seaweed biomass was studied using aqueous solutions containing copper, cadmium, and zinc ions in binary and ternary mixtures. Triangular equilibrium diagrams can graphically represent all the ternary equilibrium sorption data. Application of the multicomponent Langmuir model to describe the three-metal system revealed its nonideal characteristics, whereby the value of apparent dissociation constants for the respective metals differed for each system. This restricted the prediction of the ternary equilibria from the binary systems. However, some predictions of the ternary system behavior from the model were consistent with experimental data and with conclusions postulated from the three possible binary subsystems.

  2. Equal area rule methods for ternary systems

    SciTech Connect

    Shyu, G.S.; Hanif, N.S.M.; Alvarado, J.F.J.; Hall, K.R.; Eubank, P.T.

    1995-12-01

    The phase equilibrium behavior of fluid mixtures is an important design consideration for both chemical processes and oil production. Eubank and Hall have recently shown the equal area rule (EAR) applies to the composition derivative of the Gibbs energy of a binary system at fixed pressure and temperature regardless of derivative continuity. A sufficient condition for equilibria, EAR is faster and simpler than either the familiar tangent-line method or the area method of Eubank et al. Here, the authors show that EAR can be extended to ternary systems exhibiting one, two, or three phases at equilibrium. A single directional vector is searched in composition space; at equilibrium, this vector is the familiar tie line. A sensitive criterion for equilibrium under EAR is equality of orthogonal derivatives such as ({partial_derivative}g/{partial_derivative}x{sub 1}){sub x{sub 2}P,T} at the end points ({alpha} and {beta}), where g {equivalent_to} ({Delta}{sub m}G/RT). Repeated use of the binary algorithm published in the first reference allows rapid, simple solution of ternary problems, even with hand-held calculations for cases where the background model is simple (e.g., activity coefficient models) and the derivative continuous.

  3. Metrology of the thermodiffusion coefficients in a ternary system

    NASA Astrophysics Data System (ADS)

    Mounir, Bou-Ali Saidi M.; Platten, Jean Karl

    2005-11-01

    In a ternary mixture of dodecane, isobutylbenzene, and 1,2,3,4-tetrahydronaphtalene, we succeeded in measuring the two thermodiusion factors using the thermogravitational column technique, and applying the Furry-Jones-Onsager theory. We suggest correlating the thermodiusion factors in the ternary system with those in the three binaries.

  4. Mesoscale inhomogeneities in an aqueous ternary system

    NASA Astrophysics Data System (ADS)

    Subramanian, Deepa; Hayward, Stephen; Altabet, Elia; Collings, Peter; Anisimov, Mikhail

    2012-02-01

    Aqueous solutions of certain low-molecular-weight organic compounds, such as alcohols, amines, or ethers, which are considered macroscopically homogeneous, show the presence of mysterious mesoscale inhomogeneities, order of a hundred nm in size. We have performed static and dynamic light scattering experiments in an aqueous ternary system consisting of tertiary butyl alcohol and propylene oxide. Tertiary butyl alcohol is completely soluble in water and in propylene oxide, and forms strong hydrogen bonds with water molecules. Based on results of the study, we hypothesize that the mesoscale inhomogeneities are akin to a micro phase separation, resulting from a competition between water molecules and propylene oxide molecules, wanting to be adjacent to amphiphilic tertiary butyl alcohol molecules. Coupling between two competing order parameters, super-lattice binary-alloy-like (``antiferromagnetic'' type) and demixing (``ferromagnetic'' type) may explain the formation of these inhomogeneities. Long-term stability investigation of this supramolecular structure has revealed that these inhomogeneities are exceptionally long-lived non-equilibrium structures that persist for weeks or even months.

  5. Nucleation and interfacial adsorption in ternary systems.

    PubMed

    Philippe, T

    2015-03-01

    Nucleation is studied in incompressible ternary fluids by examining the topology of the overall landscape of the energy surface. Minimum free energy paths for nucleation (MFEPs) of a single nucleus in an infinite matrix are computed with the string method in the framework of the continuum theory of nucleation for the regular solution. Properties of the critical nucleus are compared with the predictions of the classical nucleation theory. MFEPs are found to exhibit complex nucleation pathways with non-monotonic variations of compositions in the interfacial region, specifically adsorption of a component. In the symmetric regular solution, the minority component is found to segregate at the interface during nucleation with a concomitant depletion of the nucleus core, resulting in unpredicted partition of the non-selective component. Despite increasing the gradient energy, such inhomogeneity in composition is shown to lower the nucleation barrier. PMID:25747088

  6. Phase coexistence and line tension in ternary lipid systems.

    PubMed

    Idema, T; van Leeuwen, J M J; Storm, C

    2009-10-01

    The ternary system consisting of cholesterol, a saturated lipid, and an unsaturated one exhibits a rich phase behavior with multiple phase coexistence regimes. Remarkably, phase separation even occurs when each of the three binary systems consisting of two of these components is a uniform mixture. We use a Flory-Huggins like model in which the phase separation of the ternary system is a consequence of an interaction between all three components to describe the system. From the associated Gibbs free energy we calculate phase diagrams, spinodals, and critical points. Moreover, we use a Van der Waals/Cahn-Hilliard like construction to derive an expression for the line tension between coexisting phases. We show how the line tension depends on the position in the phase diagram, and give an explicit expression for the concentration profile at the phase boundary. PMID:19905359

  7. Thermodynamic Description of the Ternary Sb-Sn-Zn System

    NASA Astrophysics Data System (ADS)

    Gierlotka, Wojciech

    2016-04-01

    The ternary Sb-Sn-Zn system is important for two reasons: the first one is that antimony-tin-zinc alloys are promising lead-free solders, the second one is, that zinc antimonides show thermoelectric properties. Based on available literature information, the Sb-Sn-Zn system was thermodynamically described using the Calphad approach. A good agreement between calculation and experimental information was found.

  8. Applications of ternary systems in specific cosmetic formulations.

    PubMed

    Comelles, F; Megias, V; Sánchez, J; Parra, J L; Coll, J; Balaguer, F; Pelejero, C

    1989-02-01

    Synopsis The study of ternary systems leads to the understanding of the physico-chemical aspect and allows the contribution of the different components to a cosmetic formulation to be developed. The present investigation was centred in the zone of transparent get belonging to a previously studied ternary system containing a broad variety of different structural compositions. The possibility of including an active sunscreen as well as the ability to increase the water content of the gel was studied. The microscopical study of the compositions with polarized light allowed us to assign the corresponding different structures. A correlation between these structures and their physico-chemical properties, with special emphasis to rheology, has been established.

  9. A Ternary Phase Diagram for a Less Hazardous System

    NASA Astrophysics Data System (ADS)

    Udale, Barbara A.; Wells, John D.

    1995-12-01

    The ternary phase diagram for the partially miscible liquid system n-propanol-n-heptane-water can be determined readily in an undergraduate laboratory experiment. The coexistence curve is obtained from titration results. Tie lines are then estimated from the compositions of pairs of phases in equilibrium, the propanol concentrations being determined by gas chromatography. The reagents are less hazardous than those of the classic acetic acid-chloroform-water system, and the gas chromatographic analysis has more interest for students than the acid-base titrations of the older experiment.

  10. Improved direct and indirect systems of columns for ternary distillation

    SciTech Connect

    Agrawal, R.; Fidkowski, Z.T.

    1998-04-01

    Separation of a ternary mixture into almost pure components is discussed. Systems of distillation columns, with higher thermodynamic efficiency, are developed from a direct sequence (or indirect sequence) of distillation columns by allowing for two interconnecting streams of the same composition and different enthalpy. This increases the reversibility of distillation in the second column, which results in replacing a portion of the high-temperature boiling duty with a lower-temperature heat in the direct split case. For the indirect split case, the improvement allows a portion of the low-temperature condensing duty to be replaced with a higher-temperature condensation.

  11. Phase relations in the U-Mo-Al ternary system

    NASA Astrophysics Data System (ADS)

    Noël, H.; Tougait, O.; Dubois, S.

    2009-06-01

    The phase relations in the U-Mo-Al system of quenched samples annealed at 800 °C for 2 weeks and at 400 °C for 2 months have been established using X-ray powder diffraction, scanning electron microscopy and energy dispersive spectroscopic analysis performed at room temperature. Two ternary Al-rich phases, UMo 2-xAl 20+x and U 6Mo 4+xAl 43-x are found stable at 800 °C and 400 °C. They show significant homogeneity ranges resulting from Mo/Al substitution mechanism on various mixed crystallographic sites, as evidenced by single-crystal structure refinements. Substitution of up to 25 at.% of Al by Mo atoms is also observed for UAl 2 (cubic MgCu 2-type) giving a quite large extension (UAl 2-xMo x, 0 < x < 0.5) into the ternary system. Larger substitution (0.6 < x < 0.7 at T = 800 °C) stabilizes another ternary Laves phase, UAl 2-xMo x with the hexagonal MgZn 2-type. There is no detectable solubility of Mo in UAl 4, and it is of the order of 1 at.% in UAl 3. The interaction layers between the γU-Mo alloys and the Al matrix in nuclear fuel plates can be successively estimated as composed of the two- and three-phase fields equilibrium indicated on the assessment of the phase relations drawn for samples heat-treated at 400 °C.

  12. Solving integral equations for binary and ternary systems

    NASA Astrophysics Data System (ADS)

    Nader Lotfollahi, Mohammad; Modarress, Hamid

    2002-02-01

    Solving integral equations is an effective approach to obtain the radial distribution function (RDF) of multicomponent mixtures. In this work, by extending Gillan's approach [M. J. Gillan, Mol. Phys. 38(6), 1781 (1979)], the integral equation was solved by numerical method and was applied to both binary and ternary mixtures. The Lennard-Jones (LJ) potential function was used to express the pair molecular interactions in calculating the RDF and chemical potential. This allowed a comparison with available simulation data, on the RDF and the chemical potential, since the simulation data have been reported for the LJ potential function. The RDF and the chemical potential results indicated good agreement with the simulation data. The calculations were extended to the ternary system and the RDFs for carbon dioxide-octane-naphthalene were obtained. The numerical method used in solving integral equation was rapidly convergent and not sensitive to the first estimation. The method proposed in this work can be easily extended to more than the three-component systems.

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

    NASA Astrophysics Data System (ADS)

    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.

  14. Using a Ternary Diagram to Display a System's Evolving Energy Distribution

    ERIC Educational Resources Information Center

    Brazzle, Bob; Tapp, Anne

    2016-01-01

    A ternary diagram is a graphical representation used for systems with three components. They are familiar to mineralogists (who typically use them to categorize varieties of solid solution minerals such as feldspar) but are not yet widely used in the physics community. Last year the lead author began using ternary diagrams in his introductory…

  15. Normal freezing of ideal ternary systems of the pseudobinary type

    NASA Technical Reports Server (NTRS)

    Li, C. H.

    1972-01-01

    Perfect liquid mixing but no solid diffusion is assumed in normal freezing. In addition, the molar compositions of the freezing solid and remaining liquid, respectively, follow the solidus and liquidus curves of the constitutional diagram. For the linear case, in which both the liquidus and solidus are perfectly straight lines, the normal freezing equation giving the fraction solidified at each melt temperature and the solute concentration profile in the frozen solid was determined as early as 1902, and has since been repeatedly published. Corresponding equations for quadratic, cubic or higher-degree liquidus and solidus lines have also been obtained. The equation of normal freezing for ideal ternary liquid solutions solidified into ideal solid solutions of the pseudobinary type is given. Sample computations with the use of this new equation were made and are given for the Ga-Al-As system.

  16. Balancing Accuracy and Computational Efficiency for Ternary Gas Hydrate Systems

    NASA Astrophysics Data System (ADS)

    White, M. D.

    2011-12-01

    Geologic accumulations of natural gas hydrates hold vast organic carbon reserves, which have the potential of meeting global energy needs for decades. Estimates of vast amounts of global natural gas hydrate deposits make them an attractive unconventional energy resource. As with other unconventional energy resources, the challenge is to economically produce the natural gas fuel. The gas hydrate challenge is principally technical. Meeting that challenge will require innovation, but more importantly, scientific research to understand the resource and its characteristics in porous media. Producing natural gas from gas hydrate deposits requires releasing CH4 from solid gas hydrate. The conventional way to release CH4 is to dissociate the hydrate by changing the pressure and temperature conditions to those where the hydrate is unstable. The guest-molecule exchange technology releases CH4 by replacing it with a more thermodynamically stable molecule (e.g., CO2, N2). This technology has three advantageous: 1) it sequesters greenhouse gas, 2) it releases energy via an exothermic reaction, and 3) it retains the hydraulic and mechanical stability of the hydrate reservoir. Numerical simulation of the production of gas hydrates from geologic deposits requires accounting for coupled processes: multifluid flow, mobile and immobile phase appearances and disappearances, heat transfer, and multicomponent thermodynamics. The ternary gas hydrate system comprises five components (i.e., H2O, CH4, CO2, N2, and salt) and the potential for six phases (i.e., aqueous, liquid CO2, gas, hydrate, ice, and precipitated salt). The equation of state for ternary hydrate systems has three requirements: 1) phase occurrence, 2) phase composition, and 3) phase properties. Numerical simulation of the production of geologic accumulations of gas hydrates have historically suffered from relatively slow execution times, compared with other multifluid, porous media systems, due to strong nonlinearities and

  17. Surface tension isotherms of the dioxane-acetone-water and glycerol-ethanol-water ternary systems

    NASA Astrophysics Data System (ADS)

    Dzhambulatov, R. S.; Dadashev, R. Kh.; Elimkhanov, D. Z.; Dadashev, I. N.

    2016-10-01

    The results of the experimental and theoretical studies of the concentration dependence of surface tension of aqueous solutions of the 1,4-dioxane-acetone-water and glycerol-ethanol-water ternary systems were given. The studies were performed by the hanging-drop method on a DSA100 tensiometer. The maximum error of surface tension was 1%. The theoretical models for calculating the surface tension of the ternary systems of organic solutions were analyzed.

  18. Ternary Phases (Heusler) in the System Ti-Co-Sn

    NASA Astrophysics Data System (ADS)

    Kosinskiy, Andrey; Karlsen, Ole Bjørn; Sørby, Magnus H.; Prytz, Øystein

    2016-09-01

    Some of the Heusler-phases (XY 2 Z and XYZ) are known to have large homogeneity ranges which can be useful for tuning material properties. In this work, we have revised the isothermal section of the Ti-Co-Sn system at 973 K (700 °C). A total of 29 ternary compositions, mostly in the regions TiCo2-x Sn for 0 ≤ x ≤ 1 and Ti1+y Co2Sn1-y for 0 ≤ y ≤ 1, were prepared by arc-melting, then ball-milled and annealed. The resulting annealed powder samples were studied by applying the Rietveld method to X-ray and neutron powder diffraction data. Half-Heusler TiCoSn was not observed. The Heusler phase observed in TiCo2-x Sn has compositions ranging from TiCo1.52Sn to TiCo2Sn and has the half-Heusler structure where the excess of Co is located on the semi-filled tetrahedral site 4d (¾, ¾, ¾) in the space group F-43m. At 1273 K (1000 °C), this solid solubility is expanded from TiCo2Sn to TiCo with full solid solubility where Ti is gradually replacing Sn (Ti1+y Co2Sn1-y for 0 ≤ y ≤ 1), while at 973 K (700 °C) there is a small solubility gap for 0.0 ≤ y ≤ 0.2.

  19. Phase behavior of ternary mannosylerythritol lipid/water/oil systems.

    PubMed

    Worakitkanchanakul, Wannasiri; Imura, Tomohiro; Fukuoka, Tokuma; Morita, Tomotake; Sakai, Hideki; Abe, Masahiko; Rujiravanit, Ratana; Chavadej, Sumaeth; Minamikawa, Hiroyuki; Kitamoto, Dai

    2009-02-01

    Mannosylerythritol lipids (MELs) are glycolipid biosurfactants (BS) abundantly produced from renewable resources by yeast strains of the genus Pseudozyma. In this study, the ternary phase behaviors of two types of MELs, i.e. MEL-A and MEL-B, mixed with water and oil were investigated at 25 degrees C based on polarized optical microscopy and small-angle X-ray scattering (SAXS). When n-decane was used as an oil phase, diacetylated MEL-A formed single-phase water-in-oil (W/O) microemulsion in a remarkably large region. MEL-A, with a negative spontaneous curvature, also formed sponge (L(3)), reverse bicontinuous cubic (V(2)), and lamellar (L(alpha)) phases. Meanwhile, monoacetylated MEL-B, with the opposite configuration of the erythritol moiety, gave single-phase bicontinuous microemulsion and showed a triangular phase diagram dominated by the L(alpha) phase, suggesting that MEL-B has an almost zero spontaneous curvature. Moreover, we succeeded in preparation of oil-in-liquid crystal (O/LC) emulsion in the biphasic L(alpha)+O region of the MEL-B/water/n-decane system. The obtained gel-like emulsion was stable for at least 1 month. These results clearly demonstrated that the difference in the number of acetyl group on the headgroup and/or the chirality of the erythritol moiety drastically changed the phase behavior of MELs. Accordingly, these MELs would be quite distinctive from conventional BS hitherto reported, and would have great potential for the preparation of microemulsion and LC-based emulsion. PMID:19070997

  20. Solid dispersion of pharmaceutical ternary systems I: Phase diagram of aspirin-acetaminophen-urea system.

    PubMed

    el-Banna, H M

    1978-08-01

    The phase diagram of an aspirin-acetaminophen-urea system was constructed. The data obtained by the thermomicroscopic method showed that the binary systems of aspirin-acetaminophen, aspirin-urea, and acetaminophen-urea are simple eutectic mixtures with negligible formation of solid solutions or molecular compounds. The equilateral triangular phase diagram of the ternary system revealed that it forms, upon solidification, solid dispersions of the mechanical mixture type. The ternary eutectic corresponded to a composition of 60% aspirin, 20% acetaminophen, and 20% urea at 72 degrees. The method of calculating the composition finally solidified melts, lying within any area of the phase diagram, is presented. Use of the phase diagram in selecting the optimum ratio of components to enhance dissolution rates of these drugs may be possible. PMID:671247

  1. Using a Ternary Diagram to Display a System's Evolving Energy Distribution

    NASA Astrophysics Data System (ADS)

    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.

  2. Liquidus Projections of Bi-Se-Ga and Bi-Se-Te Ternary Systems

    NASA Astrophysics Data System (ADS)

    Lin, Po-han; Chen, Sinn-wen; Hwang, Jenn-dong; Chu, Hsu-shen

    2016-06-01

    This study determines the liquidus projections of both Bi-Se-Ga and Bi-Se-Te ternary systems which are constituent ternary systems of promising Bi-Se-Te-Ga thermoelectric materials. Ternary Bi-Se-Ga and Bi-Se-Te alloys are prepared. Their primary solidification phases are experimentally determined, and thermal analysis experiments are carried out. The liquidus projections are determined based on the ternary experimental results and phase diagrams of constituent binary systems. The Bi-Se-Ga system includes seven primary solidification phases, Bi, Ga, GaSe, Ga2Se3, Se, Bi2Se3, and (Bi2)n(Bi2Se3)m. In the Bi-Se-Te system, there are five primary solidification phases, Bi, (Bi2)n(Bi2Te3)m, Bi2(Se,Te)3, (Se,Te), and (Bi2)n(Bi2Se3)m. Both the (Bi2)n(Bi2Te3)m and (Bi2)n(Bi2Se3)m phases are not a single phase, but a collection of series undetermined phases. Large miscibility gaps are observed in the Bi-Se-Ga system. The temperatures of the invariant reactions, Liquid + Bi + GaSe = Ga and Liquid + Ga2Se3 = Bi + GaSe, are at 495 K (222 °C) and 533 K (260 °C), respectively.

  3. Phase Equilibria of the Fe-Ni-Sn Ternary System at 270°C

    NASA Astrophysics Data System (ADS)

    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.

  4. Characterization of Ternary Protein Systems In Vivo with Tricolor Heterospecies Partition Analysis.

    PubMed

    Hur, Kwang-Ho; Chen, Yan; Mueller, Joachim D

    2016-03-01

    Tools and assays that characterize protein-protein interactions are of fundamental importance to biology, because protein assemblies play a critical role in the control and regulation of nearly every cellular process. The availability of fluorescent proteins has facilitated the direct and real-time observation of protein-protein interactions inside living cells, but existing methods are mostly limited to binary interactions between two proteins. Because of the scarcity of techniques capable of identifying ternary interactions, we developed tricolor heterospecies partition analysis. The technique is based on brightness analysis of fluorescence fluctuations from three fluorescent proteins that serve as protein labels. We identified three fluorescent proteins suitable for tricolor brightness experiments. In addition, we developed the theory of identifying interactions in a ternary protein system using tricolor heterospecies partition analysis. The theory was verified by experiments on well-characterized protein systems. A graphical representation of the heterospecies partition data was introduced to visualize interactions in ternary protein systems. Lastly, we performed fluorescence fluctuation experiments on cells expressing a coactivator and two nuclear receptors and applied heterospecies partition analysis to explore the interactions of this ternary protein system.

  5. A model ternary heparin conjugate by direct covalent bond strategy applied to drug delivery system.

    PubMed

    Wang, Ying; Xin, Dingcheng; Hu, Jiawen; Liu, Kaijian; Pan, Jiangao; Xiang, Jiannan

    2009-01-01

    A model ternary heparin conjugate by direct covalent bond strategy has been developed, in which modified heparin using active mix anhydride as intermediate conjugates with model drug molecule and model specific ligand, respectively. Designed ester bonds between model drug and heparin facilitate hydrolysis kinetics research. The strategy can be extended to design and synthesize a targeted drug delivery system. The key point is to use mixed anhydride groups as activating intermediates to mediate the synthesis of the ternary heparin conjugate. Formation of mixed anhydride is detected by the conductimetry experiment. The ternary heparin conjugate is characterized by (13)C NMR, FT-IR and GPC, respectively. The decreased trend on degree of substitution (DS) is consistent with that of introduced anticancer drug and specific ligand in drug delivery system. Moreover, their anticoagulant activity is evaluated by measuring activated partial thromboplastin time (APTT) and anti-factor Xa activity. The results show that model ternary heparin conjugate with reduced anticoagulant activity may avoid the risk of severe hemorrhagic complication during the administration and is potential to develop a safe and effective drug delivery system on anticancer research.

  6. Phase equilibria, formation, crystal and electronic structure of ternary compounds in Ti-Ni-Sn and Ti-Ni-Sb ternary systems

    SciTech Connect

    Romaka, V.V.; Rogl, P.; Romaka, L.; Stadnyk, Yu.; Melnychenko, N.; Grytsiv, A.; Falmbigl, M.; Skryabina, N.

    2013-01-15

    The phase equilibria of the Ti-Ni-Sn and Ti-Ni-Sb ternary systems have been studied in the whole concentration range by means of X-ray and EPM analyses at 1073 K and 873 K, respectively. Four ternary intermetallic compounds TiNiSn (MgAgAs-type), TiNi{sub 2-x}Sn (MnCu{sub 2}Al-type), Ti{sub 2}Ni{sub 2}Sn (U{sub 2}Pt{sub 2}Sn-type), and Ti{sub 5}NiSn{sub 3} (Hf{sub 5}CuSn{sub 3}-type) are formed in Ti-Ni-Sn system at 1073 K. The TiNi{sub 2}Sn stannide is characterized by homogeneity in the range of 50-47 at% of Ni. The Ti-Ni-Sb ternary system at 873 K is characterized by formation of three ternary intermetallic compounds, Ti{sub 0.8}NiSb (MgAgAs-type), Ti{sub 5}Ni{sub 0.45}Sb{sub 2.55} (W{sub 5}Si{sub 3}-type), and Ti{sub 5}NiSb{sub 3} (Hf{sub 5}CuSn{sub 3}-type). The solubility of Ni in Ti{sub 0.8}NiSb decreases number of vacancies in Ti site up to Ti{sub 0.91}Ni{sub 1.1}Sb composition. - Graphical abstract: Isothermal section of the Ti-Ni-Sn phase diagram and DOS distribution in hypothetical TiNi{sub 1+x}Sn solid solution. Highlights: Black-Right-Pointing-Pointer Ti-Ni-Sn phase diagram was constructed at 1073 K. Black-Right-Pointing-Pointer Four ternary compounds are formed: TiNiSn, TiNi{sub 2-x}Sn, Ti{sub 2}Ni{sub 2}Sn, and Ti{sub 5}NiSn{sub 3}. Black-Right-Pointing-Pointer Three ternary compounds exist in Ti-Ni-Sb system at 873 K. Black-Right-Pointing-Pointer The TiNi{sub 2}Sb compound is absent.

  7. Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - I. A ternary Bragg-Williams ordering model

    USGS Publications Warehouse

    McSwiggen, P.L.

    1993-01-01

    The minerals of the ternary carbonate system CaCO3 - MgCO3 - FeCO3 represent a complex series of solid solutions and ordering states. An understanding of those complexities requires a solution model that can both duplicate the subsolidus phase relationships and generate correct values for the activities. Such a solution model must account for the changes in the total energy of the system resulting from a change in the ordering state of the individual constituents. Various ordering models have been applied to binary carbonate systems, but no attempts have previously been made to model the ordering in the ternary system. This study derives a new set of equations that allow for the equilibrium degree of order to be calculated for a system involving three cations mixing on two sites, as in the case of the ternary carbonates. The method is based on the Bragg-Williams approach. From the degree of order, the mole fractions of the three cations in each of the two sites can be determined. Once the site occupancies have been established, a Margules-type mixing model can be used to determine the free energy of mixing in the solid solution and therefore the activities of the various components. ?? 1993 Springer-Verlag.

  8. The isothermal section of the Zrsbnd Crsbnd Cu ternary system at 580 °C

    NASA Astrophysics Data System (ADS)

    Tang, Junkai; Liu, Yuqin; Shen, Jianyun

    2016-10-01

    The 580 °C isothermal section of the Zrsbnd Crsbnd Cu ternary system was determined by means of X-ray diffraction, scanning electron microscopy and electron probe microanalysis. This isothermal section contained 10 single-phase regions, 18 two-phase regions and 9 three-phase regions. No ternary compound was found at 580 °C in the system. The solubility of Cu in the ZrCr2 cubic Laves C15 phase and the solubility of Cr and Cu in the terminal α-Zr solid solution phase were determined. The site occupation of element Cu in the ZrCr2 cubic Laves C15 phase was determined by Rietveld refinement. The Cu prefers to occupy the position of Cr. The CuZr phase, which is not stable at 580 °C in the binary Cusbnd Zr system, was confirmed to exist at this temperature in the Zrsbnd Crsbnd Cu ternary system. This is probably due to that the dissolving of Cr in the CuZr phase increases its thermodynamic stability.

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

    SciTech Connect

    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.

  10. Composition dependences of thermodynamical properties associated with Pb-free ternary, quaternary, and quinary solder systems

    NASA Astrophysics Data System (ADS)

    Dogan, A.; Arslan, H.

    2016-05-01

    In the present study, Chou's General Solution Model (GSM) has been used to predict the enthalpy and partial enthalpies of mixing of the liquid Ag-In-Sn ternary, Ag-In-Sn-Zn quaternary, and Ag-Au-In-Sn-Zn quinary systems. These are of technical importance to optimize lead-free solder alloys, in selected cross-sections: x In/ x Sn = 0.5/0.5 (ternary), Au-In0.1-Sn0.8-Zn0.1, Ag-In0.1-Sn0.8-Zn0.1 (quaternary), and t = x Au/ x In = 1, x In = x Sn = x Zn (quinary) at 1173, 773, and 773 K, respectively. Moreover, the activity of In content in the ternary alloy system Ag-In-Sn has been calculated and its result is compared with that determined from the experiment, while the activities of Ag contents associated with the alloys mentioned above have been calculated. The other traditional models such as of Colinet, Kohler, Muggianu, Toop, and Hillert are also included in calculations. Comparing those calculated from the proposed GSM with those determined from experimental measurements, it is seen that this model becomes considerably realistic in computerization for estimating thermodynamic properties in multicomponent systems.

  11. Vapor liquid equilibria on the ternary lithium fluoride-sodium fluoride-beryllium fluoride system

    NASA Astrophysics Data System (ADS)

    Fukuda, Grant Takeshi

    Molten mixtures of LiF, NaF, and BeF2 (FLiNaBe) have been proposed as a liquid first wall for selected fusion reactor designs. Because currently envisaged reactor technologies for igniting and/or sustaining a, fusion reaction require vacuum conditions, the volatility of these liquids is an issue for concern. Many physical properties of the ternary LiF-NaF-BeF 2 (FLiNaBe) system have already been studied as part of the molten salt reactor program, but the vapor pressure has not been measured. A study of the vapor liquid equilibrium of FLiNaBe by Thermogravimetric Analysis (TGA) and Knudsen Cell Mass Spectrometry (KCMS) is presented. The ternary system is treated as a pseudo-binary system by fixing the ratio of LiF:NaF and varying the amount of BeF2. Measurements have been performed over a composition range of 0.3--0.8 mole fraction BeF2 and from 875--975K. Experimental data, are correlated in terms of the BeF 2 activity coefficient. Measurements were also carried out on the binary systems LiF-BeF2 and NaF-BeF2. Measured values of the BeF2 activity coefficient in the binary LiF-BeF2 and NaF-BeF2 systems compare satisfactorily with previous results published in the research literature. The vapor phase of FLiNaBe was found to consist of primarily the species BeF2, LiBeF3, and NaBeF 3 over the temperature and composition range studied. Mixtures of BeF2-containing fluoride salts are highly non-ideal; the BeF2 activity coefficient exhibits both positive and negative deviations from ideality over the composition range studied. An associated solution model with 3 adjustable parameters is used to fit the BeF2 activity coefficient data of the LiF-BeF2 and NaF-BeF2 systems. The parameters obtained from fitting binary data are then used to fit the ternary system. The extension of the model to the ternary system results in a single additional parameter that can only be determined from fitting ternary data. Overall the agreement between the model and experimental data is within

  12. A practical numerical scheme for the ternary Cahn-Hilliard system with a logarithmic free energy

    NASA Astrophysics Data System (ADS)

    Jeong, Darae; Kim, Junseok

    2016-01-01

    We consider a practically stable finite difference method for the ternary Cahn-Hilliard system with a logarithmic free energy modeling the phase separation of a three-component mixture. The numerical scheme is based on a linear unconditionally gradient stable scheme by Eyre and is solved by an efficient and accurate multigrid method. The logarithmic function has a singularity at zero. To remove the singularity, we regularize the function near zero by using a quadratic polynomial approximation. We perform a convergence test, a linear stability analysis, and a robustness test of the ternary Cahn-Hilliard equation. We observe that our numerical solutions are convergent, consistent with the exact solutions of linear stability analysis, and stable with practically large enough time steps. Using the proposed numerical scheme, we also study the temporal evolution of morphology patterns during phase separation in one-, two-, and three-dimensional spaces.

  13. Phase diagram of the Al-Er-Mo ternary system at 873 K

    NASA Astrophysics Data System (ADS)

    Pan, Yanfang; Yang, Wenchao; Tang, Chenghuang; Lan, Yanni; Zhan, Yong Zhong

    2015-11-01

    The phase relationship in the Al-Er-Mo ternary system at 873 K has been investigated based on the equilibrated method mainly by means of X-ray powder diffraction and scanning electron microscopy. The existence of 10 binary compounds and two ternary compounds has been confirmed. The results present that the isothermal section at 873 K is governed by 15 single-phase regions, 29 two-phase regions and 15 three-phase regions. By using the phase-disappearing method, Al8Mo3 has a narrow homogeneity range (from 72 to 73 at% Al), while the homogeneity range of AlMo3 is from 21% to 28.5% at% Al. Also, the maximum solubility of Al in Mo is about 16 at%.

  14. Phase Equilibria of Ternary and Quaternary Systems Containing Diethyl Carbonate with Water.

    PubMed

    Chen, Yao; Wen, Caiyu; Zhou, Xiaoming; Zeng, Jun

    2014-01-01

    In this study liquid phase equilibrium compositions were measured at 298.15 K under atmospheric pressure for (water + propan-1-ol + diethyl carbonate (DEC) + benzene or cyclohexane or heptane) quaternary systems and (water + DEC + propan-1-ol or benzene or cyclohexane) ternary systems. Good correlation of the experimental LLE data was seen for the measured systems by both modified and extended UNIQUAC models. The solubility of DEC in aqueous and organic phases is shown by equilibrium distribution coefficients calculated from the LLE data.

  15. Phase competition in ternary Ti-Ni-Al system

    NASA Astrophysics Data System (ADS)

    Wierzba, Bartek

    2016-07-01

    In this paper the reactive diffusion in Ti-Ni-Al system is discussed at 1173 K. The calculation method based on the binary approach is presented. The key kinetic parameter is Wagner integral diffusion coefficient. The experimental and simulation results of reactive diffusion between pure Ti and β-NiAl are compared at 1173 K after 100 h.

  16. Predicting magnetostructural trends in FeRh-based ternary systems

    NASA Astrophysics Data System (ADS)

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

    2013-09-01

    Correlations between magnetic transition temperatures and the average weighted valence band electron concentration ((s + d) electrons/atom) have led to the development of a phenomenological model that predicts the influence of elemental substitution on the magnetostructural response of bulk B2-ordered Fe(Rh1-xMx) or (Fe1-xMx)Rh alloys (M = transition elements; x < 6 at. %). Validation of this model is provided through synthesis and characterization of FeRh with Cu and Au additions. The data and associated trends indicate that the lattice and electronic free energies are both equally important in driving the magnetostructural transition in the bulk FeRh system.

  17. Ternary particles for effective vaccine delivery to the pulmonary system

    NASA Astrophysics Data System (ADS)

    Terry, Treniece La'shay

    Progress in the fields of molecular biology and genomics has provided great insight into the pathogenesis of disease and the defense mechanisms of the immune system. This knowledge has lead to the classification of an array of abnormal genes, for which, treatment relies on cellular expression of proteins. The utility of DNA-based vaccines hold great promise for the treatment of genetically based and infectious diseases, which ranges from hemophilia, cystic fibrosis, and HIV. Synthetic delivery systems consisting of cationic polymers, such as polyethylenimine (PEI), are capable of condensing DNA into compact structures, maximizing cellular uptake of DNA and yielding high levels of protein expression. To date, short term expression is a major obstacle in the development of gene therapies and has halted their expansion in clinical applications. This study intends to develop a sustained release vaccine delivery system using PLA-PEG block copolymers encapsulating PEI:DNA polyplexes. To enhance the effectiveness of such DNA-based vaccines, resident antigen presenting cells, macrophages and dendritic cells, will be targeted within the alveoli regions of the lungs. Porous microspheres will be engineered with aerodynamic properties capable of achieving deep lung deposition. A fabrication technique using concentric nozzles will be developed to produce porous microspheres. It was observed that modifications in the dispersed to continuous phase ratios have the largest influence on particle size distributions, release rates and encapsulation efficiency which ranged form 80--95% with fourteen days of release. Amphiphilic block copolymers were also used to fabricate porous microspheres. The confirmation of PEG within the biodegradable polymer backbone was found to have a tremendous impact on the microsphere morphology and encapsulation efficiency which varied from 50--90%. Porous microspheres were capable of providing sustained gene expression when tested in vitro using the

  18. Bergman Clusters, Multiple Bonds, and Defect Planes: Synthetic Outcomes of Chemical Frustration in Ternary Intermetallic Systems

    NASA Astrophysics Data System (ADS)

    Hadler, Amelia Beth

    Intermetallics crystallize in a variety of complex structures, many of which show unusual bonding or intriguing properties. Understanding what factors drive this structural chemistry would be a valuable step towards designing new intermetallics with specific structures or properties. One pathway towards understanding and predicting the structures of complex intermetallics is chemical frustration, a design tool which harnesses competition between incompatible bonding or packing modes to induce complexity in ternary intermetallic systems. The research outlined in this thesis focuses on developing chemical frustration through exploratory synthesis in ternary systems designed to induce frustration between the tetrahedral close packing of many intermetallics and the simple cubic packing seen for ionic salts or elemental metals. Syntheses in three systems yielded six new ternary intermetallics, four of which crystallize in novel structure types. Three were discovered in the Ca-Cu-Cd system: Ca5Cu2Cd and Ca2Cu 2Cd9, which adopt ternary variants of binary structures, and Ca10Cu2Cd27, which crystallizes in a new structure built from Bergman clusters. All three structures can be traced to electronic packing frustration induced by the similar electronegativities but different metallic radii of Cu and Cd. The Gd-Fe-C system yielded the new carbometalate Gd13Fe 10C13 and an oxycarbide derivative. These phases crystallize in structures built from Gd tricapped trigonal prisms interpenetrated by an Fe-C network. Theoretical analyses reveal that Fe-Fe and Fe-C multiple bonding is found throughout this network. A theoretical investigation of similar carbides uncovers additional metal-metal, metal-carbon, and carbon-carbon multiple bonding. This unusual bonding stabilizes the carbides by satisfying preferred electron counts for their transition metal sites. One new phase, Mg4.5Pd5Ge1.5, was found in the Mg-Pd-Ge system. Its structure is closely related to the CsCl-type structure of

  19. Synthesis and crystal structure investigations of ternary oxides in the Na-Pu-O system

    NASA Astrophysics Data System (ADS)

    Bykov, D. M.; Raison, P. E.; Konings, R. J. M.; Apostolidis, C.; Orlova, M.

    2015-02-01

    Ternary oxides of sodium and plutonium in oxidation states from +4 to +7 have been synthesized by solid state reactions at elevated temperatures in pure argon or oxygen atmospheres. Crystal structures of the obtained phases have been investigated by the Rietveld method using conventional X-ray powder diffraction technique. The structural analogs were found among the families of complex oxides of alkali elements and cerium, ruthenium, antimony, uranium/neptunium and osmium. The new results were compared to earlier literature data for the Na-Pu-O system.

  20. New real ternary and pseudoternary phases in the Li-Au-In system

    SciTech Connect

    Dmytriv, G.S.; Pavlyuk, V.V.; Pauly, H.; Eckert, J.; Ehrenberg, H.

    2011-05-15

    Two real ternary lithium gold indides LiAu{sub 2}In and Li{sub 280}Au{sub 22}In{sub 130} (Li{sub 0.65}Au{sub 0.05}In{sub 0.30}) were found in the Li-Au-In system. They are isostructural to the respective Ag-alloys. LiAu{sub 2}In crystallizes in the MnCu{sub 2}Al-type structure (Fm-3m, Heusler phase, a=6.4982(8) A, based on single crystal XRD-data) and Li{sub 280}Au{sub 22}In{sub 130} in the Li{sub 278}Ag{sub 40}In{sub 114}-type structure (F-43m, a=19.9970(2) A, based on powder XRD-data). The analogy of the two ternary systems Li-Au-In and Li-Ag-In is additionally reaffirmed by the wide homogeneity range of the pseudoternary solid solution with NaTl-type structure (Zintl phase),which expands not only in the direction of the quasibinary cut Li(Au{sub x}In{sub 1-x}) with 0{<=}x{<=}0.5, but also into the directions of both higher and lower Li-concentrations. -- Graphical abstract: Two real ternary compounds (1: Heusler phase, 2: n=6 variant of a cubic nxnxn W-type superstructure) together with one pseudoternary compound (3: Zintl phase with its broad homogeneity range). Display Omitted Highlights: {yields} 'Real' ternary phases were found in the Li-Au-In systems: LiAu{sub 2}In and Li{sub 280}Au{sub 22}In{sub 130}. {yields} The homogeneity range of 'pseudoternary' Li(Au{sub x}In{sub 1-x}) extends to the binary phase x=0. {yields} The three-element sets, both Li, Au, In and Li, Ag, In, are compound formers*. (*in the definition of Villars et al., J. Alloys Compd. 317-318, 2001, 26).

  1. Modification of both d33 and TC in a potassium-sodium niobate ternary system.

    PubMed

    Wu, Bo; Wu, Jiagang; Xiao, Dingquan; Zhu, Jianguo

    2015-12-28

    In this work, we simultaneously achieved a giant d33 and a high TC in a lead-free piezoelectric ternary system of (1-x-y)K0.48Na0.52NbO3-xBiFeO3-yBi0.5Na0.5ZrO3 {(1-x-y)KNN-xBF-yBNZ}. Owing to the rhombohedral-orthorhombic-tetragonal (R-O-T) phase coexistence and the enhanced dielectric and ferroelectric properties, the ceramics with a composition of (x = 0.006, y = 0.04) show a giant d33 of ∼428 pC N(-1) together with a TC of ∼318 °C, thereby proving that the design of ternary systems is an effective way to achieve both high d33 and high TC in KNN-based materials. In addition, a good thermal stability for piezoelectricity was also observed in these ceramics (e.g., d33 > 390 pC N(-1), T ≤ 300 °C). This is the first time such a good comprehensive performance in potassium-sodium niobate materials has been obtained. As a result, we believe that this type of material system with both giant d33 and high TC is a promising candidate for high-temperature piezoelectric devices.

  2. Controlling the physics and chemistry of binary and ternary praseodymium and cerium oxide systems.

    PubMed

    Niu, Gang; Zoellner, Marvin Hartwig; Schroeder, Thomas; Schaefer, Andreas; Jhang, Jin-Hao; Zielasek, Volkmar; Bäumer, Marcus; Wilkens, Henrik; Wollschläger, Joachim; Olbrich, Reinhard; Lammers, Christian; Reichling, Michael

    2015-10-14

    Rare earth praseodymium and cerium oxides have attracted intense research interest in the last few decades, due to their intriguing chemical and physical characteristics. An understanding of the correlation between structure and properties, in particular the surface chemistry, is urgently required for their application in microelectronics, catalysis, optics and other fields. Such an understanding is, however, hampered by the complexity of rare earth oxide materials and experimental methods for their characterisation. Here, we report recent progress in studying high-quality, single crystalline, praseodymium and cerium oxide films as well as ternary alloys grown on Si(111) substrates. Using these well-defined systems and based on a systematic multi-technique surface science approach, the corresponding physical and chemical properties, such as the surface structure, the surface morphology, the bulk-surface interaction and the oxygen storage/release capability, are explored in detail. We show that specifically the crystalline structure and the oxygen stoichiometry of the oxide thin films can be well controlled by the film preparation method. This work leads to a comprehensive understanding of the properties of rare earth oxides and highlights the applications of these versatile materials. Furthermore, methanol adsorption studies are performed on binary and ternary rare earth oxide thin films, demonstrating the feasibility of employing such systems for model catalytic studies. Specifically for ceria systems, we find considerable stability against normal environmental conditions so that they can be considered as a "materials bridge" between surface science models and real catalysts.

  3. Controlling the physics and chemistry of binary and ternary praseodymium and cerium oxide systems.

    PubMed

    Niu, Gang; Zoellner, Marvin Hartwig; Schroeder, Thomas; Schaefer, Andreas; Jhang, Jin-Hao; Zielasek, Volkmar; Bäumer, Marcus; Wilkens, Henrik; Wollschläger, Joachim; Olbrich, Reinhard; Lammers, Christian; Reichling, Michael

    2015-10-14

    Rare earth praseodymium and cerium oxides have attracted intense research interest in the last few decades, due to their intriguing chemical and physical characteristics. An understanding of the correlation between structure and properties, in particular the surface chemistry, is urgently required for their application in microelectronics, catalysis, optics and other fields. Such an understanding is, however, hampered by the complexity of rare earth oxide materials and experimental methods for their characterisation. Here, we report recent progress in studying high-quality, single crystalline, praseodymium and cerium oxide films as well as ternary alloys grown on Si(111) substrates. Using these well-defined systems and based on a systematic multi-technique surface science approach, the corresponding physical and chemical properties, such as the surface structure, the surface morphology, the bulk-surface interaction and the oxygen storage/release capability, are explored in detail. We show that specifically the crystalline structure and the oxygen stoichiometry of the oxide thin films can be well controlled by the film preparation method. This work leads to a comprehensive understanding of the properties of rare earth oxides and highlights the applications of these versatile materials. Furthermore, methanol adsorption studies are performed on binary and ternary rare earth oxide thin films, demonstrating the feasibility of employing such systems for model catalytic studies. Specifically for ceria systems, we find considerable stability against normal environmental conditions so that they can be considered as a "materials bridge" between surface science models and real catalysts. PMID:26355535

  4. Modification of both d33 and TC in a potassium-sodium niobate ternary system.

    PubMed

    Wu, Bo; Wu, Jiagang; Xiao, Dingquan; Zhu, Jianguo

    2015-12-28

    In this work, we simultaneously achieved a giant d33 and a high TC in a lead-free piezoelectric ternary system of (1-x-y)K0.48Na0.52NbO3-xBiFeO3-yBi0.5Na0.5ZrO3 {(1-x-y)KNN-xBF-yBNZ}. Owing to the rhombohedral-orthorhombic-tetragonal (R-O-T) phase coexistence and the enhanced dielectric and ferroelectric properties, the ceramics with a composition of (x = 0.006, y = 0.04) show a giant d33 of ∼428 pC N(-1) together with a TC of ∼318 °C, thereby proving that the design of ternary systems is an effective way to achieve both high d33 and high TC in KNN-based materials. In addition, a good thermal stability for piezoelectricity was also observed in these ceramics (e.g., d33 > 390 pC N(-1), T ≤ 300 °C). This is the first time such a good comprehensive performance in potassium-sodium niobate materials has been obtained. As a result, we believe that this type of material system with both giant d33 and high TC is a promising candidate for high-temperature piezoelectric devices. PMID:26598931

  5. The ternary system K2SO4MgSO4CaSO4

    USGS Publications Warehouse

    Rowe, J.J.; Morey, G.W.; Silber, C.C.

    1967-01-01

    Melting and subsolidus relations in the system K2SO4MgSO4CaSO4 were studied using heating-cooling curves, differential thermal analysis, optics, X-ray diffraction at room and high temperatures and by quenching techniques. Previous investigators were unable to study the binary MgSO4CaSO4 system and the adjacent area in the ternary system because of the decomposition of MgSO4 and CaSO4 at high temperatures. This problem was partly overcome by a novel sealed-tube quenching method, by hydrothermal synthesis, and by long-time heating in the solidus. As a result of this study, we found: (1) a new compound, CaSO4??3MgSO4 (m.p. 1201??C) with a field extending into the ternary system; (2) a high temperature form of MgSO4 with a sluggishly reversible inversion. An X-ray diffraction pattern for this polymorphic form is given; (3) the inversion of ??-CaSO4 (anhydrite) to ??-CaSO4 at 1195??C, in agreement with grahmann; (1) (4) the melting point of MgSO4 is 1136??C and that of CaSO4 is 1462??C (using sealed tube methods to prevent decomposition of the sulphates); (5) calcium langbeinite (K2SO4??2CaSO4) is the only compound in the K2SO4CaSO4 binary system. This resolved discrepancies in the results of previous investigators; (6) a continuous solid solution series between congruently melting K2SOP4??2MgSO4 (langbeinite) and incongruently melting K2SO4??2CaSO4 (calcium langbeinite); (7) the liquidus in the ternary system consists of primary phase fields of K2SO4, MgSO4, CaSO4, langbeinite-calcium langbeinite solid solution, and CaSO4??3MgSO4. The CaSO4 field extends over a large portion of the system. Previously reported fields for the compounds (K2SO4??MgSO4??nCaSO4), K2SO4??3CaSO4 and K2SO4??CaSO4 were not found; (8) a minimum in the ternary system at: 740??C, 25% MgSO4, 6% CaSO4, 69% K2SO4; and ternary eutectics at 882??C, 49% MgSO4, 19% CaSO4, 32% K2SO4; and 880??, 67??5% MgSO4, 5% CaSO4, 27??5% K2SO4. ?? 1967.

  6. Ternary hybrid systems of P3HT-CdSe-WS₂ nanotubes for photovoltaic applications.

    PubMed

    Bruno, A; Borriello, C; Haque, S A; Minarini, C; Di Luccio, T

    2014-09-01

    Hybrid heterojunctions of conjugated polymers and inorganic nanomaterials are a promising combination for obtaining high performance solar cells (SC). In this work we have explored new possible uses of the WS2 nanotubes (NTs) both as the only acceptor material blended with a polymer and in ternary systems mixed with a polymer and quantum dots (QDs). In particular we have spectroscopically investigated binary blends of poly(3-hexylthiophene) (P3HT) and WS2 NTs, P3HT and CdSe QDs, and ternary blends of P3HT, CdSe QDs and WS2 NTs. We report fluorescence quenching effects of the QD signal in the P3HT-CdSe-WS2 system with the increase of NT concentration. Static and time-resolved fluorescence studies reveal efficient resonant energy transfer from the QDs to the NTs upon photoexcitation. The evidence of energetic interaction between WS2 NTs and QDs opens new fields of application of WS2 NTs and holds very promising potential for improving charge transfer phenomena in the active layer of hybrid solar cells.

  7. Acoustic studies of ternary mixture phenanthrene toluene heptane as a model of natural flocculating system

    NASA Astrophysics Data System (ADS)

    Bucek, M.; Marczak, W.

    2008-02-01

    Complexity of natural systems causes that results of experimental studies are often ambiguous and extremely unrewarding in interpretation. To overcome this difficulty, relative simple model systems may be investigated in order to provide physical grounds for further discussion. This study deals with adiabatic compressibility of liquid ternary system consisting of phenanthrene, toluene and heptane. Increase of heptane concentration in the mixture changes considerably the partial compressibility of phenanthrene, from common positive value in pure toluene up to clearly negative ones. This is most probably because of self-association of phenanthrene due to strong London forces. Heptane seems to promote the self-association. These feature of the investigated system suggests its usefulness in studies of flocculation of asphaltenes from crude oils.

  8. Experimental measurements of vapor-liquid equilibria of the H2O + CO2 + CH4 ternary system

    USGS Publications Warehouse

    Qin, J.; Rosenbauer, R.J.; Duan, Zhenhao

    2008-01-01

    Reported are the experimental measurements on vapor-liquid equilibria in the H2O + CO2 + CH4 ternary system at temperatures from (324 to 375) K and pressures from (10 to 50) MPa. The results indicate that the CH4 solubility in the ternary mixture is about 10 % to 40 % more than that calculated by interpolation from the Henry's law constants of the binary system, H2O + CH4, and the solubility of CO2 is 6 % to 20 % more than what is calculated by the interpolation from the Henry's law constants of the binary mixture, H 2O + CO2. ?? 2008 American Chemical Society.

  9. Study of a ternary blend system for bulk heterojunction thin film solar cells

    NASA Astrophysics Data System (ADS)

    Ahmad, Zubair; Touati, Farid; Shakoor, R. A.; Al-Thani, N. J.

    2016-08-01

    In this research, we report a bulk heterojunction (BHJ) solar cell consisting of a ternary blend system. Poly(3-hexylthiophene) P3HT is used as a donor and [6,6]-phenyl C61-butyric acid methylester (PCBM) plays the role of acceptor whereas vanadyl 2,9,16,23-tetraphenoxy-29H, 31H-phthalocyanine (VOPcPhO) is selected as an ambipolar transport material. The materials are selected and assembled in such a fashion that the generated charge carriers could efficiently be transported rightwards within the blend. The organic BHJ solar cells consist of ITO/PEDOT:PSS/ternary BHJ blend/Al structure. The power conversion efficiencies of the ITO/ PEDOT:PSS/P3HT:PCBM/Al and ITO/PEDOT:PSS/ P3HT:PCBM:VOPcPhO/Al solar cells are found to be 2.3% and 3.4%, respectively. This publication was made possible by PDRA (Grant No. PDRA1-0117-14109) from the Qatar National Research Fund (a member of Qatar Foundation). The findings achieved herein are solely the responsibility of the authors.

  10. Analytical bond-order potential for the Cd-Zn-Te ternary system

    NASA Astrophysics Data System (ADS)

    Ward, D. K.; Zhou, X. W.; Wong, B. M.; Doty, F. P.; Zimmerman, J. A.

    2012-12-01

    Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in radiation detection and photovoltaic applications. Currently, crystalline defects such as dislocations limit the performance of these materials. Atomistic simulations are a powerful method for exploring crystalline defects at a resolution unattainable by experimental techniques. To enable accurate atomistic simulations of defects in the Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order potential. This Cd-Zn-Te potential has numerous unique advantages over other potential formulations: (1) It is analytically derived from quantum mechanical theories and is therefore more likely to be transferable to environments that are not explicitly tested. (2) A variety of elemental and compound configurations (with coordination varying from 1 to 12) including small clusters, bulk lattices, defects, and surfaces are explicitly considered during parameterization. As a result, the potential captures structural and property trends close to those seen in experiments and quantum mechanical calculations and provides a good description of melting temperature, defect characteristics, and surface reconstructions. (3) Most importantly, this potential is validated to correctly predict the crystalline growth of the ground-state structures for Cd, Zn, Te elements as well as CdTe, ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular dynamics vapor deposition simulations.

  11. Optimized design of recycle chromatography to isolate intermediate retained solutes in ternary mixtures: Langmuir isotherm systems.

    PubMed

    Lee, Ju Weon; Wankat, Phillip C

    2009-10-01

    Batch chromatography with a recycle stream is a popular and simple technique to separate a single target component in a complex mixture with moderate operating conditions. Design of recycle chromatography depends on the retention behaviors of the mixture components. In this work, four nucleosides were considered as solutes. Feed concentration and recycle methods were optimized to isolate only the intermediate retained solute in ternary and pseudo-ternary mixtures. Two recycle methods introduced in our previous work for linear isotherms, the desorbent and feed recycle methods, were compared in terms of productivity and desorbent to feed ratio, D/F, with various feed concentrations for competitive Langmuir isotherm systems. The simulation results show that the target (intermediate retained solute) was separated with over 99.76% purity and 99.88% yield. Productivity of the feed recycle method was increased by up to 162% and D/F was decreased by up to 59% compared to the desorbent recycle method. For the separation of nucleosides, recycle chromatography was compared to eight column simulated moving bed (SMB) cascades with a recycle stream and D/F of the SMB cascades was 58% lower than D/F of recycle chromatography at the same productivity. However, recycle chromatography is much simpler.

  12. Novel siRNA delivery system using a ternary polymer complex with strong silencing effect and no cytotoxicity.

    PubMed

    Kodama, Yukinobu; Shiokawa, Yumi; Nakamura, Tadahiro; Kurosaki, Tomoaki; Aki, Keisei; Nakagawa, Hiroo; Muro, Takahiro; Kitahara, Takashi; Higuchi, Norihide; Sasaki, Hitoshi

    2014-01-01

    We developed a novel small interfering RNA (siRNA) delivery system using a ternary complex with polyethyleneimine (PEI) and γ-polyglutamic acid (γ-PGA), which showed silencing effect and no cytotoxicity. The binary complexes of siRNA with PEI were approximately 73-102 nm in particle size and 45-52 mV in ζ-potential. The silencing effect of siRNA/PEI complexes increased with an increase of PEI, and siRNA/PEI complexes with a charge ratio greater than 16 showed significant luciferase knockdown in a mouse colon carcinoma cell line regularly expressing luciferase (Colon26/Luc cells). However, strong cytotoxicity and blood agglutination were observed in the siRNA/Lipofectamine complex and siRNA/PEI16 complex. Recharging cationic complexes with an anionic compound was reported to be a promising method for overcoming these toxicities. We therefore prepared ternary complexes of siRNA with PEI (charge ratio 16) by the addition of γ-PGA to reduce cytotoxicity and deliver siRNA. As expected, the cytotoxicity of the ternary complexes decreased with an increase of γ-PGA content, which decreased the ζ-potential of the complexes. A strong silencing effect comparable to siRNA/Lipofectamine complex was discovered in ternary complexes including γ-PGA with an anionic surface charge. The high incorporation of ternary complexes into Colon26/Luc cells was confirmed with fluorescence microcopy. Having achieved knockdown of an exogenously transfected gene, the ability of the complex to mediate knockdown of an endogenous housekeeping gene, glyceraldehyde 3-phosphate dehydrogenase (GAPDH), was assessed in B16-F10 cells. The ternary complex (siRNA/PEI16/γ-PGA12 complex) exhibited a significant GAPDH knockdown effect. Thus, we developed a useful siRNA delivery system. PMID:25087949

  13. Study on interaction of mangiferin to insulin and glucagon in ternary system

    NASA Astrophysics Data System (ADS)

    Lin, Hui; Chen, Rui; Liu, Xiaoyan; Sheng, Fenling; Zhang, Haixia

    2010-05-01

    The binding of mangiferin to insulin and glucagon was investigated in the presence and absence of another Peptide by optical spectroscopy. Fluorescence titration experiments revealed that mangiferin quenched the intrinsic fluorescence of insulin and glucagon by static quenching. The ratios of binding constants of glucagon-mangiferin to insulin-mangiferin at different temperatures were calculated in "pure" and ternary system, respectively. The results indicated that the Peptides were competitive with each other to act on mangiferin. Values of the thermodynamic parameters and the experiments of pH effect proved that the key interacting forces between mangiferin and the Peptides were hydrophobic interaction. In addition, UV-vis absorption, synchronous fluorescence and Fourier transform infrared measurements showed that the conformation of insulin and glucagon were changed after adding mangiferin.

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

    NASA Astrophysics Data System (ADS)

    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. Phase Equilibria of the Sn-Ni-Si Ternary System and Interfacial Reactions in Sn-(Cu)/Ni-Si Couples

    NASA Astrophysics Data System (ADS)

    Fang, Gu; Chen, Chih-chi

    2015-07-01

    Interfacial reactions in Sn/Ni-4.5 wt.%Si and Sn-Cu/Ni-4.5 wt.%Si couples at 250°C, and Sn-Ni-Si ternary phase equilibria at 250°C were investigated in this study. Ni-Si alloys, which are nonmagnetic, can be regarded as a diffusion barrier layer material in flip chip packaging. Solder/Ni-4.5 wt.%Si interfacial reactions are crucial to the reliability of soldered joints. Phase equilibria information is essential for development of solder/Ni-Si materials. No ternary compound is present in the Sn-Ni-Si ternary system at 250°C. Extended solubility of Si in the phases Ni3Sn2 and Ni3Sn is 3.8 and 6.1 at.%, respectively. As more Si dissolves in these phases their lattice constants decrease. No noticeable ternary solubility is observed for the other intermetallics. Interfacial reactions in solder/Ni-4.5 wt.%Si are similar to those for solder/Ni. Si does not alter the reaction phases. No Si solubility in the reaction phases was detected, although rates of growth of the reaction phases were reduced. Because the alloy Ni-4.5 wt.%Si reacts more slowly with solders than pure Ni, the Ni-4.5 wt.%Si alloy could be a potential new diffusion barrier layer material for flip chip packaging.

  16. Phase Equilibria of the Ternary Sn-Zn-Co System at 250°C and 500°C

    NASA Astrophysics Data System (ADS)

    Wang, Chao-hong; Huang, Sheng-en; Huang, Po-yen

    2015-12-01

    The isothermal sections of the ternary Sn-Zn-Co system (<60 at.% Co) at 250°C and 500°C have been experimentally determined. A series of Sn-Zn-Co alloys of various compositions were prepared and annealed at the respective temperatures to reach phase equilibrium. The equilibrium phases in these alloys were examined metallographically and characterized by electron probe microanalysis and x-ray diffraction. In this system, the ternary solubilities of all the binary Sn-Co and Co-Zn intermetallic compounds (IMCs) are very limited. For the phase equilibria at 250°C, two ternary IMCs, T1 and T2, were found, whose compositions were Sn-25 at.%Zn-25 at.%Co and Sn-15 at.%Zn-41 at.%Co, respectively. For the phase equilibria at 500°C, in addition to the T2 phase, another ternary IMC, namely T3 (Sn-18 at.%Zn-37 at.%Co), was also found. Moreover, the phase stability of the T1 and T3 phases was investigated at temperatures of 260°C to 400°C in detail. The equilibrium phase was the T1 phase below 300°C, and changed to the T3 phase at 400°C. The crystal structures of these three ternary IMCs were also studied. The T1 phase has a cubic structure ( Pm3m), and the T2 and T3 phases are orthorhombic in space group Cmcm and Pnma, respectively.

  17. A Computationally Efficient Equation of State for Ternary Gas Hydrate Systems

    NASA Astrophysics Data System (ADS)

    White, M. D.

    2012-12-01

    The potential energy resource of natural gas hydrates held in geologic accumulations, using lower volumetric estimates, is sufficient to meet the world demand for natural gas for nearly eight decades, at current rates of increase. As with other unconventional energy resources, the challenge is to economically produce the natural gas fuel. The gas hydrate challenge is principally technical. Meeting that challenge will require innovation, but more importantly, scientific research to understand the resource and its characteristics in porous media. The thermodynamic complexity of gas hydrate systems makes numerical simulation a particularly attractive research tool for understanding production strategies and experimental observations. Simply stated, producing natural gas from gas hydrate deposits requires releasing CH4 from solid gas hydrate. The conventional way to release CH4 is to dissociate the hydrate by changing the pressure and temperature conditions to those where the hydrate is unstable. Alternatively, the guest-molecule exchange technology releases CH4 by replacing it with more thermodynamically stable molecules (e.g., CO2, N2). This technology has three advantageous: 1) it sequesters greenhouse gas, 2) it potentially releases energy via an exothermic reaction, and 3) it retains the hydraulic and mechanical stability of the hydrate reservoir. Numerical simulation of the production of gas hydrates from geologic deposits requires accounting for coupled processes: multifluid flow, mobile and immobile phase appearances and disappearances, heat transfer, and multicomponent thermodynamics. The ternary gas hydrate system comprises five components (i.e., H2O, CH4, CO2, N2, and salt) and the potential for six phases (i.e., aqueous, nonaqueous liquid, gas, hydrate, ice, and precipitated salt). The equation of state for ternary hydrate systems has three requirements: 1) phase occurrence, 2) phase composition, and 3) phase properties. Numerical simulations that predict

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

    PubMed

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

    2015-09-01

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

  19. Statistical thermodynamics of liquid-liquid phase separation in ternary systems during complex coacervation

    NASA Astrophysics Data System (ADS)

    Pawar, Nisha; Bohidar, H. B.

    2010-09-01

    Liquid-liquid phase separation leading to complex coacervation in a ternary system (oppositely charged polyion and macroion in a solvent) is discussed within the framework of a statistical thermodynamics model. The polyion and the macroion in the ternary system interact to form soluble aggregates (complexes) in the solvent, which undergoes liquid-liquid phase separation. Four necessary conditions are shown to drive the phase separation: (i) (σ23)3r/Φ23c≥((64)/(9α2))(χ23Φ3)2 , (ii) r≥[(64(χ23Φ3)2)/(9α2σ233)]1/2 , (iii) χ23≥((2χ231-1))/(Φ23cΦ3) , and (iv) (σ23)2/I≥(8)/(3α)(2χ231-1) (where σ23 is the surface charge on the complex formed due to binding of the polyelectrolyte and macroion, Φ23c is the critical volume fraction of the complex, χ23 is the Flory interaction parameter between polyelectrolyte and macroion, χ231 is the same between solvent and the complex, Φ3 is the volume fraction of the macroions, I is the ionic strength of the solution, α is electrostatic interaction parameter and r is typically of the order of molecular weight of the polyions). It has been shown that coacervation always requires a hydrated medium. In the case of a colloidal macroion and polyelectrolyte coacervation, molecular weight of polyelectrolyte must satisfy the condition r≥103Da to exhibit liquid-liquid phase separation. This model has been successfully applied to study the coacervation phenomenon observed in aqueous Laponite (macroion)-gelatin (polyion) system where it was found that the coacervate volume fraction, δΦ23˜χ2312 (where δΦ23 is the volume fraction of coacervates formed during phase separation). The free energy and entropy of this process have been evaluated, and a free-energy landscape has been drawn for this system that maps the pathway leading to phase separation.

  20. Measurements of solid-liquid equilibria in the ternary system NaCl-NaBr-H2O at 373 K

    NASA Astrophysics Data System (ADS)

    Sang, Shihua; Hu, Yongxia; Cui, Ruizhi; Hu, Juanxin; Wang, Yuan

    2015-07-01

    Solid-liquid equilibria in the ternary system NaCl-NaBr-H2O at 373 K were measured by the isothermal dissolution equilibrium method. The solubilities of salts and densities of saturated solutions in the ternary system were determined experimentally. The equilibrium solid phases were also determined by chemical analysis and X-ray powder diffraction. Using the experimental data, the phase diagram of the ternary system was obtained, which comprise one univariant curve and one stationary phase in crystallization filed of Na (Cl, Br). The ternary system was solid solution type. Density values in the equilibrium solution increase with an increase of the sodium bromide concentration while decrease with an increase of the sodium chloride concentration. The relationship equation of equilibrium liquid phase and the solid phase composition data were fitted with a regression equation.

  1. Minimal effect of lipid charge on membrane miscibility phase behavior in three ternary systems.

    PubMed

    Blosser, Matthew C; Starr, Jordan B; Turtle, Cameron W; Ashcraft, Jake; Keller, Sarah L

    2013-06-18

    Giant unilamellar vesicles composed of a ternary mixture of phospholipids and cholesterol exhibit coexisting liquid phases over a range of temperatures and compositions. A significant fraction of lipids in biological membranes are charged. Here, we present phase diagrams of vesicles composed of phosphatidylcholine (PC) lipids, which are zwitterionic; phosphatidylglycerol (PG) lipids, which are anionic; and cholesterol (Chol). Specifically, we use DiPhyPG-DPPC-Chol and DiPhyPC-DPPG-Chol. We show that miscibility in membranes containing charged PG lipids occurs over similarly high temperatures and broad lipid compositions as in corresponding membranes containing only uncharged lipids, and that the presence of salt has a minimal effect. We verified our results in two ways. First, we used mass spectrometry to ensure that charged PC/PG/Chol vesicles formed by gentle hydration have the same composition as the lipid stocks from which they are made. Second, we repeated the experiments by substituting phosphatidylserine for PG as the charged lipid and observed similar phenomena. Our results consistently support the view that monovalent charged lipids have only a minimal effect on lipid miscibility phase behavior in our system. PMID:23790371

  2. The systems Sr-Zn-{l_brace}Si,Ge{r_brace}: Phase equilibria and crystal structure of ternary phases

    SciTech Connect

    Romaka, V.V.; Falmbigl, M.; Grytsiv, A.; Rogl, P.

    2012-02-15

    Phase relations have been established by electron probe microanalysis (EPMA) and X-ray powder diffraction (XPD) for the Sr-poor part of the ternary systems Sr-Zn-Si at 800 Degree-Sign C and Sr-Zn-Ge at 700 Degree-Sign C. In the Sr-Zn-Si system one new ternary compound SrZn{sub 2+x}Si{sub 2-x} (0{<=}x{<=}0.45) with CeAl{sub 2}Ga{sub 2} structure and a statistical mixture of Zn/Si in the 4e site was found. Neither a type-I nor a type-IX clathrate phase was encountered. This system is characterized by formation of two further phases, i.e. SrZn{sub 1-x}Si{sub 1+x} with ZrBeSi-type (0.16{<=}x{<=}0.22) and SrZn{sub 1-x}Si{sub 1+x} with AlB{sub 2}-type (0.35{<=}x{<=}0.65) with a random distribution of Zn/Si atoms in the 2c site. For the Sr-Zn-Ge system, the homogeneity regions of the isotypic phases SrZn{sub 1-x}Ge{sub 1+x} with ZrBeSi-type (0{<=}x{<=}0.17) and AlB{sub 2}-type (0.32{<=}x{<=}0.56), respectively, have been determined. Whereas the germanide SrZn{sub 2+x}Ge{sub 2-x} (CeAl{sub 2}Ga{sub 2}-type) is characterized by a homogeneity region (0{<=}x{<=}0.5), the clathrate type-I phase Sr{sub 8}Zn{sub 8}Ge{sub 38} shows a point composition. - Graphical abstract: Phase equilibria of ternary compounds in the Sr-Zn-Si-system at 800 Degree-Sign C. Highlights: Black-Right-Pointing-Pointer Phase equilibria in the Sr-Zn-Si-system are established at 800 Degree-Sign C. Black-Right-Pointing-Pointer Phase equilibria in the Sr-Zn-Ge-system are established at 700 Degree-Sign C. Black-Right-Pointing-Pointer Crystal structures of the ternary compounds were confirmed by X-ray powder diffraction. Black-Right-Pointing-Pointer All ternary compounds except the clathrate-I in the Ge-system are characterized by a homogeneity region.

  3. Assessing the impact of nimodipine devitrification in the ternary cosolvent system through quality by design approach.

    PubMed

    Rahman, Ziyaur; Siddiqui, Akhtar; Khan, Mansoor A

    2013-10-15

    Nimodipine (NM) commercial formulation has been recalled due to drug crystallization in the product. Aim of present investigation was to systematically evaluate NM ternary cosolvents systems, characterize the crystallized drug and develop discriminating dissolution method that could detect the drug crystallization in the product. Mixture design was constructed using independent components namely water (X1), glycerin (X2) and polyethylene glycol 400 (X3, PEG-400). Nineteen formulations were developed using various level of cosolvents mixture while drug concentration was kept constant. The response selected was the drug crystallized in the formulations kept at four storage conditions 5 °C, 15 °C, 25 °C and 25 °C/60% RH for four weeks. The crystallized drug was characterized by Fourier transformed infrared (FTIR), near infrared (NIR), NIR-chemical imaging and Raman spectroscopies, powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC) and scanning electron microscopy. Dissolution of formulation and modification was tested by USP method 2 in 0.25 and 0.50% sodium lauryl sulphate (SLS) aqueous media and run at 50 and 75 rpm. X1 promoted drug crystallization at all conditions of storage and reverse was true for X3. Characterization data indicated that the crystallized drug in most of the formulations were modification II, but a few formulations contained significant proportion of the modification I. Dissolution in 0.25% (w/v) SLS at 75 rpm was more discriminating in detecting the crystallization in the product compared to dissolution in 0.5% (w/v) SLS media. In summary, cosolvents system of NM was prone to crystallization depending upon the cosolvents composition and storage conditions. A more rational approach to develop NM formulation would entail a then through understanding of the causes of crystallization and their characterization in a variety of storage conditions.

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

    PubMed

    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.

  5. Hydrodynamic interactions in the structural fluctuation of a ternary amphiphilic system C_{12}E5/water/{n}-octane

    NASA Astrophysics Data System (ADS)

    Komura, Shigehiro; Takeda, T.; Kawabata, Y.; Ghosh, S. K.; Seto, H.; Nagao, M.

    2001-06-01

    Dynamical fluctuations of microemulsion and lamellar structures in a ternary amphiphilic system C{12}E {5}/water/n-octane are studied by means of neutron spin echo spectrometry. The decay rate of the time correlation of the concentration was analyzed in terms of a theory (M. Nonomura, T. Ohta, J. Chem. Phys. 110, 7516 (1999)), in which both van Hove and hydrodynamic interactions are considered. The result shows that the time correlation function is expressed mostly by a single exponential determined exclusively by hydrodynamic interactions.

  6. Structural studies of the metal-rich region in the ternary Ta-Nb-S system

    SciTech Connect

    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.

  7. Binary and Ternary Catalytic Systems for Olefin Metathesis Based on MoCl5/SiO2

    NASA Astrophysics Data System (ADS)

    Bykov, Victor I.; Belyaev, Boris A.; Butenko, Tamara A.; Finkelshtein, Eugene Sh.

    Kinetics of α-olefin metathesis in the presence of binary (MoCl5/ SiO2-Me4Sn) and ternary catalytic systems (MoCl5/SiO2-Me4Sn-ECl4, E = Si or Ge) was studied. Specifically, kinetics and reactivity of 1-decene, 1-octene, and 1-hexene in the metathesis reaction at 27°C and 50°C in the presence of MoCl5/ SiO2-SnMe4 were examined and evaluated in detail. It was shown that experimental data comply well with the simple kinetic equation for the rate of formation of symmetrical olefins with allowance for the reverse reaction and catalyst deactivation: r = left( {k_1 \\cdot c_α - k_{ - 1} \\cdot c_s } right) \\cdot e^{ - k_d \\cdot tilde n_{tot} } . The coefficients for this equation were determined, and it was shown that these α-olefins had practically the same reactivity. It was found that reactivation in the course of metathesis took place due to the addition of a third component (silicon tetrachloride or germanium tetrachloride in combination with tetramethyltin) to a partially deactivated catalyst. The number of active centers was determined (5-6% of the amount of Mo) and the mechanisms of formation, deactivation, and reactivation were proposed for the binary and ternary catalytic systems. The role of individual components of the catalytic systems was revealed.

  8. Peculiarities of thermoelectric half-Heusler phase formation in Gd-Ni-Sb and Lu-Ni-Sb ternary systems

    NASA Astrophysics Data System (ADS)

    Romaka, V. V.; Romaka, L.; Horyn, A.; Rogl, P.; Stadnyk, Yu; Melnychenko, N.; Orlovskyy, M.; Krayovskyy, V.

    2016-07-01

    The phase equilibria in the Gd-Ni-Sb and Lu-Ni-Sb ternary systems were studied at 873 K by X-ray and metallographic analyses in the whole concentration range. The interaction of the elements in the Gd-Ni-Sb system results the formation of five ternary compounds at investigated temperature: Gd5Ni2Sb (Mo5SiB2-type), Gd5NiSb2 (Yb5Sb3-type), GdNiSb (MgAgAs-type), Gd3Ni6Sb5 (Y3Ni6Sb5-type), and GdNi0.72Sb2 (HfCuSi2-type). At investigated temperature the Lu-Ni-Sb system is characterized by formation of the LuNiSb (MgAgAs-type), Lu5Ni2Sb (Mo5SiB2-type), and Lu5Ni0.56Sb2.44 (Yb5Sb3-type) compounds. The disordering in the crystal structure of half-Heusler GdNiSb and LuNiSb was revealed by EPMA and studied by means of Rietveld refinement and DFT modeling. The performed electronic structure calculations are in good agreement with electrical transport property studies.

  9. Bulk single crystal ternary substrates for a thermophotovoltaic energy conversion system

    DOEpatents

    Charache, G.W.; Baldasaro, P.F.; Nichols, G.J.

    1998-06-23

    A thermophotovoltaic energy conversion device and a method for making the device are disclosed. The device includes a substrate formed from a bulk single crystal material having a bandgap (E{sub g}) of 0.4 eV < E{sub g} < 0.7 eV and an emitter fabricated on the substrate formed from one of a p-type or an n-type material. Another thermophotovoltaic energy conversion device includes a host substrate formed from a bulk single crystal material and lattice-matched ternary or quaternary III-V semiconductor active layers. 12 figs.

  10. Bulk single crystal ternary substrates for a thermophotovoltaic energy conversion system

    DOEpatents

    Charache, Greg W.; Baldasaro, Paul F.; Nichols, Greg J.

    1998-01-01

    A thermophotovoltaic energy conversion device and a method for making the device. The device includes a substrate formed from a bulk single crystal material having a bandgap (E.sub.g) of 0.4 eVternary or quaternary III-V semiconductor active layers.

  11. Phase Relations at 1500°C in the Ternary System ZrO 2-Gd 2O 3-TiO 2

    NASA Astrophysics Data System (ADS)

    Feighery, A. J.; Irvine, J. T. S.; Zheng, C.

    2001-09-01

    Phase relations at 1500°C in the ternary system ZrO2-Gd2O3-TiO2 have been determined by the powder X-ray diffraction of samples prepared by standard solid state reaction. A large area of this ternary oxide system centered on the Gd2Ti2O7-Gd2Zr2O7 join was shown to exhibit the pyrochlore and defect fluorite structures. The pyrochlore structure was observed for stoichiometries as far from the ideal M4O7 as M4O6.7 and M4O7.4, although the degree of disorder seemed much higher at these stoichiometries. On further deviation from the ideal M4O7 stoichiometry a smooth transition to fluorite average structure was observed for Zr-rich compositions. None of the other binary phases were observed to show significant extent of solid solution into the ternary region.

  12. Investigations in the ternary praseodymium-boron-carbon system: Solid-state phase diagram and structural chemistry

    NASA Astrophysics Data System (ADS)

    Babizhetskyy, Volodymyr; Simon, Arndt; Halet, Jean-François

    2015-09-01

    The solid-state phase equilibrium in the Pr-B-C system was established using X-ray diffraction, scanning electron microscopy and electron probe microanalysis. The region up to 60 at % of Pr was studied at 1270 K, whereas the Pr-rich corner, due to the generally lower melting points, was investigated at 1070 K. Eleven ternary compounds were isolated. The existence of PrB2C2, Pr5B2C5, Pr5B4C5, Pr5B2C6, PrBC, and Pr10B9C12 was confirmed. Pr15B6C20 and Pr25B14C26 have been found only in arc-melted alloys. Three new ternary compounds were isolated, namely Pr2BC, ∼Pr4B3C13 and ∼Pr7B9C34. The monoclinic structure of Pr2BC was solved from X-ray single crystal data: space group C2/m (a = 13.088(1) Å, b = 3.6748(8) Å, c = 9.488(1) Å, β = 131.03(1)°, R1 = 0.035 (wR2 = 0.086) for 585 reflections with Io > 2σ (Io)). Additionally, the phase of Pr5B2C6 was analyzed showing a broad homogeneity range described by the formula Pr5(BC)x (7.5 ≤ x ≤ 9.3).

  13. An Experimental Study of Transient Liquid Phase Bonding of the Ternary Ag-Au-Cu System Using Differential Scanning Calorimetry

    NASA Astrophysics Data System (ADS)

    Kuntz, M. L.; Panton, B.; Wasiur-Rahman, S.; Zhou, Y.; Corbin, S. F.

    2013-08-01

    An experimental approach using differential scanning calorimetry (DSC) has been applied to quantify the solid/liquid interface kinetics during the isothermal solidification stage of transient liquid phase (TLP) bonding in an Ag-Au-Cu ternary alloy solid/liquid diffusion couple. Eutectic Ag-Au-Cu foil interlayers were coupled with pure Ag base metal to study the effects of two solutes on interface motion. Experimental effects involving baseline shift and primary solidification contribute to a systematic underestimation of the fraction of liquid remaining. A temperature program has been used to quantify and correct these effects. The experimental results show a linear relationship between the interface position and the square root of the isothermal hold time. The shifting tie line composition at the interface has been shown to affect the DSC results; however, the impact on the calculated interface kinetics has been shown to be minimal in this case. This work has increased the knowledge of isothermal solidification in ternary alloy systems and developed accurate experimental methods to characterize these processes, which is valuable for designing TLP bonding schedules.

  14. Phase diagram, thermal stability, and high temperature oxidation of the ternary copper-nickel-iron system

    NASA Astrophysics Data System (ADS)

    Gallino, Isabella

    Due to the aluminum industry demands, a large effort has recently been devoted to the development of special alloys to be used as inert anodes for a newly designed aluminum reduction cell. The implementation of this new technology aims at the replacement of the graphite anodes that have been used for over 100 years in aluminum smelting, which would reduce fossil carbon consumption, and eliminate the emission of carbon dioxide and of perfluorocarbons. Ternary alloys containing copper, nickel, and iron have been the subject of the research activities. The present research focused on the stability of the Cu-Ni-Fe alloys at high temperatures in oxidizing and fluoridating environments. The experimental methods included thermodynamic calculations of the phase diagram (Thermocalc), optical microscopy and microprobe microstructural and chemical investigations (EMPA), small-angle neutron scattering (SANS), differential thermal analysis (DTA), and air-oxidation studies. The results have led to the optimization of the Cu-Ni-Fe ternary phase diagram and to an extensive study of the thermodynamics and kinetics of the spinodal decomposition and discontinuous reactions occurring during ageing as a function of alloy composition. The oxidizing reactions occurring in air at high temperatures at the surface of the alloys have been also discussed in terms of thermodynamic and kinetic laws. The phase formation in a fluorine containing environment as encountered in an aluminum electrolytic cell is predicted using principles of physical chemistry.

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

    SciTech Connect

    Cacciotti, Ilaria; Valentini, Manlio; Nanni, Francesca

    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.

  16. A study of the dielectric behaviour and the liquid structure of a ternary solvent system.

    PubMed

    Cocchi, Marina; Franchini, GianCarlo; Marchetti, Andrea; Pigani, Laura; Seeber, Renato; Tassi, Lorenzo; Ulrici, Alessandro; Zanardi, Chiara; Zannini, Paolo

    2004-03-01

    The static dielectric constant of the [DMF(1) + ME(2) + DME(3)] ternary mixtures was measured as a function of temperature (25 < or = t/degrees C < or = 80) and composition, over the whole mole fraction range 0 < or = chi,chi2,chi3 < or = 1. The experimental values were processed by an empirical equation accounting for the dependence epsilon = epsilon(T, phi(i)), where phi(t) is the volume fraction of the components. A comparison between calculated and experimental data shows that this fitting relationship can be effectively employed to predict epsilon values in correspondence to experimental data gaps. Starting from the experimental measurements, some derived quantities such as molar polarisation (P), and excess counterpart (PE) were obtained. Both the excess properties, epsilonE and PE, take values partly positive and partly negative under all experimental conditions. The values of the excess quantities are indicative of the presence of specific interactions among different components in the mixtures.

  17. On the rheology of pendular gels and morphological developments in paste-like ternary systems based on capillary attraction.

    PubMed

    Domenech, Trystan; Velankar, Sachin S

    2015-02-28

    We investigate capillary bridging-induced gelation phenomena in silica particle suspensions and pastes, where a particle-wetting fluid is added as the third component. Increasing the wetting fluid loading in the ternary system induces a morphological transition from a pendular network to compact capillary aggregates network, with an intermediate funicular state. To our knowledge, the formation of percolated structures from compact capillary aggregates when the volume fraction of a wetting fluid approaches that of the particles is unprecedented. Such structures appear to result from the arrested coalescence of compact capillary aggregates due to the balance between the Laplace pressure and solid-like properties (yield stress, elasticity) of the aggregates. Shear-induced yielding of the ternary systems, linked to their percolating nature, is strongly influenced by the amount of wetting fluid phase. A non-monotonic dependence of the yield stress on the amount of wetting fluid is found, with the maximum yield stress obtained for a wetting fluid-to-particle volume fraction ratio of 0.2-0.3. For pendular systems, linear viscoelastic properties display a soft glassy rheological behavior above the percolation threshold (around 4 vol% particles), and complex viscosity data can be scaled using the high frequency plateau value, as well as a single characteristic relaxation time, which decreases when the particle concentration is increased. In addition, the particle concentration dependence of the yielding transition in the pendular regime appears to be efficiently described by two parameters extracted from the steady state flow curves: the yield stress and the limiting viscosity at a high shear rate. Although these non-colloidal networks result from flow-driven assembly, the scaling laws for our pendular gels are reminiscent of colloidal gels with a fractal geometry. Our studies pinpoint new pathways to create physical gels where the interparticle attraction strength is

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

    PubMed

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

    2016-09-01

    Chemical immobilization by phosphates has been widely and successfully applied to treat Pb in wastewater and contaminated soils. Pb in wastewaters and soils, however, always coexists with other heavy metals and their competitive reactions with phosphates have not been quantitatively and systematically studied. In this approach, immobilization of Pb, Zn, and Cd by mono-, di-, and tripotassium phosphate (KH2PO4, K2HPO4, and K3PO4) was observed in the single- and ternary-metals solutions. The immobilization rates of the three metals were determined by the residual concentration. The mineral composition and structure of the precipitates were characterized by powder X-ray diffraction (XRD) analysis and scanning electron microscopy (SEM). The results indicated that competitive reaction occurred in Pb-Zn-Cd ternary system, with immobilization rates decrease of <3.6%, <78%, and <89% for Pb, Zn and Cd (molar ratios of P: metal <1), respectively, compared to single metal system. The reaction of Pb with three phosphates exhibited intense competitiveness and the phosphates had a stronger affinity for Pb when Cl(-) was added. Pb-phosphate minerals formed by KH2PO4 with the better crystalline characteristics and largest size were very stable with a low dissolution rate (<0.02%) in the solution of pH 2.88, compared to K2HPO4 and K3PO4. This study demonstrated that Pb could be firstly and effectively immobilized by phosphates in multi-metal solutions containing Pb, Zn and Cd. Moreover, the research provided the insight of the importance of phosphate with low pH (e.g. KH2PO4) and the presence of Cl(-) for more efficient immobilization of Pb in the multi-metals pollution system. PMID:27276163

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

    PubMed

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

    2016-09-01

    Chemical immobilization by phosphates has been widely and successfully applied to treat Pb in wastewater and contaminated soils. Pb in wastewaters and soils, however, always coexists with other heavy metals and their competitive reactions with phosphates have not been quantitatively and systematically studied. In this approach, immobilization of Pb, Zn, and Cd by mono-, di-, and tripotassium phosphate (KH2PO4, K2HPO4, and K3PO4) was observed in the single- and ternary-metals solutions. The immobilization rates of the three metals were determined by the residual concentration. The mineral composition and structure of the precipitates were characterized by powder X-ray diffraction (XRD) analysis and scanning electron microscopy (SEM). The results indicated that competitive reaction occurred in Pb-Zn-Cd ternary system, with immobilization rates decrease of <3.6%, <78%, and <89% for Pb, Zn and Cd (molar ratios of P: metal <1), respectively, compared to single metal system. The reaction of Pb with three phosphates exhibited intense competitiveness and the phosphates had a stronger affinity for Pb when Cl(-) was added. Pb-phosphate minerals formed by KH2PO4 with the better crystalline characteristics and largest size were very stable with a low dissolution rate (<0.02%) in the solution of pH 2.88, compared to K2HPO4 and K3PO4. This study demonstrated that Pb could be firstly and effectively immobilized by phosphates in multi-metal solutions containing Pb, Zn and Cd. Moreover, the research provided the insight of the importance of phosphate with low pH (e.g. KH2PO4) and the presence of Cl(-) for more efficient immobilization of Pb in the multi-metals pollution system.

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

    PubMed Central

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

    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 m2; Sn (distorted icosa­hedron) m2. The structure contains a graphite-type Sn network, Kagome nets of Nb atoms, and Tb atoms alternating with Sn2 dumbbells in the channels. PMID:21589205

  1. Liquid-liquid equilibria for the ternary systems sulfolane + octane + benzene, sulfolane + octane + toluene and sulfolane + octane + p-xylene

    SciTech Connect

    Lee, S.; Kim, H.

    1995-03-01

    Sulfolane is widely used as a solvent for the extraction of aromatic hydrocarbons. Ternary phase equilibrium data are essential for the proper understanding of the solvent extraction process. Liquid-liquid equilibrium data for the systems sulfolane + octane + benzene, sulfolane + octane + toluene and sulfolane + octane + p-xylene were determined at 298.15, 308.15, and 318.15 K. Tie line data were satisfactorily correlated by the Othmer and Tobias method. The experimental data were compared with the values calculated by the UNIQUAC and NRTL models. Good quantitative agreement was obtained with these models. However, the calculated values based on the NRTL model were found to be better than those based on the UNIQUAC model.

  2. Dynamics and control of recycle systems. 4. Ternary systems with one or two recycle streams

    SciTech Connect

    Tyreus, B.D. ); Luyben, W.L. . Department of Chemical Engineering)

    1993-06-01

    This paper is the fourth in a series of papers that explore the challenging problems associated with the dynamics and control of recycle systems. The reactions considered in previous papers were fairly simple. Only first-order reactions were considered, so there was only one fresh feed stream. In this paper, second-order kinetics are considered with two fresh-feed makeup streams. Two cases are considered: (1) instantaneous and complete one-pass conversion of one of the two components in the reactor so there is an excess of only one component that must be recycled and (2) incomplete conversion per pass so there are two recycle streams. It is shown that the generic liquid-recycle rule proposed by Luyben applies in both of these cases: snowballing is prevented by fixing the flow rate somewhere in the recycle system. An additional generic rule is proposed: fresh feed makeup of any component cannot be fixed unless the component undergoes complete single-pass conversion. In the complete one-pass conversion case, throughput can be set by fixing the flow rate of the limiting reactant. The makeup of the other reactant should be set by level control in the reflux drum of the distillation column. In the incomplete conversion case, two workable schemes were found: (1) Both recycle flow rates are fixed and both fresh-feed makeups are brought in on level control. Throughput is controlled by changing either the reactor temperature or the recycle flow rates. (2) One fresh-feed makeup controls reactor level and the other controls the composition in the reactor. Throughput is controlled by setting reactor temperature or reactor effluent flow rate.

  3. Phase transformations in ternary monotectic aluminum alloys

    NASA Astrophysics Data System (ADS)

    Gröbner, Joachim; Schmid-Fetzer, Rainer

    2005-09-01

    Monotectic aluminum alloys are of interest for the development of new alloys for technological applications such as self-lubricating bearings. In contrast to the well-known binary phase diagrams, many of the ternary systems are not well established. Moreover, in a ternary monotectic alloy one may encounter the four-phase equilibrium L‧+L″+solid1+solid2, whereas in a binary system only a three-phase equilibrium L‧+L″+solid1 is possible. This opens a window for generating entirely new monotectic microstructures. The basis for such developments is the knowledge of the ternary phase diagrams and the conditions under which such four-phase reactions or different extensions of the binary monotectic reactions may form. This work presents a systematic classification of monotectic ternary aluminum alloys, illustrated by real systems. The study employs thermodynamic calculations of the ternary phase diagrams.

  4. Melting point equations for the ternary system water/sodium chloride/ethylene glycol revisited.

    PubMed

    Benson, James D; Bagchi, Aniruddha; Han, Xu; Critser, John K; Woods, Erik J

    2010-12-01

    Partial phase diagrams are of considerable utility in the development of optimized cryobiological procedures. Recent theoretical predictions of the melting points of ternary solutions of interest to cryobiology have caused us to re-examine measurements that our group made for the ethylene-glycol-sodium chloride-water phase diagram. Here we revisit our previous experiments by measuring melting points at five ethylene-glycol to sodium chloride ratios (R values; R=5, 10, 15, 30, and 45) and five levels of concentration for each ratio. Melting points were averaged from three measurements and plotted as a function of total solute concentration for each R value studied. The new measurements differed from our original experimental values and agreed with predicted values from both theoretical models. Additionally, the data were fit to the polynomial described in our previous report and the resulting equation was obtained: T(m) = (38.3-2.145 x 10⁻¹ R)w + (81.19 - 2.909×10⁻¹ R)w², where w is the total solute mass fraction. This new equation provided good fits to the experimental data as well as published values and relates the determined polynomial constants to the R value of the corresponding isopleths of the three dimensional phase diagram, allowing the liquids curve for any R value to be obtained. PMID:20955693

  5. Melting point equations for the ternary system water/sodium chloride/ethylene glycol revisited.

    PubMed

    Benson, James D; Bagchi, Aniruddha; Han, Xu; Critser, John K; Woods, Erik J

    2010-12-01

    Partial phase diagrams are of considerable utility in the development of optimized cryobiological procedures. Recent theoretical predictions of the melting points of ternary solutions of interest to cryobiology have caused us to re-examine measurements that our group made for the ethylene-glycol-sodium chloride-water phase diagram. Here we revisit our previous experiments by measuring melting points at five ethylene-glycol to sodium chloride ratios (R values; R=5, 10, 15, 30, and 45) and five levels of concentration for each ratio. Melting points were averaged from three measurements and plotted as a function of total solute concentration for each R value studied. The new measurements differed from our original experimental values and agreed with predicted values from both theoretical models. Additionally, the data were fit to the polynomial described in our previous report and the resulting equation was obtained: T(m) = (38.3-2.145 x 10⁻¹ R)w + (81.19 - 2.909×10⁻¹ R)w², where w is the total solute mass fraction. This new equation provided good fits to the experimental data as well as published values and relates the determined polynomial constants to the R value of the corresponding isopleths of the three dimensional phase diagram, allowing the liquids curve for any R value to be obtained.

  6. Spectroscopic evidence for ternary surface complexes in the lead(II)-malonic acid-hematite system

    USGS Publications Warehouse

    Lenhart, J.J.; Bargar, J.R.; Davis, J.A.

    2001-01-01

    Using extended X-ray absorption fine structure (EXAFS) and attenuated total reflectance Fourier-transform infrared (ATR-FTIR) measurements, we examined the sorption of Pb(II) to hematite in the presence of malonic acid. Pb LIII-edge EXAFS measurements performed in the presence of malonate indicate the presence of both Fe and C neighbors, suggesting that a major fraction of surface-bound malonate is bonded to adsorbed Pb(II). In the absence of Pb(II), ATR-FTIR measurements of sorbed malonate suggest the formation of more than one malonate surface complex. The dissimilarity of the IR spectrum of malonate sorbed on hematite to those for aqueous malonate suggest at least one of the sorbed malonate species is directly coordinated to surface Fe atoms in an inner-sphere mode. In the presence of Pb, little change is seen in the IR spectrum for sorbed malonate, indicating that geometry of malonate as it coordinates to sorbed Pb(II) adions is similar to the geometry of malonate as it coordinates to Fe in the hematite surface. Fits of the raw EXAFS spectra collected from pH 4 to pH 8 result in average Pb-C distances of 2.98 to 3.14 A??, suggesting the presence of both four- and six-membered Pb-malonate rings. The IR results are consistent with this interpretation. Thus, our results suggest that malonate binds to sorbed Pb(II) adions, forming ternary metal-bridging surface complexes. ?? 2001 Academic Press.

  7. On the importance of thermodynamic investigations for the re-assessment of selected ternary Fe-base systems

    NASA Astrophysics Data System (ADS)

    Presoly, P.; Bernhard, C.

    2016-07-01

    Reliable thermodynamic data are essential for the design and the production of new alloying systems. Particularly, the knowledge of the high-temperature phase transformations (TLiquid, TSolid, TPerit, Tγ→δ) are important for the solidification and the further processing. Investigations of selected commercial Dual-Phase, TRIP and high-Mn TWIP steels by DTA/DSC measurements show that the experimental results differ significantly from the calculation results of thermodynamic databases with respect to the phase transformation temperature and sequence. Based on these findings, it is very important to identify the defective subsystems of complex alloys in order to optimise the thermodynamic databases. In order to verify a quaternary system, e.g. the Fe-C-Si-Mn system, it is important to check the corresponding ternary subsystems. This was performed by DSC measurements of selected model alloys. By doing so, it was found that in Si- and Mn-alloyed Dual-Phase steels the thermodynamic description of the Fe-Si-Mn system is currently inadequate. This is a very important result, since all new designed steel grades for the automotive industry are based on a Fe-C-Si-Mn matrix.

  8. Studies of high temperature ternary phases in mixed-metal-rich early transition metal sulfide and phosphide systems

    SciTech Connect

    Marking, G.A.

    1994-01-04

    Investigations of ternary mixed early transition metal-rich sulfide and phosphide systems resulted in the discovery of new structures and new phases. A new series of Zr and Hf - group V transition metal - sulfur K-phases was synthesized and crystallographically characterized. When the group V transition metal was Nb or Ta, the unit cell volume was larger than any previously reported K-phase. The presence of adventitious oxygen was determined in two K-phases through a combination of neutron scattering and X-ray diffraction experiments. A compound Hf{sub 10}Ta{sub 3}S{sub 3} was found to crystallize in a new-structure type similar to the known gamma brasses. This structure is unique in that it is the only reported {open_quotes}stuffed{close_quotes} gamma-brass type structure. The metal components, Hf and Ta, are larger in size and more electropositive than the metals found in normal gamma brasses (e.g. Cu and Zn) and because of the larger metallic radii, sulfur can be incorporated into the structure where it plays an integral role in stabilizing this phase relative to others. X-ray single-crystal, X-ray powder and neutron powder refinements were performed on this structure. A new structure was found in the ternary Nb-Zr-P system which has characteristics in common with many known early transition metal-rich sulfides, selenides, and phosphides. This structure has the simplest known interconnection of the basic building blocks known for this structural class. Anomalous scattering was a powerful tool for differentiating between Zr and Nb when using Mo K{alpha} X-radiation. The compounds ZrNbP and HfNbP formed in the space group Prima with the simple Co{sub 2}Si structure which is among the most common structures found for crystalline solid materials. Solid solution compounds in the Ta-Nb-P, Ta-Zr-P, Nb-Zr-P, Hf-Nb-P, and Hf-Zr-S systems were crystallographically characterized. The structural information corroborated ideas about bonding in metal-rich compounds.

  9. Experimental Investigation and Thermodynamic Calculation of the Phase Equilibria in the Mg-Gd-Mn Ternary System

    NASA Astrophysics Data System (ADS)

    Zhang, Fan; Hu, Biao; Xu, Honghui; Liu, Shuhong; Zhou, Tao; Jin, Zhanpeng

    2015-10-01

    The phase equilibria of the Mg-Gd-Mn system at 773 K (500 °C) were investigated with sixteen alloys, by means of X-ray diffraction technique and electron probe microanalyses. Eight three-phase equilibria were accurately determined. No ternary compound was observed at 773 K (500 °C). The solubility of the third elements in the binary phases was measured. The isothermal section of the Mg-Gd-Mn system at 773 K (500 °C) was firstly established. It is worth mentioning that the three-phase field GdMg3-GdMg5-( αMn) was experimentally observed and is different from the three-phase field GdMg3-GdMg5-GdMn12 predicted using only the binary interaction parameters. Using the CALPHAD method, a thermodynamic modeling of the Mg-Gd-Mn system has been carried out in order to reasonably describe the experimental observations. The substitutional solution and sublattice models were used to describe the solution phases and intermediate phases. Comprehensive comparison between the calculated and measured isothermal sections shows that the experimental information is satisfactorily accounted for by the present thermodynamic modeling.

  10. Analysis of physicochemical properties of ternary systems of oxaprozin with randomly methylated-ß-cyclodextrin and l-arginine aimed to improve the drug solubility.

    PubMed

    Mennini, Natascia; Maestrelli, Francesca; Cirri, Marzia; Mura, Paola

    2016-09-10

    The influence of l-arginine on the complexing and solubilizing power of randomly-methylated-β-cyclodextrin (RameβCD) towards oxaprozin, a very poorly soluble anti-inflammatory drug, was examined. The interactions between the components were investigated both in solution, by phase-solubility analysis, and in the solid state, by differential scanning calorimetry, FTIR and X-ray powder diffractometry. The morphology of the solid products was examined by Scanning Electron Microscopy. Results of phase-solubility studies indicated that addition of arginine enhanced the RameβCD complexing and solubilizing power of about 3.0 and 4.5 times, respectively, in comparison with the binary complex (both at pH≈6.8). The effect of arginine was not simply additive, but synergistic, being the ternary system solubility higher than the sum of those of the respective drug-CD and drug-arginine binary systems. Solid equimolar ternary systems were prepared by physical mixing, co-grinding, coevaporation and kneading techniques, to explore the effect of the preparation method on the physicochemical properties of the final products. The ternary co-ground product exhibited a dramatic increase in both drug dissolution efficiency and percent dissolved at 60min, whose values (83.6 and 97.1, respectively) were about 3 times higher than the sum of those given by the respective drug-CD and drug-aminoacid binary systems. Therefore, the ternary co-ground system with arginine and RameβCD appears as a very valuable product for the development of new more effective delivery systems of oxaprozin, with improved safety and bioavailability. PMID:27454086

  11. Direct phase coexistence molecular dynamics study of the phase equilibria of the ternary methane-carbon dioxide-water hydrate system.

    PubMed

    Michalis, Vasileios K; Tsimpanogiannis, Ioannis N; Stubos, Athanassios K; Economou, Ioannis G

    2016-09-14

    Molecular dynamics simulation is used to predict the phase equilibrium conditions of a ternary hydrate system. In particular, the direct phase coexistence methodology is implemented for the determination of the three-phase coexistence temperature of the methane-carbon dioxide-water hydrate system at elevated pressures. The TIP4P/ice, TraPPE-UA and OPLS-UA forcefields for water, carbon dioxide and methane respectively are used, in line with our previous studies of the phase equilibria of the corresponding binary hydrate systems. The solubility in the aqueous phase of the guest molecules of the respective binary and ternary systems is examined under hydrate-forming conditions, providing insight into the predictive capability of the methodology as well as the combination of these forcefields to accurately describe the phase behavior of the ternary system. The three-phase coexistence temperature is calculated at 400, 1000 and 2000 bar for two compositions of the methane-carbon dioxide mixture. The predicted values are compared with available calculations with satisfactory agreement. An estimation is also provided for the fraction of the guest molecules in the mixed hydrate phase under the conditions examined. PMID:27507133

  12. Direct phase coexistence molecular dynamics study of the phase equilibria of the ternary methane-carbon dioxide-water hydrate system.

    PubMed

    Michalis, Vasileios K; Tsimpanogiannis, Ioannis N; Stubos, Athanassios K; Economou, Ioannis G

    2016-09-14

    Molecular dynamics simulation is used to predict the phase equilibrium conditions of a ternary hydrate system. In particular, the direct phase coexistence methodology is implemented for the determination of the three-phase coexistence temperature of the methane-carbon dioxide-water hydrate system at elevated pressures. The TIP4P/ice, TraPPE-UA and OPLS-UA forcefields for water, carbon dioxide and methane respectively are used, in line with our previous studies of the phase equilibria of the corresponding binary hydrate systems. The solubility in the aqueous phase of the guest molecules of the respective binary and ternary systems is examined under hydrate-forming conditions, providing insight into the predictive capability of the methodology as well as the combination of these forcefields to accurately describe the phase behavior of the ternary system. The three-phase coexistence temperature is calculated at 400, 1000 and 2000 bar for two compositions of the methane-carbon dioxide mixture. The predicted values are compared with available calculations with satisfactory agreement. An estimation is also provided for the fraction of the guest molecules in the mixed hydrate phase under the conditions examined.

  13. Investigation of the Phase Equilibria of Sn-Cu-Au Ternary and Ag-Sn-Cu-Au Quaternary Systems and Interfacial Reactions in Sn-Cu/Au Couples

    NASA Astrophysics Data System (ADS)

    Yen, Yee-Wen; Jao, Chien-Chung; Hsiao, Hsien-Ming; Lin, Chung-Yung; Lee, Chiapyng

    2007-02-01

    The phase equilibria of the Sn-Cu-Au ternary, Ag-Sn-Cu-Au quaternary systems and interfacial reactions between Sn-Cu alloys and Au were experimentally investigated at specific temperatures in this study. The experimental results indicated that there existed three ternary intermetallic compounds (IMCs) and a complete solid solubility between AuSn and Cu6Sn5 phases in the Sn-Cu-Au ternary system at 200°C. No quaternary IMC was found in the isoplethal section of the Ag-Sn-Cu-Au quaternary system. Three IMCs, AuSn, AuSn2, and AuSn4, were found in all couples. The same three IMCs and (Au,Cu)Sn/(Cu,Au)6Sn5 phases were found in all Sn-Cu/Au couples. The thickness of these reaction layers increased with increasing temperature and time. The mechanism of IMC growth can be described by using the parabolic law. In addition, when the reaction time was extended and the Cu content of the alloy was increased, the AuSn4 phase disappeared gradually. The (Au, Cu)Sn and (Cu,Au)6Sn5 layers played roles as diffusion barriers against Sn in Sn-Cu/Au reaction couple systems.

  14. Thermionic emission and vaporization behavior of the ternary systems of lanthanum hexaboride containing molybdenum boride, molybdenum diboride, zirconium diboride, gadolinium hexaboride, and neodymium hexaboride

    NASA Astrophysics Data System (ADS)

    Storms, E. K.

    1983-02-01

    The addition of various compounds to LaB6 did not improve the thermionic emission over that of pure LaB6. This experience and general conclusions, which result by considering the vaporization properties of these and other materials, greatly limit the options available to improve the properties of LaB6 by forming a ternary system. The principles which must be considered, in order to simplify future work, are described.

  15. Experimental Investigation and Thermodynamic Assessment of Phase Equilibria in the PLLA/Dioxane/Water Ternary System for Applications in the Biomedical Field.

    PubMed

    Ruggiero, Flavia; Netti, Paolo Antonio; Torino, Enza

    2015-12-01

    Fundamental understanding of thermodynamic of phase separation plays a key role in tuning the desired features of biomedical devices. In particular, phase separation of ternary solution is of remarkable interest in processes to obtain biodegradable and biocompatible architectures applied as artificial devices to repair, replace, or support damaged tissues or organs. In these perspectives, thermally induced phase separation (TIPS) is the most widely used technique to obtained porous morphologies and, in addition, among different ternary systems, polylactic acid (PLLA)/dioxane/water has given promising results and has been largely studied. However, to increase the control of TIPS-based processes and architectures, an investigation of the basic energetic phenomena occurring during phase separation is still required. Here we propose an experimental investigation of the selected ternary system by using isothermal titration calorimetric approach at different solvent/antisolvent ratio and a thermodynamic explanation related to the polymer-solvents interactions in terms of energetic contribution to the phase separation process. Furthermore, relevant information about the phase diagrams and interaction parameters of the studied systems are furnished in terms of liquid-liquid miscibility gap. Indeed, polymer-solvents interactions are responsible for the mechanism of the phase separation process and, therefore, of the final features of the morphologies; the knowledge of such data is fundamental to control processes for the production of membranes, scaffolds and several nanostructures. The behavior of the polymer at different solvent/nonsolvent ratios is discussed in terms of solvation mechanism and a preliminary contribution to the understanding of the role of the hydrogen bonding in the interface phenomena is also reported. It is the first time that thermodynamic data of a ternary system are collected by mean of nano-isothermal titration calorimetry (nano-ITC). Supporting

  16. Interfacial adsorption in ternary alloys

    SciTech Connect

    Huang, C.; Cruz, M.O. de la; Voorhees, P.W.

    1999-11-26

    Interfaces of A-B-C ternary alloys decomposed into two and three phases are studied. The effect of the gradient energy coefficients {bar {kappa}}{sub II}, I = A, B, C, on the interface composition profiles of ternary alloys is examined. The adsorption of component C in ternary alloys is obtained numerically by finding steady-state solutions of the nonlinear Cahn-Hilliard equations and by solving the two Euler-Lagrange equations resulting from minimizing the interfacial energy, and analytically near the critical point. It is found that the solutions from both numerical methods are identical for a two-phase system. In symmetric ternary systems (equal interaction energy between each pair of components) with a minority component C, the gradient energy coefficient of C, {bar {kappa}}{sub CC}, can have a very strong influence on the degree of adsorption. In the {alpha} and {beta} two-phase regions, where {alpha} and {beta} are the phases rich in the majority components A and B, respectively, as {bar {kappa}}{sub CC} increases, the adsorption of the minority component C in the {alpha} and {beta} interfaces decreases. Near a critical point, however, the degree of adsorption of minority component C is independent of the gradient energy coefficient.

  17. In₂S₃/carbon nanofibers/Au ternary synergetic system: hierarchical assembly and enhanced visible-light photocatalytic activity.

    PubMed

    Zhang, Xin; Shao, Changlu; Li, Xinghua; Lu, Na; Wang, Kexin; Miao, Fujun; Liu, Yichun

    2015-01-01

    In this paper, carbon nanofibers (CNFs) were successfully synthesized by electrospinning technique. Next, Au nanoparticles (NPs) were assembled on the electrospun CNFs through in situ reduction method. By using the obtained Au NPs modified CNFs (CNFs/Au) as hard template, the In2S3/CNFs/Au composites were synthesized through hydrothermal technique. The results showed that the super long one-dimensional (1D) CNFs (about 306 nm in average diameter) were well connected to form a nanofibrous network; and, the Au NPs with 18 nm in average diameter and In2S3 nanosheets with 5-10nm in thickness were uniformly grown onto the surface of CNFs. Photocatalytic studies revealed that the In2S3/CNFs/Au composites exhibited highest visible-light photocatalytic activities for the degradation of Rhodamine B (RB) compared with pure In2S3 and In2S3/CNFs. The enhanced photocatalytic activity might arise from the high separation efficiency of photogenerated electron-hole pairs based on the positive synergetic effect between In2S3, CNFs and Au components in this ternary photocatalytic system. Meanwhile, the In2S3/CNFs/Au composites with hierarchical structure possess a strong adsorption ability towards organic dyes, which also contributed to the enhancement of photocatalytic activity. Moreover, the In2S3/CNFs/Au composites could be recycled easily by sedimentation due to their nanofibrous network structure. PMID:25464301

  18. All-optical symmetric ternary logic gate

    NASA Astrophysics Data System (ADS)

    Chattopadhyay, Tanay

    2010-09-01

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

  19. Ternary polyplex micelles with PEG shells and intermediate barrier to complexed DNA cores for efficient systemic gene delivery.

    PubMed

    Li, Junjie; Chen, Qixian; Zha, Zengshi; Li, Hui; Toh, Kazuko; Dirisala, Anjaneyulu; Matsumoto, Yu; Osada, Kensuke; Kataoka, Kazunori; Ge, Zhishen

    2015-07-10

    Simultaneous achievement of prolonged retention in blood circulation and efficient gene transfection activity in target tissues has always been a major challenge hindering in vivo applications of nonviral gene vectors via systemic administration. Herein, we constructed novel rod-shaped ternary polyplex micelles (TPMs) via complexation between the mixed block copolymers of poly(ethylene glycol)-b-poly{N'-[N-(2-aminoethyl)-2-aminoethyl]aspartamide} (PEG-b-PAsp(DET)) and poly(N-isopropylacrylamide)-b-PAsp(DET) (PNIPAM-b-PAsp(DET)) and plasmid DNA (pDNA) at room temperature, exhibiting distinct temperature-responsive formation of a hydrophobic intermediate layer between PEG shells and pDNA cores through facile temperature increase from room temperature to body temperature (~37 °C). As compared with binary polyplex micelles of PEG-b-PAsp(DET) (BPMs), TPMs were confirmed to condense pDNA into a more compact structure, which achieved enhanced tolerability to nuclease digestion and strong counter polyanion exchange. In vitro gene transfection results demonstrated TPMs exhibiting enhanced gene transfection efficiency due to efficient cellular uptake and endosomal escape. Moreover, in vivo performance evaluation after intravenous injection confirmed that TPMs achieved significantly prolonged blood circulation, high tumor accumulation, and promoted gene expression in tumor tissue. Moreover, TPMs loading therapeutic pDNA encoding an anti-angiogenic protein remarkably suppressed tumor growth following intravenous injection into H22 tumor-bearing mice. These results suggest TPMs with PEG shells and facilely engineered intermediate barrier to inner complexed pDNA have great potentials as systemic nonviral gene vectors for cancer gene therapy. PMID:25912408

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

    PubMed

    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

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

    PubMed Central

    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

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

    NASA Astrophysics Data System (ADS)

    Saleh, Gabriele; Oganov, Artem R.

    2016-09-01

    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.

  3. Syntheses and structural characterization of zirconium-tin and zirconium-lead binary and ternary systems

    SciTech Connect

    Kwon, Y.U.

    1991-01-28

    The binary zirconium-tin system was reinvestigated. The A15 phase appears to be a line phase with a Zr{sub 4}Sn composition. The Zr{sub 5}Sn{sub 3} (Mn{sub 5}Si{sub 3}-type) and Zr{sub 5}Sn{sub 4} (Ti{sub 5}Ga{sub 4}-type) compounds are line phases below 1000{degree}C, the latter being a self-interstitial phase of the former. ZrSn{sub 2} is the tin-richest phase. There is an one-phase region between these phases with partial self-interstitials at high temperatures. The zirconium-lead system behaves similarly: there are an A15 phase with a Zr{sub {approximately}5.8}Pb composition, Zr{sub 5}Pb{sub 3} (Mn{sub 5}Si{sub 3}-type) and Zr{sub 5}Pb{sub 4} (Ti{sub 5}Ga{sub 4-type}) compounds, and a high temperature solid solution between Zr{sub 5}Pb{sub >3.5} and Zr{sub 5}Pb{sub 4} from below 1000{degree}C; however, the ZrSn{sub 2} analogue is not formed. The Mn{sub 5}Si{sub 3}-type phases in these systems can accommodate third elements interstitially to form stoichiometric compounds Zr{sub 5}Sn{sub 3}Z (Z = B, C, N, O, Al, Si, P, S, Cu, Zn, Ga, Ge, and As and Se) and Zr{sub 5}Pb{sub 3}Z (Z = Al, Si, P, S, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Ag, Cd, In, Sn, Sb and Te) as well as their self-interstitial derivatives. The systems Zr-Sn-T, T = Fe, Co and Ni, did not produce stoichiometric interstitial phases Zr{sub 5}Sn{sub 3}T. Instead, the interstitial phases for these elements are formed only with excess tin that partially occupies the interstitial site together with a T element. Reducing the amount of tin in these systems yields two new phases; Zr{sub 5}Sn{sub 2+x}Fe{sub 1-x} (0 {le} {times} {le} 0.28) (W{sub 5}Si{sub 3}-type) and Zr{sub 6}Sn{sub 2}Fe (Zr{sub 6}Al{sub 2}Co-type) as characterized by X-ray single crystal analyses. A cobalt analogue for the latter was also synthesized.

  4. Chemical effects in ion mixing of a ternary system (metal-SiO2)

    NASA Technical Reports Server (NTRS)

    Banwell, T.; Nicolet, M.-A.; Sands, T.; Grunthaner, P. J.

    1987-01-01

    The mixing of Ti, Cr, and Ni thin films with SiO2 by low-temperature (- 196-25 C) irradiation with 290 keV Xe has been investigated. Comparison of the morphology of the intermixed region and the dose dependences of net metal transport into SiO2 reveals that long range motion and phase formation probably occur as separate and sequential processes. Kinetic limitations suppress chemical effects in these systems during the initial transport process. Chemical interactions influence the subsequent phase formation.

  5. Comparative study on metal biosorption by two macroalgae in saline waters: single and ternary systems.

    PubMed

    Figueira, Paula; Henriques, Bruno; Teixeira, Ana; Lopes, Cláudia B; Reis, Ana T; Monteiro, Rui J R; Duarte, A C; Pardal, M A; Pereira, E

    2016-06-01

    The biosorption capability of two marine macroalgae (green Ulva lactuca and brown Fucus vesiculosus) was evaluated in the removal of toxic metals (Hg, Cd and Pb) from saline waters, under realistic conditions. Results showed that, independently of the contamination scenario tested, both macroalgae have a remarkable capacity to biosorb Hg and Pb. In single-contaminant systems, by using only c.a. 500 mg of non-pre-treated algae biomass (size <200 μm) per litter, it was possible to achieve removal efficiencies between 96 and 99 % for Hg and up to 86 % for Pb. Despite the higher removal of Hg, equilibrium was reached more quickly for Pb (after 8 h). In multi-contaminant systems, macroalgae exhibited a similar selectivity toward the target metals: Hg > Pb> > Cd, although Pb removal by U. lactuca was more inhibited than that achieved by F. vesiculosus. Under the experimental conditions used, none of the macroalgae was effective to remove Cd (maximum removal of 20 %). In all cases, the kinetics of biosorption was mathematically described with success. Globally, it became clear that the studied macroalgae may be part of simple, efficient, and cost-effective water treatment technologies. Nevertheless, Fucus vesiculosus has greater potential, since it always presented higher initial sorption rates and higher removal efficiencies. PMID:26961530

  6. Dynamical fluctuation of the mesoscopic structure in ternary C12E5-water-n- octane amphiphilic system

    NASA Astrophysics Data System (ADS)

    Komura, Shigehiro; Takeda, Takayoshi; Kawabata, Youhei; Ghosh, Swapan K.; Seto, Hideki; Nagao, Michihiro

    2001-04-01

    Dynamical fluctuations of the bicontinuous microemulsion and lamellar structures in ternary C12E5-water-n-octane amphiphilic system are studied by means of neutron spin echo (NSE) spectrometry. The decay rates of the time correlation of the concentration were analyzed in terms of three theories: (1) A. G. Zilman and R. Granek, Phys. Rev. Lett. 77, 4788 (1996), (2) M. Nonomura and T. Ohta, J. Chem. Phys. 110, 7516 (1999), and (3) R. Granek and M. E. Cates, Phys. Rev. A 46, 3319 (1992), in the first of which a Langevin equation for membrane plaquettes and in the latter two of which time-dependent Ginzburg-Landau equations for the order parameters are considered. The result shows that the intermediate correlation functions I(q,t) for the ranges of 0systems with the relaxation rate Γ increasing as q3 in agreement with theory (1) from which the bending modulus of the membrane κ was estimated. For more restricted ranges of 0system were estimated. The effective viscosity from the nonexponential ηeff is five times greater than that from the simple exponential η0 that is almost the same as the literature value. The implication of this result is discussed in terms of the effective viscosity ηeff that takes into account the renormalization of the bending modulus of the membrane.

  7. Microstructural investigation of uranium rich U-Zr-Nb ternary alloy system

    NASA Astrophysics Data System (ADS)

    Ghoshal, Kaushik; Kaity, Santu; Mishra, Sudhir; Kumar, Arun

    2014-03-01

    Uranium rich U-Zr-Nb alloy system is a potential candidate among the family of alloys considered as metallic fuel for fast reactors application. As a part of the program U-7% Zr, U-5% Zr-2% Nb, U-3.5% Zr-3.5% Nb, U-2% Zr-5% Nb and U-7% Nb (composition in wt.%) alloys were prepared. The total amount of Nb and Zr was restricted, because higher addition of non-fissile alloying element not only reduces the fissile content it also decreases the breeding ratio due to parasitic absorption. The alloys were characterized by SEM micrograph. The phase analysis was performed with the help of XRD and the phase transformation temperatures were determined by DTA. The variation in crystal structure with subsequent replacement of Zr with Nb as an alloying element has been highlighted. The as quenched U-7% Nb alloy shows complete γ° phase at ambient temperature.

  8. Phase behaviour of the ternary system: monoolein-water-branched polyethylenimine.

    PubMed

    Kumar, Manoj; Kumaraswamy, Guruswamy

    2015-07-28

    Addition of a branched polymer, polyethyleneimine, significantly alters the organization of a glycerol monooleate (GMO) lipid-water system. We present detailed data over a wide range of compositions (water content from 10 to 40%, relative to GMO and PEI fractions from 0 to 4%) and temperatures (25-80 °C). The PEI molecular weight effects are examined using polymers over a range from 0.8 to 25 kDa. Addition of PEI induces the formation of higher curvature reverse phases. In particular, PEI induces the formation of the Fd3m phase: a discontinuous phase comprising reverse micelles of two different sizes stacked in a cubic AB2 crystal. The formation of the Fd3m phase at room temperature, upon addition of polar, water soluble PEI is unusual, since such phases typically are formed only upon addition of apolar oils. The largest stability window for the Fd3m phase is observed for PEI with a molecular weight = 2 kDa. We discuss how PEI influences the formation and stability of high curvature phases.

  9. Evaluation of Static Thermophysical Properties of the Ternary Molten Salt System Li, Na and Be/F Based on the Modified Peng-Robinson Equation

    NASA Astrophysics Data System (ADS)

    Zhang, Dalin; Qiu, Suizheng; Su, Guanghui; Jia, Dounan

    The static thermophysical properties of the molten salt system like LiF-NaF-BeF2 influence the design and construction of the fuel salt and coolant in the Molten Salt Reactor for the new generation. In this paper, the equation of state of the ternary system 0.15LiF-0.58NaF-0.27BeF2, over the temperature range from 873.15K to 1073.15K at one atmosphere pressure, is described by using modified Peng-Robinson equation. The density of the ternary system is evaluated by this equation directly, and compared with the experimental data. Base on the equation of state, the other static thermophysical properties such as the enthalpy, entropy and heat capacity at constant pressure are evaluated by the fugacity coefficient and residual function methods respectively. The density calculated by Peng-Robinson equation is in highly agreement with the experimental data, and the enthalpy, entropy and heat capacity evaluated by such two different methods are consistent with each other. It could be concluded that the modified Peng-Robinson equation could be applicable to estimate the density of the molten salt system, and the Peng-Robinson equation is recommended to be as the fundamental to evaluate the enthalpy, entropy and heat capacity of the molten salt system.

  10. Supramolecular aggregates of oligosaccharides with co-solvents in ternary systems for the solubilizing approach of triamcinolone.

    PubMed

    de Medeiros, Arthur S A; Zoppi, Ariana; Barbosa, Euzébio G; Oliveira, Jonas I N; Fernandes-Pedrosa, Matheus F; Longhi, Marcela R; da Silva-Júnior, Arnóbio A

    2016-10-20

    A second compound is generally associated with oligosaccharides as a strategy to maximize the solubilizing effect for nonpolar compounds. This study elucidated the role and the mechanism whereby liquid compounds interact in these supramolecular aggregates in the solubilization of triamcinolone. Three different oligosaccharides (beta-cyclodextrin, 2-hydroxipropil-beta-cyclodextrin, and randomly methylated beta-cyclodextrin) and two potent co-solvents (triethanolamine and N-methyl pyrrolidone) were carefully evaluated by using three distinct experimental approaches. Incredibly stable complexes were formed with cyclodextrins (CDs). The structure of the complexes was elucidated by magnetic resonance spectra 2D-ROESY. The interactions of the protons of ring "A" of the drug with H(3) and H(5) protons of the CD cavity observed in the binary complexes remained in both ternary complexes. Unlike the observed ternary associations with triethanolamine, N-methyl pyrrolidone competed with the triamcinolone CD cavity and considerably decreased the stability of the complex and the solubility of the drug. The molecular dynamics (MD) and quantum mechanics:molecular mechanics (QM:MM) calculations supported that triethanolamine stabilized the drug-CD interactions for the conformer identified in the 2D-ROESY experiments, improving the quality and uniformity of the formed complex. The role played by the co-solvent in the ternary complexes depends on its specific ability to interact with the CD cavity in the presence of the drug, which can be predicted in theoretical studies to select the best candidate. PMID:27474653

  11. A series of new ternary and quaternary compounds in the Li(I)-Ga(III)-Te(IV)-O system.

    PubMed

    Kong, Fang; Xu, Xiang; Mao, Jiang-Gao

    2010-12-20

    Systematic explorations of new compounds in the Li(I)-Ga(III)-Te(IV)-O system led to two new isomeric ternary gallium tellurites, namely, α-Ga(2)(TeO(3))(3) and β-Ga(2)(TeO(3))(3), and two new quaternary lithium gallium tellurites, namely, HLi(2)Ga(3)(TeO(3))(6)(H(2)O)(6) and Li(9)Ga(13)Te(21)O(66). α-Ga(2)(TeO(3))(3) is a noncentrosymmetric structure (I4̅3d) and displays a moderately strong second-harmonic-generation response that is comparable with that of KDP (KH(2)PO(4)). Its structure features a condensed three-dimensional (3D) network alternatively connected by GaO(4) tetrahedra and TeO(3) trigonal pyramids via corner sharing. β-Ga(2)(TeO(3))(3) is centrosymmetric (P6(3)/m) and features a 3D open framework composed of Ga(2)O(9) dimers bridged by TeO(3) groups with one-dimensional (1D) 12-MR channels along the c axis. Although both HLi(2)Ga(3)(TeO(3))(6)(H(2)O)(6) and Li(9)Ga(13)Te(21)O(66) crystallized in the same space group R3̅, they belong to different structure types. The structure of HLi(2)Ga(3)(TeO(3))(6)(H(2)O)(6) can be viewed as the 1D tunnels of the 3D gallium tellurite being occupied by Li(+) and H(+) ions whereas the structure of Li(9)Ga(13)Te(21)O(66) is a complicated 3D framework composed of alternating gallium tellurite layers and GaO(6) octahedral layers with Li(+) cations being located at the cavities of the structure. Optical diffuse-reflectance spectrum measurements indicate that all four compounds are insulators and transparent in the range of 300-2500 nm.

  12. Glass forming in La2O3-TiO2-ZrO2 ternary system by containerless processing

    NASA Astrophysics Data System (ADS)

    Kaneko, Masashi; Kentei Yu, Yu; Kumar, Vijaya; Masuno, Atsunobu; Inoue, Hiroyuki; Odawara, Osamu; Yoda, Shinichi

    The containerless processing is an appropriate method to create new glasses, because it sup-presses nucleation at the boundary between liquid and crucible during solidification and it enables molten samples to be solidified without crystallization. Recently, we have succeeded in forming BaTi2 O5 glass in the bulk state by using an aerodynamic levitation furnace. BaTi2 O5 glass includes no traditional glass network former and it possesses high electric permittivity [1, 2]. From the point of view of optical application, BaTi2 O5 glass has high refractive indices over 2.1. BaTi2 O5 glass, however, vitrify only in a small sphere, and it crystallize when its diameter exceed 1.5 mm. In order to synthesize new titanate oxide glasses which possess higher refractive indices and larger diameter than BaTi2 O5 , La and Zr can be used as substitutive components. When Ba is replaced with La, refractive indices are expected to increase because of the heavier element. The addition of a third element is thought to be effective for enhance-ment of glass formation ability and Zr can be a candidate because Ti and Zr are homologous. In this research, we have succeeded in forming new bulk glass in La2 O3 -TiO2 -ZrO2 ternary system by means of the aerodynamic levitation furnace. We investigated the glass forming region, thermal properties and optical properties of La2 O3 -TiO2 -ZrO2 glass. Glass transition temperature, crystallization temperature, density, refractive indices and transmittance spectra were varied depending on the chemical composition. Reference [1] J. Yu et al, "Fabrication of BaTi2O5 Glass-Ceramics with Unusual Dielectric Properties during Crystallization", Chem-istry of Materials, 18 (2006) 2169-2173. [2] J. Yu et al., "Comprehensive Structural Study of Glassy and Metastable Crystalline BaTi2O5", Chemistry of Materials, 21 (2009) 259-263.

  13. Retention Mechanisms of Citric Acid in Ternary Kaolinite-Fe(III)-Citrate Acid Systems Using Fe K-edge EXAFS and L3,2-edge XANES Spectroscopy

    NASA Astrophysics Data System (ADS)

    Yang, Jianjun; Wang, Jian; Pan, Weinan; Regier, Tom; Hu, Yongfeng; Rumpel, Cornelia; Bolan, Nanthi; Sparks, Donald

    2016-05-01

    Organic carbon (OC) stability in tropical soils is strongly interlinked with multivalent cation interaction and mineral association. Low molecular weight organic acids (LMWOAs) represent the readily biodegradable OC. Therefore, investigating retention mechanisms of LMWOAs in mineral-cation-LMWOAs systems is critical to understanding soil C cycling. Given the general acidic conditions and dominance of kaolinite in tropical soils, we investigated the retention mechanisms of citric acid (CA) in kaolinite-Fe(III)-CA systems with various Fe/CA molar ratios at pH ~3.5 using Fe K-edge EXAFS and L3,2-edge XANES techniques. With Fe/CA molar ratios >2, the formed ferrihydrite mainly contributed to CA retention through adsorption and/or coprecipitation. With Fe/CA molar ratios from 2 to 0.5, ternary complexation of CA to kaolinite via a five-coordinated Fe(III) bridge retained higher CA than ferrihydrite-induced adsorption and/or coprecipitation. With Fe/CA molar ratios ≤0.5, kaolinite-Fe(III)-citrate complexation preferentially occurred, but less CA was retained than via outer-sphere kaolinite-CA complexation. This study highlighted the significant impact of varied Fe/CA molar ratios on CA retention mechanisms in kaolinite-Fe(III)-CA systems under acidic conditions, and clearly showed the important contribution of Fe-bridged ternary complexation on CA retention. These findings will enhance our understanding of the dynamics of CA and other LMWOAs in tropical soils.

  14. Retention Mechanisms of Citric Acid in Ternary Kaolinite-Fe(III)-Citrate Acid Systems Using Fe K-edge EXAFS and L3,2-edge XANES Spectroscopy

    PubMed Central

    Yang, Jianjun; Wang, Jian; Pan, Weinan; Regier, Tom; Hu, Yongfeng; Rumpel, Cornelia; Bolan, Nanthi; Sparks, Donald

    2016-01-01

    Organic carbon (OC) stability in tropical soils is strongly interlinked with multivalent cation interaction and mineral association. Low molecular weight organic acids (LMWOAs) represent the readily biodegradable OC. Therefore, investigating retention mechanisms of LMWOAs in mineral-cation-LMWOAs systems is critical to understanding soil C cycling. Given the general acidic conditions and dominance of kaolinite in tropical soils, we investigated the retention mechanisms of citric acid (CA) in kaolinite-Fe(III)-CA systems with various Fe/CA molar ratios at pH ~3.5 using Fe K-edge EXAFS and L3,2-edge XANES techniques. With Fe/CA molar ratios >2, the formed ferrihydrite mainly contributed to CA retention through adsorption and/or coprecipitation. With Fe/CA molar ratios from 2 to 0.5, ternary complexation of CA to kaolinite via a five-coordinated Fe(III) bridge retained higher CA than ferrihydrite-induced adsorption and/or coprecipitation. With Fe/CA molar ratios ≤0.5, kaolinite-Fe(III)-citrate complexation preferentially occurred, but less CA was retained than via outer-sphere kaolinite-CA complexation. This study highlighted the significant impact of varied Fe/CA molar ratios on CA retention mechanisms in kaolinite-Fe(III)-CA systems under acidic conditions, and clearly showed the important contribution of Fe-bridged ternary complexation on CA retention. These findings will enhance our understanding of the dynamics of CA and other LMWOAs in tropical soils. PMID:27212680

  15. Carbon dioxide induced bubble formation in a CH4-CO2-H2O ternary system: a molecular dynamics simulation study.

    PubMed

    Sujith, K S; Ramachandran, C N

    2016-02-01

    The extraction of methane from its hydrates using carbon dioxide involves the decomposition of the hydrate resulting in a CH4-CO2-H2O ternary solution. Using classical molecular dynamics simulations, we investigate the evolution of dissolved gas molecules in the ternary system at different concentrations of CO2. Various compositions considered in the present study resemble the solution formed during the decomposition of methane hydrates at the initial stages of the extraction process. We find that the presence of CO2 aids the formation of CH4 bubbles by causing its early nucleation. Elucidation of the composition of the bubble revealed that in ternary solutions with high concentration of CO2, mixed gas bubbles composed of CO2 and CH4 are formed. To understand the role of CO2 in the nucleation of CH4 bubbles, the structure of the bubble formed was analyzed, which revealed that there is an accumulation of CO2 at the interface of the bubble and the surrounding water. The aggregation of CO2 at the bubble-water interface occurs predominantly when the concentration of CO2 is high. Radial distribution function for the CH4-CO2 pair indicates that there is an increasingly favorable direct contact between dissolved CH4 and CO2 molecules in the bubble-water interface. It is also observed that the presence of CO2 at the interface results in the decrease in surface tension. Thus, CO2 leads to greater stability of the bubble-water interface thereby bringing down the critical size of the bubble nuclei. The results suggest that a rise in concentration of CO2 helps in the removal of dissolved CH4 thereby preventing the accumulation of methane in the liquid phase. Thus, the presence of CO2 is predicted to assist the decomposition of methane hydrates in the initial stages of the replacement process.

  16. Carbon dioxide induced bubble formation in a CH4-CO2-H2O ternary system: a molecular dynamics simulation study.

    PubMed

    Sujith, K S; Ramachandran, C N

    2016-02-01

    The extraction of methane from its hydrates using carbon dioxide involves the decomposition of the hydrate resulting in a CH4-CO2-H2O ternary solution. Using classical molecular dynamics simulations, we investigate the evolution of dissolved gas molecules in the ternary system at different concentrations of CO2. Various compositions considered in the present study resemble the solution formed during the decomposition of methane hydrates at the initial stages of the extraction process. We find that the presence of CO2 aids the formation of CH4 bubbles by causing its early nucleation. Elucidation of the composition of the bubble revealed that in ternary solutions with high concentration of CO2, mixed gas bubbles composed of CO2 and CH4 are formed. To understand the role of CO2 in the nucleation of CH4 bubbles, the structure of the bubble formed was analyzed, which revealed that there is an accumulation of CO2 at the interface of the bubble and the surrounding water. The aggregation of CO2 at the bubble-water interface occurs predominantly when the concentration of CO2 is high. Radial distribution function for the CH4-CO2 pair indicates that there is an increasingly favorable direct contact between dissolved CH4 and CO2 molecules in the bubble-water interface. It is also observed that the presence of CO2 at the interface results in the decrease in surface tension. Thus, CO2 leads to greater stability of the bubble-water interface thereby bringing down the critical size of the bubble nuclei. The results suggest that a rise in concentration of CO2 helps in the removal of dissolved CH4 thereby preventing the accumulation of methane in the liquid phase. Thus, the presence of CO2 is predicted to assist the decomposition of methane hydrates in the initial stages of the replacement process. PMID:26762545

  17. IUPAC-NIST Solubility Data Series. 90. Hydroxybenzoic Acid Derivatives in Binary, Ternary, and Multicomponent Systems. Part I. Hydroxybenzoic Acids, Hydroxybenzoates, and Hydroxybenzoic Acid Salts in Water and Aqueous Systems

    NASA Astrophysics Data System (ADS)

    Goto, Rensuke; Fukuda, Hiroshi; Königsberger, Erich; Königsberger, Lan-Chi

    2011-03-01

    The solubility data for well-defined binary, ternary, and multicomponent systems of solid-liquid type are reviewed. One component, which is 2-, 3-, and 4-hydroxybenzoic acids, 4-hydroxybenzoate alkyl esters (parabens), or hydroxybenzoic acid salts, is in the solid state at room temperature and another component is liquid water, meaning that all of the systems are aqueous solutions. The ternary or multicomponent systems include organic substances of various classes (hydrocarbons of several structural types, halogenated hydrocarbons, alcohols, acids, ethers, esters, amides, and surfactants) or inorganic substances. Systems reported in the primary literature from 1898 through 2000 are compiled. For seven systems, sufficient binary data for hydroxybenzoic acids or parabens in water are available to allow critical evaluation. Almost all data are expressed as mass and mole fractions as well as the originally reported units, while some data are expressed as molar concentration.

  18. Composition Optimization of Al-DOPING Lithium Manganese Oxide from Al2O3-Li2CO3-MnO2 Ternary System

    NASA Astrophysics Data System (ADS)

    He, Gang; Sun, Xinyan; Hong, Jianhe; He, Mingzhong

    2013-07-01

    In order to synthesize eutectic compound of Al doping lithium manganese oxide which can be used as cathode material in lithium battery, using γ-Al2O3, Li2CO3 and MnO2 as starting raw materials, the composition optimization research work has been done by the solid state synthesis method. A limited composition range was found in Al2O3-Li2CO3-MnO2 ternary system, in which the synthesized Al doping lithium manganese oxides have single spinel structure and good electrochemical performance. The results showed that the LiAl0.04Mn1.96O4 material presented better charge-discharge cycling behavior than pure LiMn2O4, and showed the best electrochemistry property among the compounds in the Al2O3-Li2O-Mn2O3 ternary system. LiAl0.04Mn1.96O4 still kept perfect cubic structure, but LiMn2O4 kept the coexistence of the cubic and tetragonal phases after 50 charge-discharge cycles.

  19. Fabrication of porous ethyl cellulose microspheres based on the acetone-glycerin-water ternary system: Controlling porosity via the solvent-removal mode.

    PubMed

    Murakami, Masahiro; Matsumoto, Akihiro; Watanabe, Chie; Kurumado, Yu; Takama, Masashi

    2015-08-01

    Porous ethyl cellulose (EC) microspheres were prepared from the acetone-glycerin-water ternary system using an oil/water (O/W)-type emulsion solvent extraction method. The O/ W type emulsion was prepared using acetone dissolved ethyl cellulose as an oil phase and aqueous glycerin as a water phase. The effects of the different solvent extraction modes on the porosity of the microspheres were investigated. The specific surface area of the porous EC microspheres was estimated by the gas adsorption method. When the solvent was extracted rapidly by mixing the emulsion with water instantaneously, porous EC microspheres with a maximum specific surface area of 40.7±2.1 m2/g were obtained. On the other hand, when water was added gradually to the emulsion, the specific surface area of the fabricated microspheres decreased rapidly with an increase in the infusion period, with the area being 25-45% of the maximum value. The results of an analysis of the ternary phase diagram of the system suggested that the penetration of water and glycerin from the continuous phase to the dispersed phase before solidification affected the porosity of the fabricated EC microspheres.

  20. Systems Ln-Fe-O ( Ln=Eu, Gd): thermodynamic properties of ternary oxides using solid-state electrochemical cells

    NASA Astrophysics Data System (ADS)

    Parida, S. C.; Rakshit, S. K.; Dash, S.; Singh, Ziley; Prasad, R.; Venugopal, V.

    2003-05-01

    The standard molar Gibbs energies of formation of LnFeO 3(s) and Ln3Fe 5O 12(s) where Ln=Eu and Gd have been determined using solid-state electrochemical technique employing different solid electrolytes. The reversible e.m.f.s of the following solid-state electrochemical cells have been measured in the temperature range from 1050 to 1255 K. Cell (I): (-)Pt / { LnFeO 3(s)+ Ln2O 3(s)+Fe(s)} // YDT/CSZ // {Fe(s)+Fe 0.95O(s)} / Pt(+); Cell (II): (-)Pt/{Fe(s)+Fe 0.95O(s)}//CSZ//{ LnFeO 3(s)+ Ln3Fe 5O 12(s)+Fe 3O 4(s)}/Pt(+); Cell (III): (-)Pt/{ LnFeO 3(s)+ Ln3Fe 5O 12(s)+Fe 3O 4(s)}//YSZ//{Ni(s)+NiO(s)}/Pt(+); and Cell(IV):(-)Pt/{Fe(s)+Fe 0.95O(s)}//YDT/CSZ//{ LnFeO 3(s)+ Ln3Fe 5O 12(s)+Fe 3O 4(s)}/Pt(+). The oxygen chemical potentials corresponding to the three-phase equilibria involving the ternary oxides have been computed from the e.m.f. data. The standard Gibbs energies of formation of solid EuFeO 3, Eu 3Fe 5O 12, GdFeO 3 and Gd 3Fe 5O 12 calculated by the least-squares regression analysis of the data obtained in the present study are given by Δ fG°m(EuFeO 3, s) /kJ mol -1 (± 3.2)=-1265.5+0.2687( T/K) (1050 ⩽ T/K ⩽ 1570), Δ fG°m(Eu 3Fe 5O 12, s)/kJ mol -1 (± 3.5)=-4626.2+1.0474( T/K) (1050 ⩽ T/K ⩽ 1255), Δ fG°m(GdFeO 3, s) /kJ mol -1 (± 3.2)=-1342.5+0.2539( T/K) (1050 ⩽ T/K ⩽ 1570), and Δ fG°m(Gd 3Fe 5O 12, s)/kJ·mol -1 (± 3.5)=-4856.0+1.0021( T/K) (1050 ⩽ T/K ⩽ 1255). The uncertainty estimates for Δ fG°m include the standard deviation in the e.m.f. and uncertainty in the data taken from the literature. Based on the thermodynamic information, oxygen potential diagrams for the systems Eu-Fe-O and Gd-Fe-O and chemical potential diagrams for the system Gd-Fe-O were computed at 1250 K.

  1. True ternary fission

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

    The study of the ternary fission of nuclei has received new interest recently. It is of general interest for nuclear dynamics, although the process is very rare. In the present work, we discuss the possibilities of true ternary fission (fragment masses A >30 ) in 252Cf for different mass splits. These mass splits are strongly favored in a collinear geometry. Based on the three cluster model (TCM), it is shown that the true ternary fission into fragments with almost equal masses is one of the possible fission modes in 252Cf . For general decays it is shown that the formation of the lightest fragment at the center has the highest probability. Further the formation of tin isotopes and/or other closed shell fragments are favored. For the decay products the presence of closed shell nuclei among the three fragments enhances the decay probabilities.

  2. Designing and Validating Ternary Pd Alloys for Optimum Sulfur/Carbon Resistance in Hydrogen Separation and Carbon Capture Membrane Systems Using High-Throughput Combinatorial Methods

    SciTech Connect

    Lewis, Amanda; Zhao, Hongbin; Hopkins, Scott

    2014-09-30

    This report summarizes the work completed under the U.S. Department of Energy Project Award No.: DE-FE0001181 titled “Designing and Validating Ternary Pd Alloys for Optimum Sulfur/Carbon Resistance in Hydrogen Separation and Carbon Capture Membrane Systems Using High-Throughput Combinatorial Methods.” The project started in October 1, 2009 and was finished September 30, 2014. Pall Corporation worked with Cornell University to sputter and test palladium-based ternary alloys onto silicon wafers to examine many alloys at once. With the specialized equipment at Georgia Institute of Technology that analyzed the wafers for adsorbed carbon and sulfur species six compositions were identified to have resistance to carbon and sulfur species. These compositions were deposited on Pall AccuSep® supports by Colorado School of Mines and then tested in simulated synthetic coal gas at the Pall Corporation. Two of the six alloys were chosen for further investigations based on their performance. Alloy reproducibility and long-term testing of PdAuAg and PdZrAu provided insight to the ability to manufacture these compositions for testing. PdAuAg is the most promising alloy found in this work based on the fabrication reproducibility and resistance to carbon and sulfur. Although PdZrAu had great initial resistance to carbon and sulfur species, the alloy composition has a very narrow range that hindered testing reproducibility.

  3. Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations

    SciTech Connect

    Smetana, Volodymyr; Miller, Gordon J.; Corbett, John D.

    2012-06-27

    Six new intermetallic compounds have been characterized in the alkali metal (A = Na, Rb, Cs)–gold–gallium systems. Three isostructural compounds with the general composition A0.55Au2Ga2, two others of AAu3Ga2 (A = Rb, Cs), and the related Na13Au41.2Ga30.3 were synthesized via typical high-temperature reactions and their crystal structures determined by single-crystal X-ray diffraction analysis: Na0.56(9)Au2Ga2 (I, I4/mcm, a = 8.718(1) Å, c = 4.857(1) Å, Z = 4), Rb0.56(1)Au2Ga2 (II, I4/mcm, a = 8.950(1) Å, c = 4.829(1) Å, Z = 4), Cs0.54(2)Au2Ga2 (III, I4/mcm, a = 9.077(1) Å, c = 4.815(1) Å, Z = 4), RbAu3Ga2 (IV, Pnma, a = 13.384(3) Å, b = 5.577(1) Å, c = 7.017(1) Å, Z = 4), CsAu3Ga2 (V, Pnma, a = 13.511(3) Å, b = 5.614(2) Å, c = 7.146(1) Å, Z = 4), Na13Au41.2(1)Ga30.3(1) (VI, P6 mmm, a = 19.550(3) Å, c = 8.990(2) Å, Z = 2). The first three compounds (I–III) are isostructural with tetragonal K0.55Au2Ga2 and likewise contain planar eight-member Au/Ga rings that stack along c to generate tunnels and that contain varying degrees of disordered Na–Cs cations. The cation dispositions are much more clearly and reasonably defined by electron density mapping than through least-squares refinements with conventional anisotropic ellipsoids. Orthorhombic AAu3Ga2 (IV, V) are ordered ternary Rb and Cs derivatives of the SrZn5 type structure, demonstrating structural variability within the AAu3Ga2 family. All attempts to prepare an isotypic “NaAu3Ga2” were not successful, but yielded only a similar composition Na13Au41.2Ga30.3 (NaAu3.17Ga2.33) (VI) in a very different structure with two types of cation sites. Crystal orbital Hamilton population (COHP) analysis obtained from tight-binding electronic structure calculations for idealized I–IV via linear muffin-tin-orbital (LMTO) methods emphasized the major contributions of heteroatomic Au–Ga bonding to the structural stability of these compounds. The relative minima (pseudogaps) in the DOS curves for IV

  4. A tunable amorphous p-type ternary oxide system: The highly mismatched alloy of copper tin oxide

    SciTech Connect

    Isherwood, Patrick J. M. Walls, John M.; Butler, Keith T.; Walsh, Aron

    2015-09-14

    The approach of combining two mismatched materials to form an amorphous alloy was used to synthesise ternary oxides of CuO and SnO{sub 2}. These materials were analysed across a range of compositions, and the electronic structure was modelled using density functional theory. In contrast to the gradual reduction in optical band gap, the films show a sharp reduction in both transparency and electrical resistivity with copper contents greater than 50%. Simulations indicate that this change is caused by a transition from a dominant Sn 5s to Cu 3d contribution to the upper valence band. A corresponding decrease in energetic disorder results in increased charge percolation pathways: a “compositional mobility edge.” Contributions from Cu(II) sub band-gap states are responsible for the reduction in optical transparency.

  5. A tunable amorphous p-type ternary oxide system: The highly mismatched alloy of copper tin oxide

    NASA Astrophysics Data System (ADS)

    Isherwood, Patrick J. M.; Butler, Keith T.; Walsh, Aron; Walls, John M.

    2015-09-01

    The approach of combining two mismatched materials to form an amorphous alloy was used to synthesise ternary oxides of CuO and SnO2. These materials were analysed across a range of compositions, and the electronic structure was modelled using density functional theory. In contrast to the gradual reduction in optical band gap, the films show a sharp reduction in both transparency and electrical resistivity with copper contents greater than 50%. Simulations indicate that this change is caused by a transition from a dominant Sn 5s to Cu 3d contribution to the upper valence band. A corresponding decrease in energetic disorder results in increased charge percolation pathways: a "compositional mobility edge." Contributions from Cu(II) sub band-gap states are responsible for the reduction in optical transparency.

  6. Retention mechanisms of citric acid in ternary kaolinite-Fe(III)-citrate acid systems using Fe K-edge EXAFS and L3,2-edge XANES spectroscopy

    DOE PAGES

    Yang, Jianjun; Wang, Jian; Pan, Weinan; Regier, Tom; Hu, Yongfeng; Rumpel, Cornelia; Bolan, Nanthi; Sparks, Donald

    2016-05-23

    Organic carbon (OC) stability in tropical soils is strongly interlinked with multivalent cation interaction and mineral association. Low molecular weight organic acids (LMWOAs) represent the readily biodegradable OC. Therefore, investigating retention mechanisms of LMWOAs in mineral-cation-LMWOAs systems is critical to understanding soil C cycling. Given the general acidic conditions and dominance of kaolinite in tropical soils, we investigated the retention mechanisms of citric acid (CA) in kaolinite-Fe(III)-CA systems with various Fe/CA molar ratios at pH ~3.5 using Fe K-edge EXAFS and L-3,2-edge XANES techniques. With Fe/CA molar ratios >2, the formed ferrihydrite mainly contributed to CA retention through adsorption and/ormore » coprecipitation. With Fe/CA molar ratios from 2 to 0.5, ternary complexation of CA to kaolinite via a five-coordinated Fe(III) bridge retained higher CA than ferrihydrite-induced adsorption and/or coprecipitation. With Fe/CA molar ratios ≤ 0.5, kaolinite-Fe(III)-citrate complexation preferentially occurred, but less CA was retained than via outer-sphere kaolinite-CA complexation. This study highlighted the significant impact of varied Fe/CA molar ratios on CA retention mechanisms in kaolinite-Fe(III)-CA systems under acidic conditions, and clearly showed the important contribution of Fe-bridged ternary complexation on CA retention. In conclusion, these findings will enhance our understanding of the dynamics of CA and other LMWOAs in tropical soils.« less

  7. Solubility relations in the ternary system NaCl-CsCl-H2O at 1 atm. 1. Solubilities of halite from 20 to 100 °C

    USGS Publications Warehouse

    Chou, I.-Ming; Lee, R.D.

    1983-01-01

    Solubilities of halite in the ternary system NaCl-CsCl-H2O have been determined by the visual polythermal method at 1 atm from 20 to 100??C along five constant CsCl/(CsCl + H2O) weight ratio lines. These five constant weight ratios are 0.1, 0.2, 0.3, 0.4, and 0.5. The maximum uncertainties in these measurements are ??0.02 wt % NaCl and ??0.15??C. The data along each constant CsCl/(CsCl + H2O) weight ratio line were regressed to a smooth curve. The maximum deviation of the measured solubilities from the smooth curves is 0.06 wt % NaCl. Isothermal solubilities of halite were calculated from smoothed curves at 25, 50, and 75??C.

  8. Ternary liquid-liquid equilibria of dimethyl carbonate + 2-propanol + water system at 303.15 and 313.15 K

    NASA Astrophysics Data System (ADS)

    Ginting, Rizqy Romadhona; Mustain, Asalil; Tetrisyanda, Rizki; Gunardi, Ignatius; Wibawa, Gede

    2015-12-01

    In this work, liquid-liquid equilibria data of dimethyl carbonate (DMC) + 2-propanol + water system were accurately determined at 303.15 and 313.15 K using stirred and jacketed equilibrium cell under atmospheric pressure. The reliabilities of the experimental data were confirmed using Bachman-Brown correlation giving r-squared value of 0.9993 and 0.9983 at 303.15 and 313.15 K, respectively. Experimental data obtained in this work exhibit Treybal's Type I ternary phase behavior. The selectivity and distribution coefficient of DMC increases with addition of DMC concentration in the organic phase. On the other hand, the effect of temperature to phase boundary was found to be not significant. The data were correlated well using the Non-Random Two Liquid (NRTL) and Universal Quasi-Chemical (UNIQUAC) activity coefficient models with root-mean-square deviation of 1.5% and 1.3%, respectively.

  9. An attempt to stabilize tanshinone IIA solid dispersion by the use of ternary systems with nano-CaCO3 and poloxamer 188

    PubMed Central

    Yan, Hong-mei; Zhang, Zhen-hai; Jiang, Yan-rong; Ding, Dong-mei; Sun, E.; Jia, Xiao-bin

    2014-01-01

    Background: Tanshinone IIA (TSIIA) on solid dispersions (SDs) has thermodynamical instability of amorphous drug. Ternary solid dispersions (tSDs) can extend the stability of the amorphous form of drug. Poloxamer 188 was used as a SD carrier. Nano-CaCO3 played an important role in adsorption of biomolecules and is being developed for a host of biotechnological applications. Objective: The aim of the present study was to investigate the dissolution behavior and accelerated stability of TSIIA on solid dispersions (SDs) by the use of ternary systems with nano-CaCO3 and poloxamer 188. Materials and Methods: The TSIIA tSDs were prepared by a spray-drying method. First, the effect of combination of poloxamer 188 and nano-CaCO3 on TSIIA dissolution was studied. Subsequently, a set of complementary techniques (DSC, XRPD, SEM and FTIR) was used to monitor the physical changes of TSIIA in the SDs. Finally, stability test was carried out under the conditions 40°C/75% RH for 6 months. Results: The characterization of tSDs by differential scanning calorimetry analysis (DSC) and X-ray powder diffraction (XRPD) showed that TSIIA was present in its amorphous form. Fourier transforms infrared spectroscopy (FTIR) suggested the presence of interactions between TSIIA and carriers in tSDs. Improvement in the dissolution rate was observed for all SDs. The stability study conducted on SDs with nano-CaCO3 showed stable drug content and dissolution behavior, over the period of 6 months as compared with freshly prepared SDs. Conclusion: SDs preparation with nano-CaCO3 and poloxamer 188 may be a promising approach to enhance the dissolution and stability of TSIIA. PMID:24991109

  10. Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases

    NASA Astrophysics Data System (ADS)

    Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A. P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.

    2016-11-01

    The phase relations within the U-Al-Ge ternary system were studied for two isothermal sections, at 673 K for the whole Gibbs triangle and at 1173 K for the concentration range 25-100 at% U. The identification of the phases, their composition ranges and stability were determined by x-ray powder diffraction, scanning electron microscopy coupled to energy dispersive spectroscopy and differential thermal analysis. The tie-lines and the solubility domains were determined for the U-Ge and U-Al binaries, the UAl3-UGe3 solid-solution and for the unique ternary intermediate phase U3Al2-xGe3+x. The experimental isopleth section of the pseudo-binary UAl3-UGe3 reveals an isomorphous solid solution based on the Cu3Au-type below the solidus. The U3Al2-xGe3+x solid solution extends for -0.1≤x≤1.35 and -0.2≤x≤1.5 at 673 K and 1173 K respectively. It crystallizes in the I-centered tetragonal symmetry. The reciprocal lattice of several compositions of the U3Al2-xGe3+x solid solution was examined by electron diffraction at room temperature, revealing the presence of a c-glide plane. Their crystal structure was refined by single crystal x-ray diffraction suggesting an isomorphous solid solution best described with the non-centrosymmetric space group I4cm in the paramagnetic domain. The magnetic measurements confirm the ferromagnetic ordering of the solid solution U3Al2-xGe3+x with an increase of Tc with the Al content. The thermal variation of the specific heat bear out the magnetic transitions with some delocalized character of the uranium 5f electrons.

  11. Surface activity at the planar interface in relation to the thermodynamics of intermolecular interactions in the ternary system: maltodextrin-small-molecule surfactant-legumin.

    PubMed

    Myasoedova, M S.; Semenova, M G.; Belyakova, L E.; Antipova, A S.

    2001-07-01

    We report on the effect of potato maltodextrins with variable dextrose equivalent (Paselli SA-2, SA-6 and SA-10) on the surface behavior at the air-water interface of the mixture: legumin+small-molecule surfactant. Distinct in nature small-molecule surfactants (model: sodium salt of capric acid, Na-caprate; and commercially important: a citric acid ester of monoglyceride, CITREM) have been under our consideration. The role of the structure of both of the maltodextrins and the small-molecule surfactants in the effect studied has been elucidated by measurements in a bulk aqueous medium of the enthalpy of their interaction from mixing calorimetry, value of weight average molecular weight of the maltodextrins and the thermodynamics of the pair maltodextrin-solvent and maltodextrin-protein interactions from laser static light scattering. The combined data of mixing calorimetry and light scattering suggest some complex formation between the small-molecule surfactants and the maltodextrins. Predominantly hydrophobic interactions along with hydrogen bonding form the basis of the complexes. The effect of the maltodextrins on the thermodynamics of the protein heat denaturation and thereby on the protein conformational stability in the presence of the small-molecule surfactants has been studied by differential scanning calorimetry. The interrelation between the thermodynamics of intermolecular interactions in a bulk and the surface behavior at the planar air-water interface of the ternary systems (maltodextrin+legumin+small-molecule surfactant) has been elucidated by tensiometry. The effect of the maltodextrins on the surface activity of mixtures of legumin with the small-molecule surfactants is governed by the competitive in relation to the protein interactions with the small-molecule surfactants and a subsequent change in the thermodynamic properties of the both biopolymers, which are favorable to the ternary complex formation.

  12. Systems R-Fe-O ( R=Ho, Er): Thermodynamic properties of ternary oxides using differential scanning calorimetry and solid-state electrochemical cells

    NASA Astrophysics Data System (ADS)

    Parida, S. C.; Rakshit, S. K.; Dash, S.; Singh, Ziley; Sen, B. K.; Venugopal, V.

    2006-07-01

    The thermodynamic properties of three different types of ternary oxides RFeO 3(s), R3Fe 5O 12(s) and RFe 2O 4(s) (where R=Ho and Er) have been determined by calorimetric and solid-state galvanic cell methods. Heat capacities of RFeO 3(s) and R3Fe 5O 12(s) have been determined by differential scanning calorimetry from 130 to 860 K. Heat capacity measurements from 130 to 860 K revealed λ-type anomalies for RFeO 3(s) and R3Fe 5O 12(s) compounds which are assigned due to magnetic order-disorder transitions. The oxygen chemical potentials corresponding to the three-phase equilibria involving these ternary oxides have been determined by using solid-state electrochemical cells. The standard molar Gibbs energies of formation of RFeO 3(s), R3Fe 5O 12(s) and RFe 2O 4(s) have been computed from the oxygen potential data. Based on the thermodynamic information, oxygen potential diagrams have been computed for the systems R-Fe-O ( R=Ho and Er) at two different temperatures: T=1250 and 1450 K. Thermodynamic functions like Cp,mo, Smo, Ho, Go, (HTo-H0o), (HTo-H298.15 Ko), -(GTo-H298.15 Ko)/T, ΔHmo, and ΔGmo have been generated for the compounds RFeO 3(s) and R3Fe 5O 12(s) based on the experimental data obtained in this study and the available data in the literature.

  13. Clusterization in Ternary Fission

    NASA Astrophysics Data System (ADS)

    Kamanin, D. V.; Pyatkov, Y. V.

    This lecture notes are devoted to the new kind of ternary decay of low excited heavy nuclei called by us "collinear cluster tri-partition" (CCT) due to the features of the effect observed, namely, decay partners fly away almost collinearly and at least one of them has magic nucleon composition. At the early stage of our work the process of "true ternary fission" (fission of the nucleus into three fragments of comparable masses) was considered to be undiscovered for low excited heavy nuclei. Another possible prototype—three body cluster radioactivity—was also unknown. The most close to the CCT phenomenon, at least cinematically, stands so called "polar emission", but only very light ions (up to isotopes of Be) were observed so far.

  14. Ternary drop collisions

    NASA Astrophysics Data System (ADS)

    Hinterbichler, Hannes; Planchette, Carole; Brenn, Günter

    2015-10-01

    It has been recently proposed to use drop collisions for producing advanced particles or well-defined capsules, or to perform chemical reactions where the merged drops constitute a micro-reactor. For all these promising applications, it is essential to determine whether the merged drops remain stable after the collision, forming a single entity, or if they break up. This topic, widely investigated for binary drop collisions of miscible and immiscible liquid, is quite unexplored for ternary drop collisions. The current study aims to close this gap by experimentally investigating collisions between three equal-sized drops of the same liquid arranged centri-symmetrically. Three drop generators are simultaneously operated to obtain controlled ternary drop collisions. The collision outcomes are observed via photographs and compared to those of binary collisions. Similar to binary collisions, a regime map is built, showing coalescence and bouncing as well as reflexive and stretching separation. Significant differences are observed in the transitions between these regimes.

  15. NMR and FTIR Characterization of Sol-Gel Derived Ternary Oxide Glasses in the System BaO-TIO2-SiO2

    NASA Astrophysics Data System (ADS)

    Feike, M.; Meise-Gresch, K.; Chen, Qi; Frischat, G. H.

    1995-09-01

    The annealing history of glasses in the system (20-40) BaO-40TiO2(40-20)SiO2 has been mon­itored by 29Si MAS NMR and FTIR spectroscopy from the dried gel to the final glassy state. Assignment of chemical shifts to specific building units has been facilitated by comparative studies of the limiting less complex binary silicate systems. From the NMR spectra at various compositions appreciable condensation to a three-dimensional network is inferred already at low drying temper­atures. Processes like the pyrolysis of acetate rests of the starting materials and modification of the silicate structure due to Ba2+ cations have been mirrored in the spectra of both methods for samples annealed at intermediate temperatures. The microstructure of the final gel glass of the ternary system has been determined spectroscopically to consist of silicate and titanate species typical of crystalline fresnoite, whereas remaining amounts of TiO2 and SiO2 develop a separate network each. Only small amounts of Si-O-Ti linkages have been recognized in the vibrational absorptions; they vanish at higher annealing stages.

  16. Embedding DNA in surfactant mesophases: the phase diagram of the ternary system dodecyltrimethylammonium-DNA/monoolein/water in comparison to the DNA-free analogue.

    PubMed

    Bilalov, Azat; Elsing, Jonas; Haas, Eva; Schmidt, Claudia; Olsson, Ulf

    2013-03-15

    The self-assembly of a true ternary mixture comprising an electroneutral complex of DNA anions and surfactant cations (dodecyltrimethylammonium cations, DTA), water, and nonionic surfactant (monoolein, MO) has been studied. The phase diagrams of two systems, DTA-DNA/MO/water and, for comparison, dodecyltrimethylammonium bromide (DTAB)/MO/water, were obtained by visual inspection, microscopic examination under polarized light, small-angle X-ray scattering (SAXS) and deuterium NMR ((2)H NMR) at 298 K and normal pressure. The isothermal phase diagram of the DTA-DNA/MO/water system contains four liquid crystalline (LC) phase regions (reversed hexagonal, Pn3m, Ia3d, lamellar). The supramolecular assemblies evolve from a bicontinuous cubic structure of the reversed type to the two-dimensional hexagonal phase as the content of DTA-DNA is increased. While DTA-DNA tends to form a reversed hexagonal phase, DTAB is incorporated into the existing lamellar phase formed by MO and water giving rise to swelling and to significant extension of the lamellar phase region. There is only a small tendency of the cubic phases existing in the binary system MO/water to accommodate DTAB or DTA-DNA.

  17. Designing thin film materials — Ternary borides from first principles

    PubMed Central

    Euchner, H.; Mayrhofer, P.H.

    2015-01-01

    Exploiting the mechanisms responsible for the exceptional properties of aluminum based nitride coatings, we apply ab initio calculations to develop a recipe for designing functional thin film materials based on ternary diborides. The combination of binary diborides, preferring different structure types, results in supersaturated metastable ternary systems with potential for phase transformation induced effects. For the exemplary cases of MxW1 − xB2 (with M = Al, Ti, V) we show by detailed ab initio calculations that the respective ternary solid solutions are likely to be experimentally accessible by modern depositions techniques. PMID:26082562

  18. Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend

    SciTech Connect

    Costa, Luciano T.

    2015-07-14

    This paper presents atomistic molecular dynamics simulation studies of lithium bis(trifluoromethane)sulfonylimide (LiTFSI) in a blend of 1-ethyl-3-methylimidazolium (EMIm)-TFSI and poly(ethylene oxide) (PEO), which is a promising electrolyte material for Li- and Li-ion batteries. Simulations of 100 ns were performed for temperatures between 303 K and 423 K, for a Li:ether oxygen ratio of 1:16, and for PEO chains with 26 EO repeating units. Li{sup +} coordination and transportation were studied in the ternary electrolyte system, i.e., PEO{sub 16}LiTFSI⋅1.0 EMImTFSI, by applying three different force field models and are here compared to relevant simulation and experimental data. The force fields generated significantly different results, where a scaled charge model displayed the most reasonable comparisons with previous work and overall consistency. It is generally seen that the Li cations are primarily coordinated to polymer chains and less coupled to TFSI anion. The addition of EMImTFSI in the electrolyte system enhances Li diffusion, associated to the enhanced TFSI dynamics observed when increasing the overall TFSI anion concentration in the polymer matrix.

  19. Competitive adsorption of Cd(II), Zn(II) and Ni(II) from their binary and ternary acidic systems using tourmaline.

    PubMed

    Liu, Haibin; Wang, Cuiping; Liu, Jingting; Wang, Baolin; Sun, Hongwen

    2013-10-15

    The adsorption of Cd(II), Zn(II) and Ni(II) from aqueous solutions in binary and ternary component systems by tourmaline was investigated. Kinetic data were accurately fitted to pseudo-second order and internal diffusion models, which indicated that the adsorption of heavy metals occurred on the interior surface of the sorbent and internal diffusion was the controlling mechanism during heavy metal ion adsorption but was not the only rate-controlling step. Additionally, tourmaline had a very good adsorption capacity for Cd(II), Zn(II) and Ni(II) in multi-component aqueous solutions at strongly acidic pH values (in contrast to industrial wastewater pH values). This good adsorption capacity is attributed to the fact that tourmaline can automatically adjust the pH values of acidic (except pH 2.0 and 3.0), neutral or alkaline aqueous solutions to 6.0. Adsorption isotherms and separation factors showed that tourmaline displays a high selectivity toward one metal in a two-component or a three-component system with an affinity order of Cd(II) > Zn(II) > Ni(II). Thermodynamic parameters indicated that heavy metal adsorption was feasible, spontaneous, and endothermic. Therefore, tourmaline should be explored as a material for removing pollutants from the strongly acidic wastewater. PMID:23851318

  20. Competitive adsorption of Cd(II), Zn(II) and Ni(II) from their binary and ternary acidic systems using tourmaline.

    PubMed

    Liu, Haibin; Wang, Cuiping; Liu, Jingting; Wang, Baolin; Sun, Hongwen

    2013-10-15

    The adsorption of Cd(II), Zn(II) and Ni(II) from aqueous solutions in binary and ternary component systems by tourmaline was investigated. Kinetic data were accurately fitted to pseudo-second order and internal diffusion models, which indicated that the adsorption of heavy metals occurred on the interior surface of the sorbent and internal diffusion was the controlling mechanism during heavy metal ion adsorption but was not the only rate-controlling step. Additionally, tourmaline had a very good adsorption capacity for Cd(II), Zn(II) and Ni(II) in multi-component aqueous solutions at strongly acidic pH values (in contrast to industrial wastewater pH values). This good adsorption capacity is attributed to the fact that tourmaline can automatically adjust the pH values of acidic (except pH 2.0 and 3.0), neutral or alkaline aqueous solutions to 6.0. Adsorption isotherms and separation factors showed that tourmaline displays a high selectivity toward one metal in a two-component or a three-component system with an affinity order of Cd(II) > Zn(II) > Ni(II). Thermodynamic parameters indicated that heavy metal adsorption was feasible, spontaneous, and endothermic. Therefore, tourmaline should be explored as a material for removing pollutants from the strongly acidic wastewater.

  1. Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend

    NASA Astrophysics Data System (ADS)

    Costa, Luciano T.; Sun, Bing; Jeschull, Fabian; Brandell, Daniel

    2015-07-01

    This paper presents atomistic molecular dynamics simulation studies of lithium bis(trifluoromethane)sulfonylimide (LiTFSI) in a blend of 1-ethyl-3-methylimidazolium (EMIm)-TFSI and poly(ethylene oxide) (PEO), which is a promising electrolyte material for Li- and Li-ion batteries. Simulations of 100 ns were performed for temperatures between 303 K and 423 K, for a Li:ether oxygen ratio of 1:16, and for PEO chains with 26 EO repeating units. Li+ coordination and transportation were studied in the ternary electrolyte system, i.e., PEO16LiTFSIṡ1.0 EMImTFSI, by applying three different force field models and are here compared to relevant simulation and experimental data. The force fields generated significantly different results, where a scaled charge model displayed the most reasonable comparisons with previous work and overall consistency. It is generally seen that the Li cations are primarily coordinated to polymer chains and less coupled to TFSI anion. The addition of EMImTFSI in the electrolyte system enhances Li diffusion, associated to the enhanced TFSI dynamics observed when increasing the overall TFSI anion concentration in the polymer matrix.

  2. Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend.

    PubMed

    Costa, Luciano T; Sun, Bing; Jeschull, Fabian; Brandell, Daniel

    2015-07-14

    This paper presents atomistic molecular dynamics simulation studies of lithium bis(trifluoromethane)sulfonylimide (LiTFSI) in a blend of 1-ethyl-3-methylimidazolium (EMIm)-TFSI and poly(ethylene oxide) (PEO), which is a promising electrolyte material for Li- and Li-ion batteries. Simulations of 100 ns were performed for temperatures between 303 K and 423 K, for a Li:ether oxygen ratio of 1:16, and for PEO chains with 26 EO repeating units. Li(+) coordination and transportation were studied in the ternary electrolyte system, i.e., PEO16LiTFSI⋅1.0 EMImTFSI, by applying three different force field models and are here compared to relevant simulation and experimental data. The force fields generated significantly different results, where a scaled charge model displayed the most reasonable comparisons with previous work and overall consistency. It is generally seen that the Li cations are primarily coordinated to polymer chains and less coupled to TFSI anion. The addition of EMImTFSI in the electrolyte system enhances Li diffusion, associated to the enhanced TFSI dynamics observed when increasing the overall TFSI anion concentration in the polymer matrix.

  3. Phase relationships in the quasi-ternary LaO1.5-SiO2-MgO system at 1773 K

    NASA Astrophysics Data System (ADS)

    Kobayashi, Kiyoshi; Sakka, Yoshio

    2012-08-01

    Phase relationships in the LaO1.5-SiO2-MgO quasi-ternary system at 1773 K were investigated by powder x-ray diffraction (XRD) analysis applying single- and multiple-phase Rietveld methods. Most of the formed phases satisfied the Gibbs’ phase rule, except for the samples containing LaO1.5 and a liquid phase at 1773 K. The detection of segregated MgO phases was difficult in the XRD profiles of the compositional samples around the oxyapatite single phase because the MgO peaks were weak and heavily overlapped by peaks from the oxyapatite and La(OH)3 phases. The solid solubility limit of MgO in oxyapatite was determined not only from the chemical composition of the oxyapatite phase, which was confirmed by XRD, but also from several phase boundary compositions among the two-phase and three-phase regions based on the Gibbs’ phase rule. Formation of a liquid phase at 1773 K was observed in a wide range of compositions and considered when constructing the phase diagram.

  4. Removal of added nitrate in the single, binary, and ternary systems of cotton burr compost, zerovalent iron, and sediment: Implications for groundwater nitrate remediation using permeable reactive barriers.

    PubMed

    Su, Chunming; Puls, Robert W

    2007-04-01

    Recent research has shown that carbonaceous solid materials and zerovalent iron (Fe(0)) may potentially be used as media in permeable reactive barriers (PRBs) to degrade groundwater nitrate via heterotrophic denitrification in the solid carbon system, and via abiotic reduction and autotrophic denitrification in the Fe(0) system. Questions arise as whether the more expensive Fe(0) is more effective than the less expensive carbonaceous solid materials for groundwater nitrate remediation, and whether there is any synergistic effect of mixing the two different types of materials. We carried out batch tests to study the nature and rates of removal of added nitrate in the suspensions of single, binary, and ternary systems of cotton burr compost, Peerless Fe(0), and a sediment low in organic carbon. Cotton burr compost acted as both organic carbon source and supporting material for the growth of indigenous denitrifiers. Batch tests showed that cotton burr compost alone removed added nitrate at a greater rate than did Peerless Fe(0) alone on an equal mass basis with a pseudo-first-order rate constant k=0.0830+/-0.0031 h(-1) for cotton burr compost and a k=0.00223+/-0.00022 h(-1) for Peerless Fe(0); cotton burr compost also removed added nitrate at a faster rate than did cotton burr compost mixed with Peerless Fe(0) and/or the sediment. Furthermore, there was no substantial accumulation of ammonium ions in the cotton burr compost system, in contrast to the systems containing Peerless Fe(0) in which ammonium ions persisted as major products of nitrate reduction. It is concluded that cotton burr compost alone may be used as an excellent denitrification medium in a PRB for groundwater nitrate removal. Further study is needed to evaluate performance of its field applications. PMID:17257645

  5. Removal of added nitrate in the single, binary, and ternary systems of cotton burr compost, zerovalent iron, and sediment: Implications for groundwater nitrate remediation using permeable reactive barriers.

    PubMed

    Su, Chunming; Puls, Robert W

    2007-04-01

    Recent research has shown that carbonaceous solid materials and zerovalent iron (Fe(0)) may potentially be used as media in permeable reactive barriers (PRBs) to degrade groundwater nitrate via heterotrophic denitrification in the solid carbon system, and via abiotic reduction and autotrophic denitrification in the Fe(0) system. Questions arise as whether the more expensive Fe(0) is more effective than the less expensive carbonaceous solid materials for groundwater nitrate remediation, and whether there is any synergistic effect of mixing the two different types of materials. We carried out batch tests to study the nature and rates of removal of added nitrate in the suspensions of single, binary, and ternary systems of cotton burr compost, Peerless Fe(0), and a sediment low in organic carbon. Cotton burr compost acted as both organic carbon source and supporting material for the growth of indigenous denitrifiers. Batch tests showed that cotton burr compost alone removed added nitrate at a greater rate than did Peerless Fe(0) alone on an equal mass basis with a pseudo-first-order rate constant k=0.0830+/-0.0031 h(-1) for cotton burr compost and a k=0.00223+/-0.00022 h(-1) for Peerless Fe(0); cotton burr compost also removed added nitrate at a faster rate than did cotton burr compost mixed with Peerless Fe(0) and/or the sediment. Furthermore, there was no substantial accumulation of ammonium ions in the cotton burr compost system, in contrast to the systems containing Peerless Fe(0) in which ammonium ions persisted as major products of nitrate reduction. It is concluded that cotton burr compost alone may be used as an excellent denitrification medium in a PRB for groundwater nitrate removal. Further study is needed to evaluate performance of its field applications.

  6. Phase Equilibria of the Ternary Sn-Pb-Co System at 250°C and Interfacial Reactions of Co with Sn-Pb Alloys

    NASA Astrophysics Data System (ADS)

    Wang, Chao-hong; Kuo, Chun-yi; Yang, Nian-cih

    2015-11-01

    The isothermal section of the ternary Sn-Pb-Co system at 250°C was experimentally determined through a series of the equilibrated Sn-Pb-Co alloys of various compositions. The equilibrium phases were identified on the basis of compositional analysis. For the Sn-Co intermetallic compounds (IMCs), CoSn3, CoSn2, CoSn and Co3Sn2, the Pb solubility was very limited. There exist five tie-triangle regions. The Co-Pb system involves one monotectic reaction, so the phase separation of liquid alloys near the Co-Pb side occurred prior to solidification. The immiscibility field was also determined. Additionally, interfacial reactions between Co and Sn-Pb alloys were conducted. The reaction phase for the Sn-48 at.%Pb and Sn-58 at.%Pb at 250°C was CoSn3 and CoSn2, respectively. Both of them were simultaneously formed in the Sn-53 at.%Pb/Co. The formed IMCs were closely associated to the phase equilibria relationship of the liquid-CoSn3-CoSn2 tie-triangle. Furthermore, with increasing temperatures, the phase formed in equilibrium with Sn-37 wt.%Pb was found to transit from CoSn3 to CoSn2 at 275°C. We propose a simple method of examining the phase transition temperature in the interfacial reactions to determine the boundaries of the liquid-CoSn3-CoSn2 tie-triangles at different temperatures.

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

    SciTech Connect

    Zhu, J.H.; Liaw, P.K.; Liu, C.T.

    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.

  8. Ternary boride product and process

    NASA Technical Reports Server (NTRS)

    Clougherty, Edward V. (Inventor)

    1976-01-01

    A hard, tough, strong ceramic body is formed by hot pressing a mixture of a powdered metal and a powdered metal diboride. The metal employed is zirconium, titanium or hafnium and the diboride is the diboride of a different member of the same group of zirconium, titanium or hafnium to form a ternary composition. During hot pressing at temperatures above about 2,000.degree.F., a substantial proportion of acicular ternary monoboride is formed.

  9. On the growth of ternary system HNO{sub 3}/H{sub 2}SO{sub 4}/H{sub 2} aerosol particles in the stratosphere

    SciTech Connect

    Hamill, P.; Tabazadeh, A.; Kinne, S.; Toon, O.B.

    1996-04-01

    The authors present model study results on the formation of ternary aerosols of nitric acid, sulfuric acid, and water in the stratosphere. The aerosol particles grow by means of a heteromolecular condensation process. The authors assume the particles are in equilibrium with the background water vapor.

  10. Voltammetric study of the boric acid-salicylaldehyde-H-acid ternary system and its application to the voltammetric determination of boron.

    PubMed

    Kajiwara, Mari; Ito, Yoshio N; Miyazaki, Yoshinobu; Fujimori, Takao; Takehara, Kô; Yoshimura, Kazuhisa

    2015-02-14

    The ternary system of boric acid, salicylaldehyde (SA) and H-acid (HA) was voltammetrically studied from kinetic and equilibrium points of view. The effect of the SA substituents was also studied by using two analogs, 5-fluorosalicylaldehyde (F-SA) and 5-methylsalicylaldehyde (Me-SA). The three cathodic peaks of Azomethine H (AzH), Azomethine H-boric acid complex (AzB), and free SA were observed in the solution containing boric acid, SA and HA. The peak potentials of AzH and SA were shifted to negative potentials with increasing pH, while the peak potential of AzB was pH-independent. This difference indicates that a proton participates in the charge-transfer steps of the AzH and SA reductions, but not in that of the AzB reduction. The formation constants for the AzB complexation were similar among all the examined analogs. In the kinetic study, the reaction rate was higher in an acidic condition for the AzH formation, but in a neutral condition for the AzB formation. The rate constants for the AzB complexes were in the order of F-SA > SA ≈ Me-SA, indicating that the fluoro group accelerates the F-AzB complexation. The AzB complexation mechanism is considered to consist of more than three steps, i.e., the pre-equilibrium of the salicylaldehyde-boric acid complex (SA-B) formation, the nucleophilic attack of HA on SA-B, and the remaining some steps to form AzB. Based on these results, the voltammetric determination method of boron using F-SA was optimized, which allowed the boron concentration to be determined within only 5 min with a 0.03 mg B dm(-3) detection limit.

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

    NASA Astrophysics Data System (ADS)

    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.

  12. More statistics on intermetallic compounds - ternary phases.

    PubMed

    Dshemuchadse, Julia; Steurer, Walter

    2015-05-01

    How many different intermetallic compounds are known so far, and in how many different structure types do they crystallize? What are their chemical compositions, the most abundant ones and the rarest ones? These are some of the questions we are trying to find answers for in our statistical analysis of the structures of the 20,829 intermetallic phases included in the database Pearson's Crystal Data, with the goal of gaining insight into some of their ordering principles. In the present paper, we focus on the subset of 13,026 ternary intermetallics, which crystallize in 1391 different structure types; remarkably, 667 of them have just one representative. What makes these 667 structures so unique that they are not adopted by any other of the known intermetallic compounds? Notably, ternary compounds are known in only 5109 of the 85,320 theoretically possible ternary intermetallic systems so far. In order to get an overview of their chemical compositions we use structure maps with Mendeleev numbers as ordering parameters.

  13. Ternary phase behaviour and vesicle formation of a sodium N-lauroylsarcosinate hydrate/1-decanol/water system

    NASA Astrophysics Data System (ADS)

    Akter, Nasima; Radiman, Shahidan; Mohamed, Faizal; Rahman, Irman Abdul; Reza, Mohammad Imam Hasan

    2011-08-01

    The phase behaviour of a system composed of amino acid-based surfactant (sodium N-lauroylsarcosinate hydrate), 1-decanol and deionised water was investigated for vesicle formation. Changing the molar ratio of the amphiphiles, two important aggregate structures were observed in the aqueous corner of the phase diagram. Two different sizes of microemulsions were found at two amphiphile-water boundaries. A stable single vesicle lobe was found for 1∶2 molar ratios in 92 wt% water with vesicles approximately 100 nm in size and with high zeta potential value. Structural variation arises due to the reduction of electrostatic repulsions among the ionic headgroups of the surfactants and the hydration forces due to adsorbed water onto monolayer's. The balance of these two forces determines the aggregate structures. Analysis was followed by the molecular geometrical structure. These findings may have implications for the development of drug delivery systems for cancer treatments, as well as cosmetic and food formulations.

  14. Ternary phase behaviour and vesicle formation of a sodium N-lauroylsarcosinate hydrate/1-decanol/water system

    PubMed Central

    Akter, Nasima; Radiman, Shahidan; Mohamed, Faizal; Rahman, Irman Abdul; Reza, Mohammad Imam Hasan

    2011-01-01

    The phase behaviour of a system composed of amino acid-based surfactant (sodium N-lauroylsarcosinate hydrate), 1-decanol and deionised water was investigated for vesicle formation. Changing the molar ratio of the amphiphiles, two important aggregate structures were observed in the aqueous corner of the phase diagram. Two different sizes of microemulsions were found at two amphiphile-water boundaries. A stable single vesicle lobe was found for 1∶2 molar ratios in 92 wt% water with vesicles approximately 100 nm in size and with high zeta potential value. Structural variation arises due to the reduction of electrostatic repulsions among the ionic headgroups of the surfactants and the hydration forces due to adsorbed water onto monolayer's. The balance of these two forces determines the aggregate structures. Analysis was followed by the molecular geometrical structure. These findings may have implications for the development of drug delivery systems for cancer treatments, as well as cosmetic and food formulations. PMID:22355590

  15. Reaction of plutonium with water kinetic and equilibrium behavior of binary and ternary phases in the Pu + O + H system

    SciTech Connect

    Haschke, J.M.; Hodges, A.E. III; Bixby, G.E.; Lucas, R.L.

    1983-02-03

    The kinetic and equilibrium behavior of the Pu + O + H system has been studied by measuring the production of hydrogen gas formed by a sequence of hydrolysis reactions. The kinetic dependence of the Pu + H/sub 2/O reaction on salt concentration and temperature has been defined. The metal is quantitatively converted to a fine black powder which has been identified as plutonium monoxide monohydride, PuOH. Other hydrolysis products formed in aqueous media include a second oxide hydride, Pu/sub 7/O/sub 9/H/sub 3/, and the oxides Pu/sub 2/O/sub 3/, Pu/sub 7/O/sub 12/, Pu/sub 9/O/sub 16/, Pu/sub 10/O/sub 18/, Pu/sub 12/O/sub 22/, and PuO/sub 2/. Thermal decomposition products of PuOH include Pu/sub 2/O/sub 2/H and PuO. A tentative phase diagram for Pu + O + H is presented and structural relationships of the oxide hydrides and oxides are discussed. 10 figures, 5 tables.

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

    SciTech Connect

    Ching, Wai-Yim

    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.

  17. Acetone-butanol-ethanol competitive sorption simulation from single, binary, and ternary systems in a fixed-bed of KA-I resin.

    PubMed

    Wu, Jinglan; Zhuang, Wei; Ying, Hanjie; Jiao, Pengfei; Li, Renjie; Wen, Qingshi; Wang, Lili; Zhou, Jingwei; Yang, Pengpeng

    2015-01-01

    Separation of butanol based on sorption methodology from acetone-butanol-ethanol (ABE) fermentation broth has advantages in terms of biocompatibility and stability, as well as economy, and therefore gains much attention. In this work a chromatographic column model based on the solid film linear driving force approach and the competitive Langmuir isotherm equations was used to predict the competitive sorption behaviors of ABE single, binary, and ternary mixture. It was observed that the outlet concentration of weaker retained components exceeded the inlet concentration, which is an evidence of competitive adsorption. Butanol, the strongest retained component, could replace ethanol almost completely and also most of acetone. In the end of this work, the proposed model was validated by comparison of the experimental and predicted ABE ternary breakthrough curves using the real ABE fermentation broth as a feed solution.

  18. The choice of reaction path during ternary diffusion process

    NASA Astrophysics Data System (ADS)

    Wierzba, Bartek

    2016-08-01

    The complete understanding of the phenomenological process related to the evolution of the ternary multiphase system is still lacking. In this paper the ternary interdiffusion process in multiphase system is discussed by means of numerical modeling. The entropy production principle is proposed to chose the proper diffusion path during the process (e.g. internal oxidation). The bi-velocity method of the three-component multi-phase system is presented. The simulations show the local entropy production curve that determines the thickness of the two-phase zone.

  19. System DyFeO: thermodynamic properties of ternary oxides using Calvet calorimetry and solid-state electrochemical cell

    NASA Astrophysics Data System (ADS)

    Parida, S. C.; Jacob, K. T.; Venugopal, V.

    2002-10-01

    the system DyFeO were developed at 1250 K.

  20. Material properties of perovskites in the quasi-ternary system LaFeO3–LaCoO3–LaNiO3

    DOE PAGES

    Tietz, F.; Arul Raj, I.; Ma, Q.; Baumann, S.; Mahmoud, A.; Hermann, R. P.

    2016-02-02

    We present an overview on the variation of electrical conductivity, oxygen permeation, oxygen surface exchange and thermal expansion coefficient as a function of the composition of perovskites in the quasi-ternary system LaFeO3–LaCoO3–LaNiO3. Powders of thirteen nominal perovskite compositions were synthesized under identical conditions by the Pechini method. The powder X-ray diffraction data of two series, namely La(Ni0.5Fe0.5)1-xCoxO3 and LaNi0.5- xFexCo0.5O3, are presented after the powders had been sintered at 1100 C for 6 h in air. The measurements revealed a rhombohedral structure for all compositions except LaNi0.5Fe0.5O3 for which 60% rhombohedral and 40% orthorhombic phase was found. Moreover, the maximummore » DC electrical conductivity value of the perovskites at 800 C was 1229 S cm-1 for the composition LaCoO3 and the minimum was 91 S cm-1 for the composition LaCo0.5Fe0.5O3. The oxygen permeation of samples with promising conductivities at 800 C was one order of magnitude lower than that of La0.6Sr0.4Co0.8Fe0.2O3 (LSCF). The highest value of 0.017 ml cm-2 min-1 at 950 C was obtained with LaNi0.5Co0.5O3. The coefficients of thermal expansion varied in the range of 13.2 x 10-6 K-1 and 21.9 x 10-6 K-1 for LaNi0.5Fe0.5O3 and LaCoO3, respectively. 57Fe M ssbauer spectroscopy was used as probe for the oxidation states, local environment and magnetic properties of iron ions as a function of chemical composition. Ultimately, the substitution had a great influence on the chemical properties of the materials.« less

  1. Material properties of perovskites in the quasi-ternary system LaFeO3-LaCoO3-LaNiO3

    NASA Astrophysics Data System (ADS)

    Tietz, F.; Arul Raj, I.; Ma, Q.; Baumann, S.; Mahmoud, A.; Hermann, R. P.

    2016-05-01

    An overview is presented on the variation of electrical conductivity, oxygen permeation, and thermal expansion coefficient as a function of the composition of perovskites in the quasi-ternary system LaFeO3-LaCoO3-LaNiO3. Powders of thirteen nominal perovskite compositions were synthesized under identical conditions by the Pechini method. The powder X-ray diffraction data of two series, namely La(Ni0.5Fe0.5)1-xCoxO3 and LaNi0.5-xFexCo0.5O3, are presented after the powders had been sintered at 1100 °C for 6 h in air. The measurements revealed a rhombohedral structure for all compositions except LaNi0.5Fe0.5O3 for which 60% rhombohedral and 40% orthorhombic phase was found. The maximum DC electrical conductivity value of the perovskites at 800 °C was 1229 S cm-1 for the composition LaCoO3 and the minimum was 91 S cm-1 for the composition LaCo0.5Fe0.5O3. The oxygen permeation of samples with promising conductivities at 800 °C was one order of magnitude lower than that of La0.6Sr0.4Co0.8Fe0.2O3 (LSCF). The highest value of 0.017 ml cm-2 min-1 at 950 °C was obtained with LaNi0.5Co0.5O3. The coefficients of thermal expansion varied in the range of 13.2×10-6 K-1 and 21.9×10-6 K-1 for LaNi0.5Fe0.5O3 and LaCoO3, respectively. 57Fe Mössbauer spectroscopy was used as probe for the oxidation states, local environment and magnetic properties of iron ions as a function of chemical composition. The substitution had a great influence on the chemical properties of the materials.

  2. Thermodynamic properties of ternary oxides in the system Ba-Fe-O using solid-state electrochemical cells with oxide and fluoride ion conducting electrolytes

    NASA Astrophysics Data System (ADS)

    Rakshit, S. K.; Parida, S. C.; Singh, Ziley; Prasad, R.; Venugopal, V.

    2004-04-01

    The standard molar Gibbs energy of formations of BaFe 12O 19(s), BaFe 2O 4(s), Ba 2Fe 2O 5(s), Ba 3Fe 2O 6(s) and Ba 5Fe 2O 8(s) have been determined using solid-state electrochemical technique employing CaF 2(s) as an electrolyte. The reversible e.m.f. values have been measured in the temperature range from 970 to 1151 K. The oxygen chemical potential corresponding to three phase equilibria involving technologically important compound BaFe 12O 19(s) has been determined using solid-state electrochemical technique employing CSZ as an electrolyte from 1048 to 1221 K. The values of Δ fGm0( T) for the above ternary oxides are given by ΔfG m0( BaFe12O19, s)/ kJ mol -1(±0.6)=-5431.3+1.5317 (T/ K) (970⩽T/ K⩽1151) ΔfG m0( BaFe2O4, s)/ kJ mol -1(±1.3)=-1461.4+0.3745 (T/ K) (970⩽T/ K⩽1151) ΔfG m0( Ba2Fe2O5, s)/ kJ mol -1(±1.4)=-2038.3+0.4433 (T/ K) (970⩽T/ K⩽1149) ΔfG m0( Ba3Fe2O6, s)/ kJ mol -1(±1.5)=-2700.1+0.6090 (T/ K) (969⩽T/ K⩽1150) and ΔfG m0( Ba5Fe2O8, s)/ kJ mol -1(±1.6)=-3984.1+0.9300 (T/ K) (973⩽T/ K⩽1150) The uncertainty estimates for Δ fGm0 includes the standard deviation in the e.m.f. and uncertainty in the data taken from the literature. An isothermal oxygen potential diagram for the system Ba-Fe-O was constructed at 1100 K based on the thermodynamic data obtained in this study.

  3. Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - II. Calibration of a combined ordering model and mixing model

    USGS Publications Warehouse

    McSwiggen, P.L.

    1993-01-01

    Earlier attempts at solution models for the ternary carbonate system have been unable to adequately accommodate the cation ordering which occurs in some of the carbonate phases. The carbonate solution model of this study combines a Margules type of interaction model with a Bragg-Williams type of ordering model. The ordering model determines the equilibrium state of order for a crystal, from which the cation distribution within the lattice can be obtained. The interaction model addresses the effect that mixing different cation species within a given cation layer has on the total free energy of the system. An ordering model was derived, based on the Bragg-Williams approach; it is applicable to ternary systems involving three cations substituting on two sites, and contains three ordering energy parameters (WCaMg, WCaFe, and WCaMgFe). The solution model of this study involves six Margules-type interaction parameters (W12, W21, W13, W31, W23, and W32). Values for the two sets of energy parameters were calculated from experimental data and from compositional relationships in natural assemblages. ?? 1993 Springer-Verlag.

  4. Ternary blend polymer solar cells with enhanced power conversion efficiency

    NASA Astrophysics Data System (ADS)

    Lu, Luyao; Xu, Tao; Chen, Wei; Landry, Erik S.; Yu, Luping

    2014-09-01

    The use ternary organic components is currently being pursued to enhance the power conversion efficiency of bulk heterojunction solar cells by expanding the spectral range of light absorption. Here, we report a ternary blend polymer solar cell containing two donor polymers, poly-3-oxothieno[3,4-d]isothiazole-1,1-dioxide/benzodithiophene (PID2), polythieno[3,4-b]-thiophene/benzodithiophene (PTB7) and [6,6]-phenyl C71 butyric acid methyl ester (PC71BM) as an acceptor. The resulting ternary solar cell delivered a power conversion efficiency of 8.22% with a short-circuit current density Jsc of 16.8 mA cm-2, an open-circuit voltage Voc of 0.72 V and a fill factor of 68.7%. In addition to extended light absorption, we show that Jsc is improved through improved charge separation and transport and decreased charge recombination, resulting from the cascade energy levels and optimized device morphology of the ternary system. This work indicates that ternary blend solar cells have the potential to surpass high-performance binary polymer solar cells after further device engineering and optimization.

  5. Influence of hydroxyapatite nanoparticles on the viscosity of dimethyl sulfoxide-H2O-NaCl and glycerol-H2O-NaCl ternary systems at subzero temperatures.

    PubMed

    Yi, Jingru; Tang, Heyu; Zhao, Gang

    2014-10-01

    The viscosity, at subzero temperatures, of ternary solutions commonly used in cryopreservation is tremendously important for understanding ice formation and molecular diffusion in biopreservation. However, this information is scarce in the literature. In addition, to the best of our knowledge, the effect of nanoparticles on the viscosity of these solutions has not previously been reported. The objectives of this study were thus: (i) to systematically measure the subzero viscosity of two such systems, dimethyl sulfoxide (Me2SO)-H2O-NaCl and glycerol-H2O-NaCl; (ii) to explore the effect of hydroxyapatite (HA) nanoparticles on the viscosity; and (iii) to provide models that precisely predict viscosity at multiple concentrations of cryoprotective agent (CPA) in saline solutions at subzero temperatures. Our experiments were performed in two parts. We first measured the viscosity at multiple CPA concentrations [0.3-0.75 (w/w)] in saline solution with and without nanoparticles at subzero temperatures (0 to -30°C). The data exhibited a good fit to the Williams-Landel-Ferry (WLF) equation. We then measured the viscosity of residual unfrozen ternary solutions with and without nanoparticles during equilibrium freezing. HA nanoparticles made the solution more viscous, suggesting applications for these nanoparticles in preventing cell dehydration, ice nucleation, and ice growth during freezing and thawing in cryopreservation.

  6. Influence of hydroxyapatite nanoparticles on the viscosity of dimethyl sulfoxide-H2O-NaCl and glycerol-H2O-NaCl ternary systems at subzero temperatures.

    PubMed

    Yi, Jingru; Tang, Heyu; Zhao, Gang

    2014-10-01

    The viscosity, at subzero temperatures, of ternary solutions commonly used in cryopreservation is tremendously important for understanding ice formation and molecular diffusion in biopreservation. However, this information is scarce in the literature. In addition, to the best of our knowledge, the effect of nanoparticles on the viscosity of these solutions has not previously been reported. The objectives of this study were thus: (i) to systematically measure the subzero viscosity of two such systems, dimethyl sulfoxide (Me2SO)-H2O-NaCl and glycerol-H2O-NaCl; (ii) to explore the effect of hydroxyapatite (HA) nanoparticles on the viscosity; and (iii) to provide models that precisely predict viscosity at multiple concentrations of cryoprotective agent (CPA) in saline solutions at subzero temperatures. Our experiments were performed in two parts. We first measured the viscosity at multiple CPA concentrations [0.3-0.75 (w/w)] in saline solution with and without nanoparticles at subzero temperatures (0 to -30°C). The data exhibited a good fit to the Williams-Landel-Ferry (WLF) equation. We then measured the viscosity of residual unfrozen ternary solutions with and without nanoparticles during equilibrium freezing. HA nanoparticles made the solution more viscous, suggesting applications for these nanoparticles in preventing cell dehydration, ice nucleation, and ice growth during freezing and thawing in cryopreservation. PMID:25127873

  7. Electrical conductivity measurements for the ternary systems of glycerol/sodium chloride/water and ethylene glycol/sodium chloride/water and their applications in cryopreservation.

    PubMed

    Chen, Hsiu-Hung; Zhou, Xiaoming; Shu, Zhiquan; Woods, Erik J; Gao, Dayong

    2009-03-01

    Electrical conductivity of a solution is a property that can be easily determined through the measurement of a conductivity probe. The present study demonstrates the measurements of electrical conductivity for two ternary solutions: glycerol/sodium chloride/water and ethylene glycol/sodium chloride/water. When the concentration of sodium chloride to water ratio (R) is fixed, the existence of either glycerol or ethylene glycol, both cryoprotective agents (CPAs), can be quantitatively determined by their depressive influence on electrical conductivity of the solution. The measurements were performed on solutions with a set of 10 different concentrations of CPAs, ranging from 3.2% to 50% (v/v), along with five ratios of NaCl/water solutions. Equations to fit the experimental measurements were devised to characterize the relations among electrical conductivity, CPAs concentration, and R. A conductivity meter used in this study required <5 s to read the solution's electrical conductivity, which is faster than the measurement using osmometry method. The charts of ternary solutions associated with their electrical conductivity and concentrations make it especially useful for monitoring the cryopreservation processes, including addition and removal of CPAs, to prevent osmotic damages to biological samples.

  8. Pt-B System Revisited: Pt2B, a New Structure Type of Binary Borides. Ternary WAl12-Type Derivative Borides.

    PubMed

    Sologub, Oksana; Salamakha, Leonid; Rogl, Peter; Stöger, Berthold; Bauer, Ernst; Bernardi, Johannes; Giester, Gerald; Waas, Monika; Svagera, Robert

    2015-11-16

    On the basis of a detailed study applying X-ray single-crystal and powder diffraction, differential scanning calorimetry, and scanning electron microscopy analysis, it was possible to resolve existing uncertainties in the Pt-rich section (≥65 atom % Pt) of the binary Pt-B phase diagram above 600 °C. The formation of a unique structure has been observed for Pt2B [X-ray single-crystal data: space group C2/m, a = 1.62717(11) nm, b = 0.32788(2) nm, c = 0.44200(3) nm, β = 104.401(4)°, RF2 = 0.030]. Within the homogeneity range of "Pt3B", X-ray powder diffraction phase analysis prompted two structural modifications as a function of temperature. The crystal structure of "hT-Pt3B" complies with the hitherto reported structure of anti-MoS2 [space group P63/mmc, a = 0.279377(2) nm, c = 1.04895(1) nm, RF = 0.075, RI = 0.090]. The structure of the new "[Formula: see text]T-Pt3B" is still unknown. The formation of previously reported Pt∼4B has not been confirmed from binary samples. Exploration of the Pt-rich section of the Pt-Cu-B system at 600 °C revealed a new ternary compound, Pt12CuB6-y [X-ray single-crystal data: space group Im3̅, a = 0.75790(2) nm, y = 3, RF2 = 0.0129], which exhibits the filled WAl12-type structure accommodating boron in the interstitial trigonal-prismatic site 12e. The isotypic platinum-aluminum-boride was synthesized and studied. The solubility of copper in binary platinum borides has been found to attain ∼7 atom % Cu for Pt2B but to be insignificant for "[Formula: see text]T-Pt3B". The architecture of the new Pt2B structure combines puckered layers of boron-filled and empty [Pt6] octahedra (anti-CaCl2-type fragment) alternating along the x axis with a double layer of boron-semifilled [Pt6] trigonal prisms interbedded with a layer of empty tetrahedra and tetragonal pyramids (B-deficient α-T[Formula: see text]I fragment). Assuming boron vacancies ordering (space group R3), the Pt12CuB6-y structure exhibits serpentine-like columns of edge

  9. Pt-B System Revisited: Pt2B, a New Structure Type of Binary Borides. Ternary WAl12-Type Derivative Borides.

    PubMed

    Sologub, Oksana; Salamakha, Leonid; Rogl, Peter; Stöger, Berthold; Bauer, Ernst; Bernardi, Johannes; Giester, Gerald; Waas, Monika; Svagera, Robert

    2015-11-16

    On the basis of a detailed study applying X-ray single-crystal and powder diffraction, differential scanning calorimetry, and scanning electron microscopy analysis, it was possible to resolve existing uncertainties in the Pt-rich section (≥65 atom % Pt) of the binary Pt-B phase diagram above 600 °C. The formation of a unique structure has been observed for Pt2B [X-ray single-crystal data: space group C2/m, a = 1.62717(11) nm, b = 0.32788(2) nm, c = 0.44200(3) nm, β = 104.401(4)°, RF2 = 0.030]. Within the homogeneity range of "Pt3B", X-ray powder diffraction phase analysis prompted two structural modifications as a function of temperature. The crystal structure of "hT-Pt3B" complies with the hitherto reported structure of anti-MoS2 [space group P63/mmc, a = 0.279377(2) nm, c = 1.04895(1) nm, RF = 0.075, RI = 0.090]. The structure of the new "[Formula: see text]T-Pt3B" is still unknown. The formation of previously reported Pt∼4B has not been confirmed from binary samples. Exploration of the Pt-rich section of the Pt-Cu-B system at 600 °C revealed a new ternary compound, Pt12CuB6-y [X-ray single-crystal data: space group Im3̅, a = 0.75790(2) nm, y = 3, RF2 = 0.0129], which exhibits the filled WAl12-type structure accommodating boron in the interstitial trigonal-prismatic site 12e. The isotypic platinum-aluminum-boride was synthesized and studied. The solubility of copper in binary platinum borides has been found to attain ∼7 atom % Cu for Pt2B but to be insignificant for "[Formula: see text]T-Pt3B". The architecture of the new Pt2B structure combines puckered layers of boron-filled and empty [Pt6] octahedra (anti-CaCl2-type fragment) alternating along the x axis with a double layer of boron-semifilled [Pt6] trigonal prisms interbedded with a layer of empty tetrahedra and tetragonal pyramids (B-deficient α-T[Formula: see text]I fragment). Assuming boron vacancies ordering (space group R3), the Pt12CuB6-y structure exhibits serpentine-like columns of edge

  10. High-performance ternary blend polymer solar cells involving both energy transfer and hole relay processes

    DOE PAGES

    Lu, Luyao; Chen, Wei; Xu, Tao; Yu, Luping

    2015-06-04

    The integration of multiple materials with complementary absorptions into a single junction device is regarded as an efficient way to enhance the power conversion efficiency (PCE) of organic solar cells (OSCs). However, because of increased complexity with one more component, only limited high-performance ternary systems have been demonstrated previously. Here we report an efficient ternary blend OSC with a PCE of 9.2%. We show that the third component can reduce surface trap densities in the ternary blend. Detailed studies unravel that the improved performance results from synergistic effects of enlarged open circuit voltage, suppressed trap-assisted recombination, enhanced light absorption, increasedmore » hole extraction, efficient energy transfer and better morphology. The working mechanism and high device performance demonstrate new insights and design guidelines for high-performance ternary blend solar cells and suggest that ternary structure is a promising platform to boost the efficiency of OSCs.« less

  11. High-performance ternary blend polymer solar cells involving both energy transfer and hole relay processes

    PubMed Central

    Lu, Luyao; Chen, Wei; Xu, Tao; Yu, Luping

    2015-01-01

    The integration of multiple materials with complementary absorptions into a single junction device is regarded as an efficient way to enhance the power conversion efficiency (PCE) of organic solar cells (OSCs). However, because of increased complexity with one more component, only limited high-performance ternary systems have been demonstrated previously. Here we report an efficient ternary blend OSC with a PCE of 9.2%. We show that the third component can reduce surface trap densities in the ternary blend. Detailed studies unravel that the improved performance results from synergistic effects of enlarged open circuit voltage, suppressed trap-assisted recombination, enhanced light absorption, increased hole extraction, efficient energy transfer and better morphology. The working mechanism and high device performance demonstrate new insights and design guidelines for high-performance ternary blend solar cells and suggest that ternary structure is a promising platform to boost the efficiency of OSCs. PMID:26041586

  12. Schematic Studies on the Structural Properties and Device Physics of All Small Molecule Ternary Photovoltaic Cells.

    PubMed

    Kim, Yu Jin; Hong, Jisu; Park, Chan Eon

    2015-09-30

    Although the field of ternary organic solar cells has seen much progress in terms of device performance in the past few years, limited understanding has restricted further development. For example, studies of the crystalline packing structure of ternary blends have rarely been reported in the solar cell field. Consequently, we chose two ternary blends of small molecules, two fullerene derivatives (small-molecule:PC71BM:PC61BM or small-molecule:PC71BM:ICBA), to investigate crystallization behavior and interactions among the three components. The crystalline structure of the ternary active blends was characterized using various techniques such as 2D-GIWAXS and AFM, and the relationship of the observed morphologies to device performance is discussed. Furthermore, the device physics associated with the charge generation, transport, and recombination dynamics of these ternary blend systems were investigated.

  13. High-performance ternary blend polymer solar cells involving both energy transfer and hole relay processes

    SciTech Connect

    Lu, Luyao; Chen, Wei; Xu, Tao; Yu, Luping

    2015-06-04

    The integration of multiple materials with complementary absorptions into a single junction device is regarded as an efficient way to enhance the power conversion efficiency (PCE) of organic solar cells (OSCs). However, because of increased complexity with one more component, only limited high-performance ternary systems have been demonstrated previously. Here we report an efficient ternary blend OSC with a PCE of 9.2%. We show that the third component can reduce surface trap densities in the ternary blend. Detailed studies unravel that the improved performance results from synergistic effects of enlarged open circuit voltage, suppressed trap-assisted recombination, enhanced light absorption, increased hole extraction, efficient energy transfer and better morphology. The working mechanism and high device performance demonstrate new insights and design guidelines for high-performance ternary blend solar cells and suggest that ternary structure is a promising platform to boost the efficiency of OSCs.

  14. Thermodynamics of the formation of sulfuric acid dimers in the binary (H2SO4-H2O) and ternary (H2SO4-H2O-NH3) system

    NASA Astrophysics Data System (ADS)

    Kürten, A.; Münch, S.; Rondo, L.; Bianchi, F.; Duplissy, J.; Jokinen, T.; Junninen, H.; Sarnela, N.; Schobesberger, S.; Simon, M.; Sipilä, M.; Almeida, J.; Amorim, A.; Dommen, J.; Donahue, N. M.; Dunne, E. M.; Flagan, R. C.; Franchin, A.; Kirkby, J.; Kupc, A.; Makhmutov, V.; Petäjä, T.; Praplan, A. P.; Riccobono, F.; Steiner, G.; Tomé, A.; Tsagkogeorgas, G.; Wagner, P. E.; Wimmer, D.; Baltensperger, U.; Kulmala, M.; Worsnop, D. R.; Curtius, J.

    2015-09-01

    Sulfuric acid is an important gas influencing atmospheric new particle formation (NPF). Both the binary (H2SO4-H2O) system and the ternary system involving ammonia (H2SO4-H2O-NH3) may be important in the free troposphere. An essential step in the nucleation of aerosol particles from gas-phase precursors is the formation of a dimer, so an understanding of the thermodynamics of dimer formation over a wide range of atmospheric conditions is essential to describe NPF. We have used the CLOUD chamber to conduct nucleation experiments for these systems at temperatures from 208 to 248 K. Neutral monomer and dimer concentrations of sulfuric acid were measured using a chemical ionization mass spectrometer (CIMS). From these measurements, dimer evaporation rates in the binary system were derived for temperatures of 208 and 223 K. We compare these results to literature data from a previous study that was conducted at higher temperatures but is in good agreement with the present study. For the ternary system the formation of H2SO4·NH3 is very likely an essential step in the formation of sulfuric acid dimers, which were measured at 210, 223, and 248 K. We estimate the thermodynamic properties (dH and dS) of the H2SO4·NH3 cluster using a simple heuristic model and the measured data. Furthermore, we report the first measurements of large neutral sulfuric acid clusters containing as many as 10 sulfuric acid molecules for the binary system using chemical ionization-atmospheric pressure interface time-of-flight (CI-APi-TOF) mass spectrometry.

  15. Quantum description of T-odd correlations in ternary fission

    SciTech Connect

    Bunakov, V. E.; Kadmensky, S. G.

    2008-07-15

    A quantum version of a unified description of two T-odd effects recently observed in the ternary fission of nuclei that is induced by polarized neutrons is considered. These effects are explained by the effect of the Coriolis interaction of the rotating fissile system on the angular distributions of light charged particles in the interior and exterior regions of the nucleus.

  16. Structure Properties of Ternary Hydrides Ni3AlHx

    NASA Astrophysics Data System (ADS)

    Pan, Yi-wei; Zhang, Wen-qing; Chen, Nan-xian

    1996-09-01

    The structure properties of the ternary hydrides Ni3AlHx are studied by use of the interatomic pair potentials obtained from the first principles electronic structure calculation and Chen-Mobius 3-dimensional lattice inversion method. The heat of formation and volume expansion of the hydrogenized systems are investigated.

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

    PubMed

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

    2008-12-10

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

  18. A theoretical investigation into the cooperativity effect between the H∙∙∙O and H∙∙∙F⁻ interactions and electrostatic potential upon 1:2 (F⁻:N-(Hydroxymethyl)acetamide) ternary-system formation.

    PubMed

    Tian, Qing-Ping; Wang, Yan-Hong; Shi, Wen-Jing; Song, Shu-Qin; Tang, Hai-Fei

    2013-12-01

    The cooperativity effects between the O/N-H∙∙∙F(-) anionic hydrogen-bonding and O/N-H∙∙∙O hydrogen-bonding interactions and electrostatic potentials in the 1:2 (F(-):N-(Hydroxymethyl)acetamide (signed as "ha")) ternary systems are investigated at the B3LYP/6-311++G** and MP2/6-311++G** levels. A comparison of the cooperativity effect in the "F(-)∙∙∙ha∙∙∙ha" and "FH∙∙∙ha(-)∙∙∙ha" systems is also carried out. The result shows that the increase of the H∙∙∙O interaction energy in the O-H∙∙∙O-H, N-H∙∙∙O-H or N-H∙∙∙O = C link is more notable than that in the O-H∙∙∙O = C contact upon ternary-system formation. The cooperativity effect is found in the complex formed by the O/N-H∙∙∙F(-) and O/N-H∙∙∙O interactions, while the anti-cooperativity effect is present in the system with only the O/N-H∙∙∙F(-) H-bond or the "FH∙∙∙ha(-)∙∙∙ha" complex by the N(-)∙∙∙H-F contact. Atoms in molecules (AIM) analysis and shift of electron density confirm the existence of cooperativity. The most negative surface electrostatic potential (V(S,min)) correlates well with the interaction energy E' int.(ha∙∙∙F-) and synergetic energy E(syn.), respectively. The relationship between the change of V(S,min) (i.e., ΔV(S,min)) and E(syn.) is also found.

  19. Polymer nanofibers: preserving nanomorphology in ternary blend organic photovoltaics.

    PubMed

    Salim, Teddy; Lek, Jun Yan; Bräuer, Björn; Fichou, Denis; Lam, Yeng Ming

    2014-11-21

    The morphology of donor-acceptor blends holds the key to good performance through the balancing of good exciton dissociation efficiency and interconnectivity for good charge collection. In this work, the good morphology is preserved in ternary blend systems through the use of poly(3-hexylthiophene) (P3HT) nanofibers. The iridium(III)-based metal complex is incorporated in P3HT-PCBM blends as a triplet exciton sensitizer in the bulk heterojunction (BHJ) organic photovoltaics (OPV). The devices using triplet-sensitized ternary blends of P3HT experience a significant degradation in performance, a tendency further aggravated by thermal treatment. This is due to disruption in the morphology thus affecting charge generation and collection. In order to overcome these morphological issues and to circumvent the restriction due to the crystallization of the polymers, here we demonstrate the use of pre-assembled nanofibers in these ternary blends. The concept of stabilizing the nanomorphology of the blend material through the use of nanofibers can also be applied to other ternary systems.

  20. Effect of ultrasound-assisted crystallization in the diastereomeric salt resolution of tetramisole enantiomers in ternary system with O,O'-dibenzoyl-(2R,3R)-tartaric acid.

    PubMed

    Szeleczky, Zsolt; Kis-Mihály, Erzsébet; Semsey, Sándor; Pataki, Hajnalka; Bagi, Péter; Pálovics, Emese; Marosi, György; Pokol, György; Fogassy, Elemér; Madarász, János

    2016-09-01

    The diastereomeric salt resolution of racemic tetramisole was studied using ultrasound irradiation. We examined the effect of power and duration of ultrasonic irradiation on the properties of the crystalline phase formed by ultrasound-assisted crystallization and the result of the whole optical resolution. The results were compared with reference experiment without using ultrasound. The US time (5-30min) caused higher enantiomeric excess. Although yield was lower continuously high resolving efficiency could have been reached through ultrasound. We had the best results with 4.3W ultrasound power when resolvability was even higher than the best of reference. Furthermore, we accomplished a deep and thorough examination of the salts that possibly could form in this resolution. One of the four diastereomeric salts, which have been identified by powder X-ray diffraction, FTIR-spectroscopy, and differential scanning calorimetry (DSC) in the ternary system of the two tetramisole enantiomers and the resolving agent, namely the bis[(S)-tetramisole]-dibenzoyl-(R,R)-tartrate salt have been proven the key compound in the resolution process, and presented the highest melting point of 166°C (dec.) among the four salts. The originally expected diastereomeric bitartrate salts with 1:1M base:acid ratio [(S)-tetramisole-dibenzoyl-(R,R)-hydrogen-tartrate salt and (R)-tetramisole-dibenzoyl-(R,R)-hydrogen-tartrate salt] and their 'racemic' co-crystal [(RS)-tetramisole-dibenzoyl-(R,R)-hydrogen-tartrate salt] showed somewhat lower melting points (152, 145, and 150°C, respectively) and their crystallization was also prevented by application of ultrasound. Based on the melting points and enthalpies of fusion measured by DSC, all the binary and ternary phase diagrams have been newly established and calculated in the system with help of classical modelling equations of liquidus curves. PMID:27150740

  1. Mixed ternary heterojunction solar cell

    DOEpatents

    Chen, Wen S.; Stewart, John M.

    1992-08-25

    A thin film heterojunction solar cell and a method of making it has a p-type layer of mixed ternary I-III-VI.sub.2 semiconductor material in contact with an n-type layer of mixed binary II-VI semiconductor material. The p-type semiconductor material includes a low resistivity copper-rich region adjacent the back metal contact of the cell and a composition gradient providing a minority carrier mirror that improves the photovoltaic performance of the cell. The p-type semiconductor material preferably is CuInGaSe.sub.2 or CuIn(SSe).sub.2.

  2. High efficiency polymer light-emitting diodes using ternary electron injection layers

    NASA Astrophysics Data System (ADS)

    Wen, Ten-Chin; Tsai, Kai-Wei; Jan, Jiun-Yun; Guo, Tzung-Fang

    2016-02-01

    The high efficiency of polymer light-emitting diodes (PLED) with ternary electron injection layers (EILs) including tetraoctylammonium bromide (TOAB), poly (vinylpyrrolidone) (PVP) and polyethylenimine (PEIE) to comprise PEIE-PVP-TOAB (E-P-T) EIL that has been achieved and well-studied via mixture design. In the unary system, TOAB can construct interfacial dipole via self-assembly crystallization atop various conjugated polymer surfaces to elevate the vacuum level of cathode. When employing three EILs as ternary system, the electrical property of PLED was further improved. The optimum luminescence efficiency respectively are 13.4 cd/A and 13.5 cd/A for T-P-D and E-P-T based PLED. In the ternary system (E-P-T), PEIE , PVP, and TOAB respectively provides electron injection, hole blocking, and polymer intersecting in the ternary based devices. The intersecting between PEIE and PVP by TOAB was evidenced by roughness change from AFM images.

  3. Synergistic effect of the core-shell structured Sn/SnO2/C ternary anode system with the improved sodium storage performance

    NASA Astrophysics Data System (ADS)

    Cheng, Yayi; Huang, Jianfeng; Li, Jiayin; Xu, Zhanwei; Cao, Liyun; Qi, Hui

    2016-08-01

    Sn/SnO2/C ternary composite with core-shell structures is synthesized using a hydrothermal method and subsequent heat treatment at 973 K. This Sn/SnO2/C composite exhibits the micro-sphere structure that nanosized Sn and SnO2 particles are well encapsulated in the carbon matrix. As anode for sodium-ion batteries, the composite displays superior cycling stability and rate capability to SnO2/C and Sn/C composites. It delivers a high initial discharge capacity of 1110 mAh g-1 with good cyclability. Even at a high current density of 1000 mA g-1, a reversible capacity of 120 mAh g-1 is still remained. The enhanced sodium storage performance of Sn/SnO2/C anode is attributed to the synergistic effect provided by Sn, SnO2 and unique core-shell structure. Since the deformation of Sn can increase the reversible capacity of the SnO2 electrode and the carbon matrix could act as a buffer to accommodate the volume change.

  4. Synergistic effect of the core-shell structured Sn/SnO2/C ternary anode system with the improved sodium storage performance

    NASA Astrophysics Data System (ADS)

    Cheng, Yayi; Huang, Jianfeng; Li, Jiayin; Xu, Zhanwei; Cao, Liyun; Qi, Hui

    2016-08-01

    Sn/SnO2/C ternary composite with core-shell structures is synthesized using a hydrothermal method and subsequent heat treatment at 973 K. This Sn/SnO2/C composite exhibits the micro-sphere structure that nanosized Sn and SnO2 particles are well encapsulated in the carbon matrix. As anode for sodium-ion batteries, the composite displays superior cycling stability and rate capability to SnO2/C and Sn/C composites. It delivers a high initial discharge capacity of 1110 mAh g-1 with good cyclability. Even at a high current density of 1000 mA g-1, a reversible capacity of 120 mAh g-1 is still remained. The enhanced sodium storage performance of Sn/SnO2/C anode is attributed to the synergistic effect provided by Sn, SnO2 and unique core-shell structure. Since the deformation of Sn can increase the reversible capacity of the SnO2 electrode and the carbon matrix could act as a buffer to accommodate the volume change.

  5. The comparison of binary- and ternary-fission configurations close to the instant of scission

    NASA Astrophysics Data System (ADS)

    Guseva, I. S.; Gagarski, A. M.; Gusev, Yu. I.; Petrov, G. A.; Valski, G. V.

    2013-07-01

    A new way to bring into comparison the binary- and ternary-fission configurations is proposed. The method is founded on recently discovered ROT effect. The angle of fission axis deflection from its initial orientation at the moment of scission comes into existence as a result of dividing system rotation and carries information about fissioning nucleus deformation. The comparison of proper angles for binary and ternary fission can be used to estimate the difference in the rupture configurations.

  6. High pressure synthesis and properties of ternary titanium (III) fluorides in the system KF-TiF{sub 3} containing regular pentagonal bipyramids [TiF{sub 7}

    SciTech Connect

    Yamanaka, Shoji; Yasuda, Akira; Miyata, Hajime

    2010-01-15

    Titanium trifluoride TiF{sub 3} has the distorted ReO{sub 3} structure composed of corner sharing TiF{sub 6} octahedra linked with Ti-F-Ti bridges. Potassium fluoride KF was inserted into the bridges using high-pressure and high-temperature conditions (5 GPa, 1000-1200 deg. C). When the molar ratio KF/TiF{sub 3}>=1, a few low dimensional compounds were obtained forming non-bridged F ions. At the composition KF/TiF{sub 3}=1/2, a new compound KTi{sub 2}F{sub 7} was formed, which crystallizes with the space group Cmmm and the lattice parameters of a=6.371(3), b=10.448(6), c=3.958(2) A, consisting of edge-sharing pentagonal bipyramids [TiF{sub 7}] forming ribbons running along the a axis. The ribbons are linked by corners to construct a three-dimensional framework without forming non-bridged F ions. The compound is antiferromagnetic with the Neel temperature T{sub N}=75 K, and the optical band gap was 6.4 eV. A new fluoride K{sub 2}TiF{sub 5} (KF/TiF{sub 3}=2) with the space group Pbcn and the lattice parameters of a=7.4626(2), b=12.9544(4) and c=20.6906(7) A was also obtained by the high pressure and high temperature treatment (5 GPa at 1000 deg. C) of a molar mixture of 2 KF+TiF{sub 3}. The compound contains one-dimensional chains of corner-sharing TiF{sub 6} octahedra. - Graphical Abstract: A new ternary fluoride KTi{sub 2}F{sub 7} has been developed under high-pressure and high-temperature conditions, which contains pentagonal bipyramid polyhedra [TiF{sub 7}].

  7. TERNARY ALLOY-CONTAINING PLUTONIUM

    DOEpatents

    Waber, J.T.

    1960-02-23

    Ternary alloys of uranium and plutonium containing as the third element either molybdenum or zirconium are reported. Such alloys are particularly useful as reactor fuels in fast breeder reactors. The alloy contains from 2 to 25 at.% of molybdenum or zirconium, the balance being a combination of uranium and plutonium in the ratio of from 1 to 9 atoms of uranlum for each atom of plutonium. These alloys are prepared by melting the constituent elements, treating them at an elevated temperature for homogenization, and cooling them to room temperature, the rate of cooling varying with the oomposition and the desired phase structure. The preferred embodiment contains 12 to 25 at.% of molybdenum and is treated by quenching to obtain a body centered cubic crystal structure. The most important advantage of these alloys over prior binary alloys of both plutonium and uranium is the lack of cracking during casting and their ready machinability.

  8. The complex stoichiometry of ternary alloys: What lies beyond the canonical Bernoulli distribution?

    NASA Astrophysics Data System (ADS)

    Robouch, B. V.; Marcelli, A.; Cordeiro Raposo, F.; Robouch, P.; Kisiel, A.; Di Giambattista, L.

    2014-08-01

    Structural properties of ternary alloys (C1-xC‧x)Im depend on relative configuration probabilities that change with the relative content x. Relative configuration probabilities depend on the intensity of site occupation preferences. Several ternary systems show ideal quasi-canonical Bernoulli distributions of their configuration, while others are characterized by extreme preferences in which one, several or even all configurations are depressed or even lacking. In cases with extreme preferences, only two binary configurations (CIm and C‧Im) occur, with no ternary configuration formed. We discuss here in a statistical framework the site occupation preferences of 16 ternary alloys with B3, B4, L12 and C15 crystallographic structures pointing out the observed deviations from the ideal Bernoulli distribution.

  9. Ternary transition metal phosphides: High-temperature superconductors

    PubMed Central

    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. PMID:16592838

  10. Experimental Investigation of Ternary Alloys for Fusion Breeding Blankets

    SciTech Connect

    Choi, B. William; Chiu, Ing L.

    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.

  11. Conjugated Polymer-Small Molecule Alloy Leads to High Efficient Ternary Organic Solar Cells.

    PubMed

    Zhang, Jianqi; Zhang, Yajie; Fang, Jin; Lu, Kun; Wang, Zaiyu; Ma, Wei; Wei, Zhixiang

    2015-07-01

    Ternary organic solar cells are promising candidates for bulk heterojunction solar cells; however, improving the power conversion efficiency (PCE) is quite challenging because the ternary system is complicated on phase separation behavior. In this study, a ternary organic solar cell (OSC) with two donors, including one polymer (PTB7-Th), one small molecule (p-DTS(FBTTH2)2), and one acceptor (PC71BM), is fabricated. We propose the two donors in the ternary blend forms an alloy. A notable averaged PCE of 10.5% for ternary OSC is obtained due to the improvement of the fill factor (FF) and the short-circuit current density (J(sc)), and the open-circuit voltage (V(oc)) does not pin to the smaller V(oc) of the corresponding binary blends. A highly ordered face-on orientation of polymer molecules is obtained due to the formation of an alloy structure, which facilitates the enhancement of charge separation and transport and the reduction of charge recombination. This work indicates that a high crystallinity and the face-on orientation of polymers could be obtained by forming alloy with two miscible donors, thus paving a way to largely enhance the PCE of OSCs by using the ternary blend strategy.

  12. Mechanism of ternary breakup in the reaction {sup 197}Au+{sup 197}Au at 15A MeV

    SciTech Connect

    Tian Junlong; Wu Xizhen; Li Zhuxia; Zhao Kai; Zhang Yingxun; Li Xian; Yan Shiwei

    2010-11-15

    The mechanism of the ternary breakup of the very heavy system {sup 197}Au+{sup 197}Au at an energy of 15A MeV has been studied by using the improved quantum molecular dynamics model. The calculation results reproduce the characteristic features in ternary breakup events explored in a series of experiments; i.e., the masses of three fragments are comparable in size and the very fast, nearly collinear breakup of the colliding system is dominant in the ternary breakup events. Further, the evolution of the time scales of different ternary reaction modes and the behavior of mass distributions of three fragments with impact parameters are studied. The time evolution of the configurations of the composite reaction systems is also studied. We find that for most of the ternary breakup events with the features found in the experiments, the configuration of the composite system has two-preformed-neck shape. The study shows that those ternary breakup events having the characteristic features found in the experiments happen at relatively small impact parameter reactions, but not at peripheral reactions. The ternary breakup reaction at peripheral reactions belongs to binary breakup with a neck emission.

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

    PubMed

    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. Glass formation and high conductivity in the ternary system AgI + Ag/sub 3/AsO/sub 4/ + AgPO/sub 3/: host to glassy AgI

    SciTech Connect

    Martin, S.W.; Schiraldi, A.

    1985-05-09

    Wide regions of glass formation have been found in the ternary system xAgI + yAg/sub 3/AsO/sub 4/ + (1 - x - y)AgPO/sub 3/. Glasses containing up to 75 mol % AgI can be formed in sections greater than 2 cm thick without signs of devitrification. Glass transition temperatures as high as 175/sup 0/C for glasses containing approx. 10 mol% AgI fall to approx. 45/sup 0/C at the highest AgI content. An equivalent ratio of AgI:N is defined and it is found that, for all glass-forming compositions, the electrical data as expressed in the Arrhenius form, sigma = A exp(-E/sub act/RT), log (sigma/omega cm)/sup -1/), log (A/omega cm)/sup -1/), E/sub act//(kcal mol/sup -1/), and additionally T/sub g/K, can be described as linear functions of N. These data are used to give support to the view of these glasses as being hosts to a liquidlike AgI giving rise to the high conductivity they exhibit, as high as 0.0143 (omega cm)/sup -1/ at room temperature for glasses containing the maximum AgI. Finally, from these linear relationships, functions for the mobility ..mu.. and number of the mobile Ag/sup +/ cations n are developed. 29 references, 8 figures, 2 tables.

  15. RNA polymerase II ternary transcription complexes generated in vitro.

    PubMed Central

    Ackerman, S; Bunick, D; Zandomeni, R; Weinmann, R

    1983-01-01

    Ternary transcription complexes have been formed with a HeLa cell extract, a specific DNA template, and nucleoside triphosphates. The assay depends on the formation of sarkosyl-resistant initiation complexes which contain RNA polymerase II, template DNA, and radioactive nucleoside triphosphates. Separation from the other elements in the in vitro reaction is achieved by electrophoresis in agarose - 0.25% sarkosyl gels. The mobility of the ternary complexes in this system cannot be distinguished from naked DNA. Formation of this complex is dependent on all parameters necessary for faithful in vitro transcription. Complexes are formed with both the plasmid vector and the specific adenovirus DNA insert containing a eucaryotic promoter. The formation of the complex on the eucaryotic DNA is sequence-dependent. An undecaribonucleotide predicted from the template DNA sequence remains associated with the DNA in the ternary complex and can be isolated if the chain terminator 3'-0-methyl GTP is used, or after T1 ribonuclease treatment of the RNA, or if exogenous GTP is omitted from the in vitro reaction. This oligonucleotide is not detected in association with the plasmid vector. Phosphocellulose fractionation of the extract indicates that at least one of the column fractions required for faithful runoff transcription is required for complex formation. A large molar excess of abortive initiation events was detected relative to the level of productive transcription events, indicating a 40-fold higher efficiency of transcription initiation vs. elongation. Images PMID:6193489

  16. Optimal Symmetric Ternary Quantum Encryption Schemes

    NASA Astrophysics Data System (ADS)

    Wang, Yu-qi; She, Kun; Huang, Ru-fen; Ouyang, Zhong

    2016-07-01

    In this paper, we present two definitions of the orthogonality and orthogonal rate of an encryption operator, and we provide a verification process for the former. Then, four improved ternary quantum encryption schemes are constructed. Compared with Scheme 1 (see Section 2.3), these four schemes demonstrate significant improvements in term of calculation and execution efficiency. Especially, under the premise of the orthogonal rate ɛ as secure parameter, Scheme 3 (see Section 4.1) shows the highest level of security among them. Through custom interpolation functions, the ternary secret key source, which is composed of the digits 0, 1 and 2, is constructed. Finally, we discuss the security of both the ternary encryption operator and the secret key source, and both of them show a high level of security and high performance in execution efficiency.

  17. Organic ternary solar cells: a review.

    PubMed

    Ameri, Tayebeh; Khoram, Parisa; Min, Jie; Brabec, Christoph J

    2013-08-21

    Recently, researchers have paid a great deal of attention to the research and development of organic solar cells, leading to a breakthrough of over 10% power conversion efficiency. Though impressive, further development is required to ensure a bright industrial future for organic photovoltaics. Relatively narrow spectral overlap of organic polymer absorption bands within the solar spectrum is one of the major limitations of organic solar cells. Among different strategies that are in progress to tackle this restriction, the novel concept of ternary organic solar cells is a promising candidate to extend the absorption spectra of large bandgap polymers to the near IR region and to enhance light harvesting in single bulk-heterojunction solar cells. In this contribution, we review the recent developments in organic ternary solar cell research based on various types of sensitizers. In addition, the aspects of miscibility, morphology complexity, charge transfer dynamics as well as carrier transport in ternary organic composites are addressed.

  18. Numerical prediction of the thermodynamic properties of ternary Al-Ni-Hf alloys

    NASA Astrophysics Data System (ADS)

    Romanowska, Jolanta; Kotowski, Sławomir; Zagula-Yavorska, Maryana

    2014-10-01

    Thermodynamic properties of ternary Al-Hf-Ni system, such as exG, μAl, μNi and μZr at 1373K were predicted on the basis of thermodynamic properties of binary systems included in the investigated ternary system. The idea of predicting exG values was regarded as the calculation of excess Gibbs energy values inside a certain area (a Gibbs triangle) unless all boundary conditions, that is values of exG on all legs of the triangle are known. exG and Lijk ternary interaction parameters in the Muggianu extension of the Redlich-Kister formalism are calculated numerically using Wolfram Mathematica 9 software.

  19. Numerical prediction of the thermodynamic properties of ternary Al-Ni-Hf alloys

    SciTech Connect

    Romanowska, Jolanta; Kotowski, Sławomir; Zagula-Yavorska, Maryana

    2014-10-06

    Thermodynamic properties of ternary Al-Hf-Ni system, such as {sup ex}G, μ{sub Al}, μ{sub Ni} and μ{sub Zr} at 1373K were predicted on the basis of thermodynamic properties of binary systems included in the investigated ternary system. The idea of predicting {sup ex}G values was regarded as the calculation of excess Gibbs energy values inside a certain area (a Gibbs triangle) unless all boundary conditions, that is values of {sup ex}G on all legs of the triangle are known. {sup ex}G and L{sub ijk} ternary interaction parameters in the Muggianu extension of the Redlich-Kister formalism are calculated numerically using Wolfram Mathematica 9 software.

  20. Ternary fission of nuclei into comparable fragments

    SciTech Connect

    Karpeshin, F. F.

    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.

  1. Ternary fission of nuclei into comparable fragments

    NASA Astrophysics Data System (ADS)

    Karpeshin, F. F.

    2015-07-01

    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.

  2. Single Crystal Fibers of Yttria-Stabilized Cubic Zirconia with Ternary Oxide Additions

    NASA Technical Reports Server (NTRS)

    Ritzert, F. J.; Yun, H. M.; Miner, R. V.

    1997-01-01

    Single crystal fibers of yttria (Y2O3)-stabilized cubic zirconia, (ZrO2) with ternary oxide additions were grown using the laser float zone fiber processing technique. Ternary additions to the ZrO2-Y2O3 binary system were studied aimed at increasing strength while maintaining the high coefficient of thermal expansion of the binary system. Statistical methods aided in identifying the most promising ternary oxide candidate (Ta2O5, Sc2O3, and HfO2) and optimum composition. The yttria, range investigated was 14 to 24 mol % and the ternary oxide component ranged from 1 to 5 mol %. Hafnium oxide was the most promising ternary oxide component based on 816 C tensile strength results and ease of fabrication. The optimum composition for development was 81 ZrO2-14 Y203-5 HfO2 based upon the same elevated temperature strength tests. Preliminary results indicate process improvements could improve the fiber performance. We also investigated the effect of crystal orientation on strength.

  3. REMOVAL OF ADDED NITRATE IN THE SINGLE, BINARY, AND TERNARY SYSTEMS OF COTTON BURR COMPOST, ZEROVALENT IRON, AND SEDIMENT: IMPLICATIONS FOR GROUNDWATER NITRATE REMEDIATION USING PERMEABLE REACTIVE BARRIERS

    EPA Science Inventory

    Recent research has shown that carbonaceous solid materials and zerovalent iron (Fe0) may potentially be used as media in permeable reactive barriers (PRBs) to degrade groundwater nitrate via heterotrophic denitrification in the solid carbon system, and via abiotic reduction and ...

  4. Plutonium microstructures. Part 2. Binary and ternary alloys

    SciTech Connect

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

    1983-12-01

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

  5. Improved model systems for bacterial membranes from differing species: the importance of varying composition in PE/PG/cardiolipin ternary mixtures.

    PubMed

    Lopes, Silvia C; Neves, Cristina S; Eaton, Peter; Gameiro, Paula

    2012-09-01

    Steady-state fluorescence anisotropy and dynamic light scattering (DLS) were used to determine the thermotropic properties of lipid systems that act as models for bacterial membranes of Yersinia kristensenii and Proteus mirabilis. Lipid proportions of PE:PG:CL of 0.60:0.20:0.20 and 0.80:0.15:0.05, were used in order to mimic these two membranes respectively. We observed that the introduction of cardiolipin (CL) as a third lipid component of any PE:PG mixture, changes the system's properties considerably. The results obtained by these two techniques show that the main transition temperatures obtained are undoubtedly CL-dependent. Additionally AFM experiments were performed and these results show that even at small concentration CL produces important changes not only in the membrane thermotropic properties, but also in the bilayer structure. In summary, we were able to compare how low and high CL concentration affect bacterial membrane model system properties which can provide a further explanation for the different antibiotic susceptibilities reported for Y. kristensenii and P. mirabilis.

  6. Preparation and In Vitro/In Vivo Characterization of Porous Sublingual Tablets Containing Ternary Kneaded Solid System of Vinpocetine with β-Cyclodextrin and Hydroxy Acid

    PubMed Central

    Aburahma, Mona H.; El-Laithy, Hanan M.; Hamza, Yassin El-Said

    2010-01-01

    The demand for sublingual tablets has been growing during the previous decades especially for drugs with extensive hepatic first-pass metabolism. Vinpocetine, a widely used neurotropic agent, has low oral bioavailability due to its poor aqueous solubility and marked first-pass metabolism. Accordingly, the aim of this work was to develop tablets for the sublingual delivery of vinpocetine. Initially, the feasibility of improving vinpocetine’s poor aqueous solubility by preparing kneaded solid systems of the drug with β-Cyclodextrin and hydroxy acids (citric acid and tartaric acid) was assessed. The solid system with improved solubility and dissolution properties was incorporated into porous tablets that rapidly disintegrate permitting fast release of vinpocetine into the sublingual cavity. The pores were induced into these tablets by directly compressing the tablets’ excipients with a sublimable material, either camphor or menthol, which was eventually sublimated leaving pores. The obtained results demonstrated that the tablets prepared using camphor attained sufficient mechanical strength for practical use together with rapid disintegration and dissolution. In vivo absorption study performed in rabbits indicated that the sublingual administration of the proposed porous tablets containing vinpocetine solid system with β-Cyclodextrin and tartaric acid could be useful for therapeutic application. PMID:21179352

  7. Ternary Dy-Er-Al magnetic refrigerants

    DOEpatents

    Gschneidner, Jr., Karl A.; Takeya, Hiroyuki

    1995-07-25

    A ternary magnetic refrigerant material comprising (Dy.sub.1-x Er.sub.x)Al.sub.2 for a magnetic refrigerator using the Joule-Brayton thermodynamic cycle spanning a temperature range from about 60K to about 10K, which can be adjusted by changing the Dy to Er ratio of the refrigerant.

  8. Ternary rare earth-lanthanide sulfides

    DOEpatents

    Takeshita, Takuo; Gschneidner JR., Karl A.; Beaudry, Bernard J.

    1987-01-06

    A new ternary rare earth sulfur compound having the formula: where M is a rare earth element selected from the group europium, samarium and ytterbium and x=0.15 to 0.8. The compound has good high-temperature thermoelectric properties and exhibits long-term structural stability up to 1000.degree. C.

  9. Ternary Dy-Er-Al magnetic refrigerants

    DOEpatents

    Gschneidner, K.A. Jr.; Takeya, Hiroyuki

    1995-07-25

    A ternary magnetic refrigerant material comprising (Dy{sub 1{minus}x}Er{sub x})Al{sub 2} for a magnetic refrigerator using the Joule-Brayton thermodynamic cycle spanning a temperature range from about 60K to about 10K, which can be adjusted by changing the Dy to Er ratio of the refrigerant. 29 figs.

  10. Does Science Also Prefer a Ternary Pattern?

    ERIC Educational Resources Information Center

    Pogliani, L.; Klein, D. J.; Balaban, A. T.

    2006-01-01

    Through the importance of the number three in our culture and the strange preference for a ternary pattern of our nature one can perceive how and why number theory degraded to numerology. The strong preference of our minds for simple patterns can be read as the key to understanding not only the development of numerology, but also why scientists…

  11. TERNARY ALLOYS OF URANIUM, COLUMBIUM, AND ZIRCONIUM

    DOEpatents

    Foote, F.G.

    1960-08-01

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

  12. Optical microinterferometry method for evaluation of phase state and diffusion in ternary systems: phase separation in cellulose/N-Methylmorpholine-N-oxide/non-solvent mixtures

    NASA Astrophysics Data System (ADS)

    Makarova, V. V.; Antonov, S. V.; Anokhina, T. A.; Volkov, V. V.

    2016-09-01

    Microinterferometry technique was used to evaluate the phase state and diffusion of cellulose solutions N-Methylmorpholine-N-oxide upon contact with non-solvents (water and aqueous solutions of isopropyl alcohol). The method was helpful in visualization of the structure of the forming cellulose film in connection with the diffusivity of the components of the systems. The interdiffusion coefficient were determined. Isopropyl alcohol addition to water slows down the diffusion of the coagulant into the cellulose solution thus delaying cellulose precipitation. Increase of temperature leads to formation of less dense cellulose film morphology with large vacuoles.

  13. Internal nitridation of nickel-base alloys. Part 1: Behavior of binary and ternary alloys of the Ni-Cr-Al-Ti system

    SciTech Connect

    Krupp, U.; Christ, H.J.

    1999-10-01

    The internal-nitriding behavior of several model alloys of the Ni-Cr-Al-Ti system in an oxygen-free nitrogen atmosphere at 800--1100 C was studied. Thermogravimetry as well as various metallographic techniques (SEM and TEM) were used. It was shown that both the nitrogen solubility and the nitrogen diffusion coefficient are strongly affected by the Cr content of the Ni alloy. Hence, in Ni-Cr-Ti alloys a higher chromium content leads to an increased depth of the internal precipitation of TiN. Nitridation of the alloying element Cr takes place only at high concentrations of Cr. In general, the nitridation rate was found to obey Wagner`s parabolic rate law of internal oxidation. Changes in the parabolic rate constant with alloy composition can be understood by means of thermodynamic calculations in combination with microstructural observations.

  14. Amorphous stabilization and dissolution enhancement of amorphous ternary solid dispersions: combination of polymers showing drug-polymer interaction for synergistic effects.

    PubMed

    Prasad, Dev; Chauhan, Harsh; Atef, Eman

    2014-11-01

    The purpose of this study was to understand the combined effect of two polymers showing drug-polymer interactions on amorphous stabilization and dissolution enhancement of indomethacin (IND) in amorphous ternary solid dispersions. The mechanism responsible for the enhanced stability and dissolution of IND in amorphous ternary systems was studied by exploring the miscibility and intermolecular interactions between IND and polymers through thermal and spectroscopic analysis. Eudragit E100 and PVP K90 at low concentrations (2.5%-40%, w/w) were used to prepare amorphous binary and ternary solid dispersions by solvent evaporation. Stability results showed that amorphous ternary solid dispersions have better stability compared with amorphous binary solid dispersions. The dissolution of IND from the ternary dispersion was substantially higher than the binary dispersions as well as amorphous drug. Melting point depression of physical mixtures reveals that the drug was miscible in both the polymers; however, greater miscibility was observed in ternary physical mixtures. The IR analysis confirmed intermolecular interactions between IND and individual polymers. These interactions were found to be intact in ternary systems. These results suggest that the combination of two polymers showing drug-polymer interaction offers synergistic enhancement in amorphous stability and dissolution in ternary solid dispersions.

  15. Pharmacokinetics of a paclitaxel-loaded low molecular weight heparin-all-trans-retinoid acid conjugate ternary nanoparticulate drug delivery system.

    PubMed

    Hou, Lin; Yao, Jing; Zhou, Jianping; Zhang, Qiang

    2012-07-01

    Amphiphilic low molecular weight heparin-all-trans-retinoid acid (LHR) conjugate, as a drug carrier for cancer therapy, was found to have markedly low toxicity and to form self-assembled nanoparticles for simultaneous delivery of paclitaxel (PTX) and all-trans-retinoid acid (ATRA) in our previous study. In the present study, PTX-loaded LHR nanoparticles were prepared and demonstrated a spherical shape with particle size of 108.9 nm. Cellular uptake analysis suggested rapid internalization and nuclear transport of LHR nanoparticles. In order to investigate the dynamic behaviors and targeting ability of LHR nanoparticles on tumor-bearing mice, near-infrared fluorescent (NIFR) dye DiR was encapsulated into the nanoparticles for ex vivo optical imaging. The results indicated that LHR nanoparticles could enhance the targeting and residence time in tumor site. Furthermore, in vivo biodistribution study also showed that the area under the plasma concentration time curve (AUC (0→inf)) values of PTX and ATRA for PTX-loaded LHR nanoparticles in tumor were 1.56 and 1.62-fold higher than those for PTX plus ATRA solution. Finally, PTX-loaded LHR nanoparticles demonstrated greater tumor growth inhibition effect in vivo without unexpected side effects, compared to PTX solution and PTX plus ATRA solution. These results suggest that PTX-loaded LHR nanoparticles can be considered as promising targeted delivery system for combination cancer chemotherapy to improve therapeutic efficacy and minimize adverse effects.

  16. Thermodynamic Approach to Phase Coexistence in Ternary Phospholipid-Cholesterol Mixtures

    NASA Astrophysics Data System (ADS)

    Wolff, J.; Marques, C. M.; Thalmann, F.

    2011-03-01

    We introduce a simple and predictive model for determining the phase stability of ternary phospholipid-cholesterol mixtures. Assuming that competition between the liquid and gel order of the phospholipids is the main driving force behind lipid segregation, we derive a Gibbs free energy of mixing, based on the thermodynamic properties of the lipids main transition. A numerical approach was devised that enables the fast and efficient determination of the ternary diagrams associated with our Gibbs free energy. The computed phase coexistence diagram of DOPC/DPPC/cholesterol reproduces well-known features for this system at 10°C, as well as its evolution with temperature.

  17. Isothermal sections of the quasi-ternary systems Ag2S(Se)-Ga2S(Se)3-In2S(Se)3 at 820 K and the physical properties of the ternary phases Ga5.5In4.5S15, Ga6In4Se15 and Ga5.5In4.5S15:Er3+, Ga6In4Se15:Er3+

    NASA Astrophysics Data System (ADS)

    Ivashchenko, I. A.; Danyliuk, I. V.; Gulay, L. D.; Halyan, V. V.; Olekseyuk, I. D.

    2016-05-01

    Isothermal sections of the quasi-ternary systems Ag2S(Se)-Ga2S(Se)3-In2S(Se)3 at 820 K were compared. Along the 50 mol% Ag2S(Se), both systems feature continuous solid solutions with the chalcopyrite structure. Along the 17 mol% Ag2S(Se), the interactions at the AgIn5S(Se)8-"AgGa5S(Se)8" sections are different. In the Ag2S-Ga2S3-In2S3 system the existence of the layered phase AgGaxIn5-xS8, 2.25≤x≤2.85, was confirmed (S.G. P63mc). The Ag2Se-Ga2Se3-In2Se3 system features the formation of solid solution (up to 53 mol% Ga2Se3) based on AgIn5Se8 (S.G. P-42m). Crystal structure, atomic coordinates were determined by powder diffraction method for samples from the homogeneity region of AgIn5Se8. Specific conductivities of the crystals Ga6In4Se15 (1.33·10-6 Ω-1 m-1), Ga5.94In3.96Er0.1Se15 (3.17·10-6 Ω-1 m-1), Ga5.5In4.5S15 (7.94·10-6 Ω-1 m-1), Ga5.46In4.47Er0.07S15 (1·10-9 Ω-1 m-1) were measured at room temperature. Optical absorption and photoconductivity spectra were recorded in the range 400-760 nm. The introduction of erbium leads to an increase in the absorption coefficient and to the appearance of absorption bands at 530, 660, 810, 980, 1530 nm.

  18. Construction of Lines of Constant Density and Constant Refractive Index for Ternary Liquid Mixtures.

    ERIC Educational Resources Information Center

    Tasic, Aleksandar Z.; Djordjevic, Bojan D.

    1983-01-01

    Demonstrates construction of density constant and refractive index constant lines in triangular coordinate system on basis of systematic experimental determinations of density and refractive index for both homogeneous (single-phase) ternary liquid mixtures (of known composition) and the corresponding binary compositions. Background information,…

  19. Plasmonic spectral tunability of conductive ternary nitrides

    NASA Astrophysics Data System (ADS)

    Kassavetis, S.; Bellas, D. V.; Abadias, G.; Lidorikis, E.; Patsalas, P.

    2016-06-01

    Conductive binary transition metal nitrides, such as TiN and ZrN, have emerged as a category of promising alternative plasmonic materials. In this work, we show that ternary transition metal nitrides such as TixTa1-xN, TixZr1-xN, TixAl1-xN, and ZrxTa1-xN share the important plasmonic features with their binary counterparts, while having the additional asset of the exceptional spectral tunability in the entire visible (400-700 nm) and UVA (315-400 nm) spectral ranges depending on their net valence electrons. In particular, we demonstrate that such ternary nitrides can exhibit maximum field enhancement factors comparable with gold in the aforementioned broadband range. We also critically evaluate the structural features that affect the quality factor of the plasmon resonance and we provide rules of thumb for the selection and growth of materials for nitride plasmonics.

  20. Ternary rare earth-lanthanide sulfides

    DOEpatents

    Takeshita, Takuo; Gschneidner, Jr., Karl A.; Beaudry, Bernard J.

    1987-01-06

    A new ternary rare earth sulfur compound having the formula: La.sub.3-x M.sub.x S.sub.4 where M is a rare earth element selected from the group europium, samarium and ytterbium and x=0.15 to 0.8. The compound has good high-temperature thermoelectric properties and exhibits long-term structural stability up to 1000.degree. C.

  1. A high-throughput search for new ternary superalloys

    NASA Astrophysics Data System (ADS)

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

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

  2. Creation of ternary multicomponent crystals by exploitation of charge-transfer interactions.

    PubMed

    Seaton, Colin C; Blagden, Nicholas; Munshi, Tasnim; Scowen, Ian J

    2013-08-01

    Four new ternary crystalline molecular complexes have been synthesised from a common 3,5-dinitrobenzoic acid (3,5-dnda) and 4,4'-bipyridine (bipy) pairing with a series of amino-substituted aromatic compounds (4-aminobenzoic acid (4-aba), 4-(N,N-dimethylamino)benzoic acid (4-dmaba), 4-aminosalicylic acid (4-asa) and sulfanilamide (saa)). The ternary crystals were created through the application of complementary charge transfer and hydrogen-bonding interactions. For these systems a dimer was created through a charge-transfer interaction between two of the components, while hydrogen bonding between the third molecule and this dimer completed the construction of the ternary co-crystal. All resulting structures display the same acid⋅⋅⋅pyridine interaction between 3,5-dnba and bipy. However, changing the third component causes the proton of this bond to shift from neutral OH⋅⋅⋅N to a salt form, O(-) ⋅⋅⋅HN(+) , as the nature of the group hydrogen bonding to the carboxylic acid was changed. This highlights the role of the crystal environment on the level of proton transfer and the utility of ternary systems for the study of this process. PMID:23794534

  3. Physicochemical and molecular modeling studies of cefixime-L-arginine-cyclodextrin ternary inclusion compounds.

    PubMed

    Jadhav, Priyanka; Petkar, Bhushan; Pore, Yogesh; Kulkarni, Anita; Burade, Kishorkumar

    2013-11-01

    In an attempt to improve the physicochemical properties of cefixime (CEF), its supramolecular inclusion compounds were prepared with β-cyclodextrin (βCD) and hydroxypropyl-β-cyclodextrin (HPβCD) in presence and/or absence of ternary component L-arginine (ARG) using spray drying technique. Initially, the phase solubility studies revealed a stoichiometry of 1:1 molar ratio with an AL-type of phase solubility curve. The stability constants of binary systems were remarkably improved in presence of ARG, indicating positive effect of its addition. The inclusion complexes were characterized by FTIR, XRPD, DSC, SEM, particle size analysis, and dissolution studies. Further, molecular mechanic (MM) calculations were performed to investigate the possible orientations of CEF inside βCD cavity in presence and/or absence of ternary component. In case of physicochemical studies, the ternary systems performed well as a result of comprehensive effect of ternary complexation and particle size reduction achieved by a spray drying technology.

  4. Triethanolamine Stabilization of Methotrexate-β-Cyclodextrin Interactions in Ternary Complexes

    PubMed Central

    Barbosa, Jahamunna A. A.; Zoppi, Ariana; Quevedo, Mario A.; de Melo, Polyanne N.; de Medeiros, Arthur S. A.; Streck, Letícia; de Oliveira, Alice R.; Fernandes-Pedrosa, Matheus F.; Longhi, Marcela R.; da Silva-Júnior, Arnóbio A.

    2014-01-01

    The interaction of methotrexate (MTX) with beta-cyclodextrin (β-CD) in the presence of triethanolamine (TEA) was investigated with the aim to elucidate the mechanism whereby self-assembly cyclodextrin systems work in association with this third component. Solubility diagram studies showed synergic increment of the MTX solubility to be about thirty-fold. Experiments using 2D ROESY and molecular modeling studies revealed the inclusion of aromatic ring III of the drug into β-CD cavity, in which TEA contributes by intensifying MTX interaction with β-CD and stabilizes MTX:β-CD:TEA ternary complex by electrostatic interaction. The maintenance of these interactions in solid phase was also studied in ternary MTX:β-CD:TEA and comparisons were made with freeze dried binary MTX:β-CD and physical mixtures. FTIR studies evidenced that MTX–β-CD interaction remained in solid ternary complexes, which was also supported by thermal (differential scanning calorimetry (DSC), thermogravimetric analysis (TG)/first derivative of TG analysis (DTG) and C,N,H elementary analysis) and structural (X-ray diffraction analysis, (XRD)) studies, mainly regarding the increment of drug stability. The efficient in vitro drug dissolution studies successfully demonstrated the contribution of ternary complexes, which highlights the importance of this possible new raw material for further applications in drug delivery systems. PMID:25257529

  5. Performance of CMOS ternary full adder at liquid nitrogen temperature

    NASA Astrophysics Data System (ADS)

    Srivastava, A.; Venkatapathy, K.

    We have designed, implemented and studied the performance at liquid nitrogen temperature (77 K) of a CMOS ternary full adder and its building blocks, the simple ternary inverter (STI), positive ternary inverter (PTI) and negative ternary inverter (NTI), and compared the corresponding performance at room temperature (300 K). The ternary full adder has been fabricated in 2 μm, n-well CMOS through MOSIS. In a ternary full adder, the basic building blocks, the PTI and NTI, have been developed using combinations of a CMOS inverter and transmission gate(s). There is close agreement between the simulated and measured voltage transfer characteristics and noise margins of ternary-valued devices. The measured transient times for the NTI, PTI and ternary full adder at 77 K show an improvement by a factor of ≈1.5-2.5 over the corresponding values at 300 K. The present design does not use linear resistors and depletion-mode MOSFETs to implement the ternary full adder and its building blocks, and is fully compatible with current CMOS technology.

  6. The Growth and Characterization of Germanium-Carbon Alloy Thin Films and Solid Phase Equilibria for Metal-Silicon - Ternary Systems: Magnesium, Calcium, Strontium, Barium, Scandium, Yttrium, Lanthanum, Titanium, Zirconium and Hafnium

    NASA Astrophysics Data System (ADS)

    Yuan, Haojie

    1992-09-01

    Thin films of pure germanium-carbon alloys (Ge _{rm x}C _{rm 1-x} with 0 <=q x <=q 1) have been grown on Si and Al_2O_3 substrates by pulsed laser ablation in a high vacuum chamber. The films were analyzed by x-ray 0-20 diffraction (XRD), x-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES), conductivity measurements and optical absorption spectroscopy. The analyses of these new materials showed that films of all compositions were amorphous, free of contamination and uniform in composition. By changing the film composition, the optical band gap of these semiconducting films was varied from 0.00 eV to 0.85 eV for x = 0.0 to 1.0 respectively. According to the AES results, the carbon atoms in the Ge-C alloy thin film samples have a bonding structure that is a mixture of sp^2 and sp^3 hybridizations. The presence of the sp^2 C is apparently what causes the bandgap of amorphous Ge-C alloys to decrease with increasing carbon concentration. The solidus portion of the ternary phase diagrams of the type M-Si-O, where M = Mg, Ca, Sr, Ba, Sc, Y, La, Ti, Zr and Hf have been derived at 298K and 1 atm oxygen partial pressure by investigating the bulk reactions possible in these systems. These phase diagrams, which have been determined by experiments and by calculations using thermodynamic data available, can be used to predict the occurrence of the reaction products or the stability of the phases present at the interfaces between different solid materials. Hence, they provide guides in designing thin film structures and in selecting candidate materials to form chemically stable interfaces. A research effort has been made on the investigation of the growth of diamond thin films from a carbon containing solid-CI_4, using laser ablation technique. The film grown by laser ablation from CI _4 is mainly composed of carbon with very small amount of oxygen and iodine as indicated by x-ray photoelectron spectroscopy data. The Auger electron spectroscopy result shows

  7. GaSb based ternary and quaternary diffused junction devices for TPV applications

    SciTech Connect

    Sundaram, V.S.; Saban, S.B.; Morgan, M.D.; Horne, W.E.; Evans, B.D.; Ketterl, J.R.; Morosini, M.B.; Patel, N.B.; Field, H.

    1997-03-01

    In this work we report the characteristics of ternary, GaInSb (Eg=0.70eV) and quarternary, GaInAsSb (Eg=0.5eV) diffused junction photovoltaic devices. The unique feature of the quarternary device is the extended long-wavelength response to 2.1 microns enabling the efficient use of the blackbody-like thermal sources operating at 1373 K in thermophotovoltaic energy conversion systems. The ternary device was fabricated by diffusing zinc into a n-type (100) oriented GaInSb substrate. For the quarternary, a four micron thick Te doped GaInAsSb layer grown by LPE on a n-type GaSb(100) wafer was used as the starting substrate for zinc diffusion. The ternary device exhibits an open circuit voltage of 0.38 V, Fill Factor of 0.63 and a short circuit current of 0.8A/cm{sup 2}, while the corresponding values for the quarternary device are 0.25 V, 0.58 and 0.8A/cm{sup 2}, respectively. The peak internal quantum efficiency for the ternary is over 90{percent} and that of the quarternary is above 75{percent}. Process optimization should improve the performance charcateristics of the quarternary. {copyright} {ital 1997 American Institute of Physics.}

  8. Solid-state characterization and dissolution properties of meloxicam-moringa coagulant-PVP ternary solid dispersions.

    PubMed

    Noolkar, Suhail B; Jadhav, Namdeo R; Bhende, Santosh A; Killedar, Suresh G

    2013-06-01

    The effect of ternary solid dispersions of poor water-soluble NSAID meloxicam with moringa coagulant (obtained by salt extraction of moringa seeds) and polyvinylpyrrolidone on the in vitro dissolution properties has been investigated. Binary (meloxicam-moringa and meloxicam-polyvinylpyrrolidone (PVP)) and ternary (meloxicam-moringa-PVP) systems were prepared by physical kneading and ball milling and characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, and X-ray diffractometry. The in vitro dissolution behavior of meloxicam from the different products was evaluated by means of United States Pharmacopeia type II dissolution apparatus. The results of solid-state studies indicated the presence of strong interactions between meloxicam, moringa, and PVP which were of totally amorphous nature. All ternary combinations were significantly more effective than the corresponding binary systems in improving the dissolution rate of meloxicam. The best performance in this respect was given by the ternary combination employing meloxicam-moringa-PVP ratio of [1:(3:1)] prepared by ball milling, with about six times increase in percent dissolution rate, whereas meloxicam-moringa (1:3) and meloxicam-PVP (1:4) prepared by ball milling improved dissolution of meloxicam by almost 3- and 2.5-folds, respectively. The achieved excellent dissolution enhancement of meloxicam in the ternary systems was attributed to the combined effects of impartation of hydrophilic characteristic by PVP, as well as to the synergistic interaction between moringa and PVP. PMID:23483432

  9. Solid-state characterization and dissolution properties of meloxicam-moringa coagulant-PVP ternary solid dispersions.

    PubMed

    Noolkar, Suhail B; Jadhav, Namdeo R; Bhende, Santosh A; Killedar, Suresh G

    2013-06-01

    The effect of ternary solid dispersions of poor water-soluble NSAID meloxicam with moringa coagulant (obtained by salt extraction of moringa seeds) and polyvinylpyrrolidone on the in vitro dissolution properties has been investigated. Binary (meloxicam-moringa and meloxicam-polyvinylpyrrolidone (PVP)) and ternary (meloxicam-moringa-PVP) systems were prepared by physical kneading and ball milling and characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, and X-ray diffractometry. The in vitro dissolution behavior of meloxicam from the different products was evaluated by means of United States Pharmacopeia type II dissolution apparatus. The results of solid-state studies indicated the presence of strong interactions between meloxicam, moringa, and PVP which were of totally amorphous nature. All ternary combinations were significantly more effective than the corresponding binary systems in improving the dissolution rate of meloxicam. The best performance in this respect was given by the ternary combination employing meloxicam-moringa-PVP ratio of [1:(3:1)] prepared by ball milling, with about six times increase in percent dissolution rate, whereas meloxicam-moringa (1:3) and meloxicam-PVP (1:4) prepared by ball milling improved dissolution of meloxicam by almost 3- and 2.5-folds, respectively. The achieved excellent dissolution enhancement of meloxicam in the ternary systems was attributed to the combined effects of impartation of hydrophilic characteristic by PVP, as well as to the synergistic interaction between moringa and PVP.

  10. Utilizing Energy Transfer in Binary and Ternary Bulk Heterojunction Organic Solar Cells.

    PubMed

    Feron, Krishna; Cave, James M; Thameel, Mahir N; O'Sullivan, Connor; Kroon, Renee; Andersson, Mats R; Zhou, Xiaojing; Fell, Christopher J; Belcher, Warwick J; Walker, Alison B; Dastoor, Paul C

    2016-08-17

    Energy transfer has been identified as an important process in ternary organic solar cells. Here, we develop kinetic Monte Carlo (KMC) models to assess the impact of energy transfer in ternary and binary bulk heterojunction systems. We used fluorescence and absorption spectroscopy to determine the energy disorder and Förster radii for poly(3-hexylthiophene-2,5-diyl), [6,6]-phenyl-C61-butyric acid methyl ester, 4-bis[4-(N,N-diisobutylamino)-2,6-dihydroxyphenyl]squaraine (DIBSq), and poly(2,5-thiophene-alt-4,9-bis(2-hexyldecyl)-4,9-dihydrodithieno[3,2-c:3',2'-h][1,5]naphthyridine-5,10-dione). Heterogeneous energy transfer is found to be crucial in the exciton dissociation process of both binary and ternary organic semiconductor systems. Circumstances favoring energy transfer across interfaces allow relaxation of the electronic energy level requirements, meaning that a cascade structure is not required for efficient ternary organic solar cells. We explain how energy transfer can be exploited to eliminate additional energy losses in ternary bulk heterojunction solar cells, thus increasing their open-circuit voltage without loss in short-circuit current. In particular, we show that it is important that the DIBSq is located at the electron donor-acceptor interface; otherwise charge carriers will be trapped in the DIBSq domain or excitons in the DIBSq domains will not be able to dissociate efficiently at an interface. KMC modeling shows that only small amounts of DIBSq (<5% by weight) are needed to achieve substantial performance improvements due to long-range energy transfer. PMID:27456294

  11. Utilizing Energy Transfer in Binary and Ternary Bulk Heterojunction Organic Solar Cells.

    PubMed

    Feron, Krishna; Cave, James M; Thameel, Mahir N; O'Sullivan, Connor; Kroon, Renee; Andersson, Mats R; Zhou, Xiaojing; Fell, Christopher J; Belcher, Warwick J; Walker, Alison B; Dastoor, Paul C

    2016-08-17

    Energy transfer has been identified as an important process in ternary organic solar cells. Here, we develop kinetic Monte Carlo (KMC) models to assess the impact of energy transfer in ternary and binary bulk heterojunction systems. We used fluorescence and absorption spectroscopy to determine the energy disorder and Förster radii for poly(3-hexylthiophene-2,5-diyl), [6,6]-phenyl-C61-butyric acid methyl ester, 4-bis[4-(N,N-diisobutylamino)-2,6-dihydroxyphenyl]squaraine (DIBSq), and poly(2,5-thiophene-alt-4,9-bis(2-hexyldecyl)-4,9-dihydrodithieno[3,2-c:3',2'-h][1,5]naphthyridine-5,10-dione). Heterogeneous energy transfer is found to be crucial in the exciton dissociation process of both binary and ternary organic semiconductor systems. Circumstances favoring energy transfer across interfaces allow relaxation of the electronic energy level requirements, meaning that a cascade structure is not required for efficient ternary organic solar cells. We explain how energy transfer can be exploited to eliminate additional energy losses in ternary bulk heterojunction solar cells, thus increasing their open-circuit voltage without loss in short-circuit current. In particular, we show that it is important that the DIBSq is located at the electron donor-acceptor interface; otherwise charge carriers will be trapped in the DIBSq domain or excitons in the DIBSq domains will not be able to dissociate efficiently at an interface. KMC modeling shows that only small amounts of DIBSq (<5% by weight) are needed to achieve substantial performance improvements due to long-range energy transfer.

  12. Theoretical study of the almost sequential mechanism of true ternary fission

    NASA Astrophysics Data System (ADS)

    Tashkhodjaev, R. B.; Muminov, A. I.; Nasirov, A. K.; von Oertzen, W.; Oh, Yongseok

    2015-05-01

    We consider the collinear ternary fission which is a sequential ternary decay with a very short time between the ruptures of two necks connecting the middle cluster of the ternary nuclear system and outer fragments. In particular, we consider the case where the Coulomb field of the first massive fragment separated during the first step of the fission produces a lower pre-scission barrier in the second step of the residual part of the ternary system. In this case, we obtain a probability of about 10-3 per binary fission for the yield of massive clusters such as 70Ni,Ge-8280,86Se, and 94Kr in the ternary fission of 252Cf. These products appear together with the clusters having mass numbers of A =132 -140 . The results show that the yield of a heavy cluster such as Ni-7068 would be followed by a product of A =138 -148 with a large probability as observed in the experimental data obtained with the FOBOS spectrometer at the Joint Institute for Nuclear Research. The third product is not observed. The landscape of the potential-energy surface shows that the configuration of the Ni +Ca +Sn decay channel is lower by about 12 MeV than that of the Ca +Ni +Sn channel. This leads to the fact that the yield of Ni and Sn is large. The analysis on the dependence of the velocity of the middle fragment on mass numbers of the outer products leads to the conclusion that, in the collinear tripartition channel of 252Cf, the middle cluster has a very small velocity, which does not allow it to be found in experiments.

  13. Ternary rare-earth titanium antimonides: Phase equilibria in the RE-Ti-Sb (RE=La, Er) systems and crystal structures of RE{sub 2}Ti{sub 7}Sb{sub 12} (RE=La, Ce, Pr, Nd) and RETi{sub 3}(Sn{sub x}Sb{sub 1-x}){sub 4} (RE=Nd, Sm)

    SciTech Connect

    Bie Haiying; Devon Moore, S.H.; Piercey, Davin G.; Tkachuk, Andriy V.; Zelinska, Oksana Ya.; Mar, Arthur

    2007-08-15

    Investigations on phase relationships and crystal structures have been conducted on several ternary rare-earth titanium antimonide systems. The isothermal cross-sections of the ternary RE-Ti-Sb systems containing a representative early (RE=La) and late rare-earth element (RE=Er) have been constructed at 800 deg. C. In the La-Ti-Sb system, the previously known compound La{sub 3}TiSb{sub 5} was confirmed and the new compound La{sub 2}Ti{sub 7}Sb{sub 12} (own type, Cmmm, Z=2, a=10.5446(10) A, b=20.768(2) A, and c=4.4344(4) A) was discovered. In the Er-Ti-Sb system, no ternary compounds were found. The structure of La{sub 2}Ti{sub 7}Sb{sub 12} consists of a complex arrangement of TiSb{sub 6} octahedra and disordered fragments of homoatomic Sb assemblies, generating a three-dimensional framework in which La atoms reside. Other early rare-earth elements (RE=Ce, Pr, Nd) can be substituted in this structure type. Attempts to prepare crystals in these systems through use of a tin flux resulted in the discovery of a new Sn-containing pseudoternary phase RETi{sub 3}(Sn{sub x}Sb{sub 1-x}){sub 4} for RE=Nd, Sm (own type, Fmmm, Z=8; a=5.7806(4) A, b=10.0846(7) A, and c=24.2260(16) A for NdTi{sub 3}(Sn{sub 0.1}Sb{sub 0.9}){sub 4}; a=5.7590(4) A, b=10.0686(6) A, and c=24.1167(14) A for SmTi{sub 3}(Sn{sub 0.1}Sb{sub 0.9}){sub 4}). Its structure consists of double-layer slabs of Ti-centred octahedra stacked alternately with nets of the RE atoms; the Ti atoms are arranged in kagome nets. - Graphical abstract: La{sub 2}Ti{sub 7}Sb{sub 12} contains sectioned layers consisting of Ti-centred octahedra linked by corner- and face-sharing.

  14. Neutron Damage and MAX Phase Ternary Compounds

    SciTech Connect

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

    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.

  15. Ternary logic and mass quantum numbers

    SciTech Connect

    Sheppeard, M. D.

    2010-06-15

    Koide's prediction of the tau mass may be formulated as a condition on the three eigenvalues of a quantum Fourier series, using simple parameters, and similar triplets have been found for neutrino and hadron masses [2]. Assuming these parameters arise from quantum gravity, one would like to understand them from the more abstract context of category theory. In particular, whereas the logic of lepton spin is a linear analogue of the ordinary Boolean logic of the category of sets, mass triplets suggest an analogous ternary logic, requiring higher dimensional categorical structures.

  16. Ternary compound electrode for lithium cells

    DOEpatents

    Raistrick, I.D.; Godshall, N.A.; Huggins, R.A.

    1980-07-30

    Lithium-based cells are promising for applications such as electric vehicles and load-leveling for power plants since lithium is very electropositive and of light weight. One type of lithium-based cell utilizes a molten salt electrolyte and normally is operated in the temperature range of about 350 to 500/sup 0/C. Such high temperature operation accelerates corrosion problems. The present invention provides an electrochemical cell in which lithium is the electroactive species. The cell has a positive electrode which includes a ternary compound generally represented as Li-M-O, wherein M is a transition metal. Corrosion of the inventive cell is considerably reduced.

  17. Ternary compound electrode for lithium cells

    DOEpatents

    Raistrick, Ian D.; Godshall, Ned A.; Huggins, Robert A.

    1982-01-01

    Lithium-based cells are promising for applications such as electric vehicles and load-leveling for power plants since lithium is very electropositive and of light weight. One type of lithium-based cell utilizes a molten salt electrolyte and normally is operated in the temperature range of about 350.degree.-500.degree. C. Such high temperature operation accelerates corrosion problems. The present invention provides an electrochemical cell in which lithium is the electroactive species. The cell has a positive electrode which includes a ternary compound generally represented as Li-M-O, wherein M is a transition metal. Corrosion of the inventive cell is considerably reduced.

  18. Normal state properties of the ternary molybdenum sulfides

    NASA Technical Reports Server (NTRS)

    Woollam, J. A.; Alterovitz, S. A.

    1978-01-01

    By making a large number of normal state and superconducting properties measurements, all on the same ternary molybdenum sulfide samples, we obtain values for Fermi surface and superconducting parameters. From these we conclude that sputtered ternary molybdenum sulfides are not completely in the dirty superconductor limit, and that they are d-band metals with a high electron carrier density.

  19. The use of acoustic spectroscopy in the characterisation of ternary phase diagrams.

    PubMed

    Bonacucina, Giulia; Cespi, Marco; Mencarelli, Giovanna; Casettari, Luca; Palmieri, Giovanni F

    2013-01-30

    This study shows novel and interesting applications of acoustic spectroscopy for characterisation of ternary systems such as isopropylmiristate (IPM)/polysorbate 80 (T)/water (W). Particle size and microrheological extensional moduli (i.e. G' and G″) of different systems were determined by means of acoustic parameters such as sound attenuation and speed. Electric conductivity was also measured using the same instrument. The ultrasonic profile in terms of attenuation and sound speed in the megahertz frequency range, allowed the characterisation of the different zones of the ternary diagram such as microemulsion, emulsion and gel zones, as well as the evaluation of water state and particle size. This last parameter is a very effective tool in quantifying the phase transitions of systems and understanding which system is formed in any phase diagram zone. In fact, it is possible to analyse samples without dilution and despite their degree of turbidity, allowing complete characterisation of both properties and structure. PMID:23124105

  20. On the ability of CuAβ1-x peptides to form ternary complexes: Neurotransmitter glutamate is a competitor while not a ternary partner.

    PubMed

    Frączyk, Tomasz; Zawisza, Izabela A; Goch, Wojciech; Stefaniak, Ewelina; Drew, Simon C; Bal, Wojciech

    2016-05-01

    In the light of conflicting reports on the ability of copper(II) complexes of amyloid beta (Aβ) peptides to form ternary complexes with small molecules co-present in the biological milieu, we performed a study of coordination equilibria in the system containing Cu(II) ions, the Aβ1-16 peptide, glutamic acid and 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid, HEPES) buffer. Using potentiometry, isothermal titration calorimetry (ITC), UV-visible spectroscopy and EPR, we concluded that glutamic acid was not able to form such a ternary complex, but can efficiently compete for the Cu(II) ion with the Aβ peptide at Glu concentrations relevant for the synaptic cleft. We also found that the literature constants for Cu(II) complexes with Glu were overestimated, but this effect was partially compensated by the formation of a ternary Cu(Glu)(HEPES) complex. Our results indicate that small molecules co-present with Cu(II) ions and Aβ peptides in the synaptic cleft are not very likely to enhance Cu(II)/Aβ interactions, but instead should be considered as a Cu(II) buffering system that may help prevent these interactions and participate in Cu(II) clearance from the synaptic cleft. PMID:26970944

  1. Symmetric weak ternary quantum homomorphic encryption schemes

    NASA Astrophysics Data System (ADS)

    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.

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

    SciTech Connect

    Negache, M.; Souami, N.

    2010-01-05

    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(gamma), Ni{sub 3}Al(gamma'), Ni{sub 6}AlTa(tau{sub 3}), Ni{sub 3}Ta(delta) or in equilibrium: two solid phases (gamma'-tau{sub 3}), (tau{sub 3}-delta), (tau{sub 3}-gamma), (gamma-delta) or three solid phases (gamma'-tau{sub 3}-delta). 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 Ni{sub 75}Al{sub x}Ta{sub y} (x+y = 25at.%) system, which are varied and complex. In addition to the solid solution Ni (gamma), the formed intermetallics compounds (gamma', tau{sub 3} and delta) 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 Ni{sub 3}Ta(delta) is the hardest. The below results provide a better understanding of the complex microstructure of these alloys.

  3. Phase Behavior of Ternary Polymer Blends: Asymmetry, Segregation Strength, and Coexisting Phases

    NASA Astrophysics Data System (ADS)

    Habersberger, Brian McLean

    The bicontinuous microemulsion phase, found in ternary polymer blends containing immiscible A and B homopolymers and an amphiphilic A-B diblock copolymer, has attracted interest due to its combination of properties that make it attractive for use as a template for nanoporous materials. While recent work has demonstrated that a variety of materials can be templated from a single blend system, future work may demand incorporation of a variety of polymers into microemulsion-forming blends. Such systems fall beyond the currently understood model phase behavior for ternary blends. In this thesis, the effect of well-controlled nonidealities and other extensions of ternary blend phase behavior are described. Systems were designed to investigate the influence of conformational asymmetry---a difference in the radius of gyration per molar volume of two polymers---on blend phase behavior. Previous work suggested that the influence was significant, and resulted in a broad region of a hexagonally symmetric phase in the vicinity of the microemulsion. This behavior could inhibit the process of capturing of microemulsion for templating purposes, so it is important to understand conformational asymmetry's influence. A related series of systems was designed to investigate the effect of increased segregation strength by using amphiphilic diblocks of varying molecular weight. Finally, a previous study incorporating an ABA triblock, C homopolymer, and ABABA--C amphiphilic hexablock was expanded to incorporate ordered components, allowing for hierarchical microphase separation. This study demonstrates that model ternary blend phase behavior can be extended to systems containing more complex linear polymer architectures. Additionally, two phenomena observed in these systems were investigated in detail. First, light scattering was observed in the vicinity of the order-disorder transition of blends; this scattering is a result of coexisting ordered and disordered phases. Finally, catalytic

  4. Phase diagrams of the sections As/sub 2/S/sub 3/-Tl/sub 3/AsS/sub 4/, Tl/sub 3/AsS/sub 4/-S, and Tl/sub 3/AsS/sub 4/-Tl/sub 2/S of the ternary system As-Tl-S

    SciTech Connect

    Vorob'ev, Yu.I.; Velikova, N.G.; Kirilenko, V.V.; Shchelokov, R.N.

    1987-12-01

    Using DTA and XPA methods, microstructural investigations, and microhardness measurements, phase diagrams of the quasibinary sections As/sub 2/S/sub 3/-Tl/sub 3/AsS/sub 4/, Tl/sub 3/AsS/sub 4/-S, and Tl/sub 3/AsS/sub 4/-Tl/sub 2/S, are characterized by five ternary compounds Tl/sub 3/As/sub 5/S/sub 10/, Tl/sub 9/As/sub 5/S/sub 15/, Tl/sub 9/As/sub 3/S/sub 13/, Tl/sub 3/AsS/sub 6/, and Tl/sub 8/As/sub 2/S/sub 9/, which decompose by peritectic reactions at 198, 307, 408, 362, and 318/degree/C, respectively. Interplanar spacings and line intensities are given for the detected compounds. Glass formation is considered in the Tl-As-S system.

  5. [Construction of Three-Dimensional Isobologram for Ternary Pollutant Mixtures].

    PubMed

    2015-12-01

    Tongji University, Shanghai 200092, China) Isobolographic analysis was widely used in the interaction assessment of binary mixtures. However, how to construct a three-dimensional (3D) isobologram for the assessment of toxicity interaction within ternary mixtures is still not reported up to date. The main purpose of this paper is to develop a 3D isobologram where the relative concentrations of three components are acted as three coordinate axes in 3D space to examine the toxicity interaction within ternary mixtures. Taking six commonly used pesticides in China, including three herbicides (2, 4-D, desmetryne and simetryn) and three insecticides ( dimethoate, imidacloprid and propoxur) as the mixture components, the uniform design ray procedure (UD-Ray) was used to rationally design the concentration composition of various components in the ternary mixtures so that effectively and comprehensively reflected the variety of actual environmental concentrations. The luminescent inhibition toxicities of single pesticides and their ternary mixtures to Vibrio fischeri at various concentration levels were determined by the microplate toxicity analysis. Selecting concentration addition (CA) as the addition reference, 3D isobolograms were constructed to study the toxicity interactions of various ternary mixtures. The results showed that the 3D isobologram could clearly and directly exhibit the toxicity interactions of ternary mixtures, and extend the use of isobolographic analysis into the ternary mixtures.

  6. A ternary model for double-emulsion formation in a capillary microfluidic device.

    PubMed

    Park, Jang Min; Anderson, Patrick D

    2012-08-01

    To predict double-emulsion formation in a capillary microfluidic device, a ternary diffuse-interface model is presented. The formation of double emulsions involves complex interfacial phenomena of a three-phase fluid system, where each component can have different physical properties. We use the Navier-Stokes/Cahn-Hilliard model for a general ternary system, where the hydrodynamics is coupled with the thermodynamics of the phase field variables. Our model predicts important features of the double-emulsion formation which was observed experimentally by Utada et al. [Utada et al., Science, 2005, 308, 537]. In particular, our model predicts both the dripping and jetting regimes as well as the transition between those two regimes by changing the flow rate conditions. We also demonstrate that a double emulsion having multiple inner drops can be formed when the outer interface is more stable than the inner interface. PMID:22592893

  7. Ternary compound thin film solar cells

    NASA Technical Reports Server (NTRS)

    Kazmerski, L. L.

    1975-01-01

    A group of ternary compound semiconductor (I-III-VI2) thin films for future applications in photovoltaic devices is proposed. The consideration of these materials (CuInSe2, CuInTe2 and especially CuInS2) for long range device development is emphasized. Much of the activity to date has been concerned with the growth and properties of CuInX2 films. X-ray and electron diffraction analyses, Hall mobility and coefficient, resistivity and carrier concentration variations with substrate and film temperature as well as grain size data have been determined. Both p- and n-type films of CuInS2 and CuInSe2 have been produced. Single and double source deposition techniques have been utilized. Some data have been recorded for annealed films.

  8. Ternary metal nitrides by the urea route

    SciTech Connect

    Gomathi, A. . E-mail: gomathi@jncasr.ac.in

    2007-05-03

    Interstitial molybdenum ternary nitrides, M {sub n}Mo{sub 3}N (M = Fe and Co, n = 3; M = Ni, n = 2), can be obtained by heating the molybdate precursors, FeMoO{sub 4}, CoMoO{sub 4} and NiMoO{sub 4} with urea in the 1:12 molar ratio in the 900-1000 deg. C range. Fe{sub 3}Mo{sub 3}N and Co{sub 3}Mo{sub 3}N are obtained in pure form. The nickel nitride has the composition Ni{sub 2}Mo{sub 3}N and therefore is in admixture with nickel. All the nitrides have been characterized by various physical methods.

  9. Facile Synthesis of Ternary Boron Carbonitride Nanotubes

    PubMed Central

    2009-01-01

    In this study, a novel and facile approach for the synthesis of ternary boron carbonitride (B–C–N) nanotubes was reported. Growth occurred by heating simple starting materials of boron powder, zinc oxide powder, and ethanol absolute at 1150 °C under a mixture gas flow of nitrogen and hydrogen. As substrate, commercial stainless steel foil with a typical thickness of 0.05 mm played an additional role of catalyst during the growth of nanotubes. The nanotubes were characterized by SEM, TEM, EDX, and EELS. The results indicate that the synthesized B–C–N nanotubes exhibit a bamboo-like morphology and B, C, and N elements are homogeneously distributed in the nanotubes. A catalyzed vapor–liquid–solid (VLS) mechanism was proposed for the growth of the nanotubes. PMID:20596377

  10. Preferential Solvation in Binary and Ternary Mixtures.

    PubMed

    Pallewela, Gayani N; Smith, Paul E

    2015-12-24

    Preferential solvation has become a useful tool to help characterize and understand the properties of liquid mixtures. Here, we provide a new quantitative measure of preferential solvation in binary and ternary mixtures that uses Kirkwood-Buff integrals as input, but differs from traditional measures. The advantages of the new measure are highlighted and compared with established literature approaches. Molecular dynamics simulations are performed to further investigate the nature of binary mixtures, as described by the new and existing measures of preferential solvation. It is shown that the new measure of preferential solvation is rigorous, has a simple physical interpretation, can be easily related to the underlying thermodynamic properties of the mixture, and naturally leads to zero values for ideal mixtures.

  11. Flashpoint prediction for ternary mixtures of alcohols with water for CFD simulation of unsteady flame propagation during explosion

    NASA Astrophysics Data System (ADS)

    Skřínský, Jan; Vereš, Ján; Ševčíková, Silvie Petránková

    2016-06-01

    Aqueous solutions of binary and ternary mixtures of alcohols are of considerable interest for a wide range of scientists and technologists. Simple dimensionless experimental formulae based on rational reciprocal and polynomial functions are proposed for correlation of the flashpoint data of binary mixtures of two components. The formulae are based on data obtained from flashpoint experiments and predictions. The main results are the derived experimental flashpoint values for ternary mixtures of two aqueous-organic solutions and the model prediction of maximum explosion pressure values for the studied mixtures. Potential application for the results concerns the assessment of fire and explosion hazards, and the development of inherently safer designs for chemical processes containing binary and ternary partially miscible mixtures of an aqueous-organic system. The goal of this article is to present the results of modelling using these standard models and to demonstrate its importance in the area of CFD simulation.

  12. Pb-free Sn-Ag-Cu ternary eutectic solder

    DOEpatents

    Anderson, Iver E.; Yost, Frederick G.; Smith, John F.; Miller, Chad M.; Terpstra, Robert L.

    1996-06-18

    A Pb-free solder includes a ternary eutectic composition consisting essentially of about 93.6 weight % Sn-about 4.7 weight % Ag-about 1.7 weight % Cu having a eutectic melting temperature of about 217.degree. C. and variants of the ternary composition wherein the relative concentrations of Sn, Ag, and Cu deviate from the ternary eutectic composition to provide a controlled melting temperature range (liquid-solid "mushy" zone) relative to the eutectic melting temperature (e.g. up to 15.degree. C. above the eutectic melting temperature).

  13. Pb-free Sn-Ag-Cu ternary eutectic solder

    DOEpatents

    Anderson, I.E.; Yost, F.G.; Smith, J.F.; Miller, C.M.; Terpstra, R.L.

    1996-06-18

    A Pb-free solder includes a ternary eutectic composition consisting essentially of about 93.6 weight % Sn-about 4.7 weight % Ag-about 1.7 weight % Cu having a eutectic melting temperature of about 217 C and variants of the ternary composition wherein the relative concentrations of Sn, Ag, and Cu deviate from the ternary eutectic composition to provide a controlled melting temperature range (liquid-solid ``mushy`` zone) relative to the eutectic melting temperature (e.g. up to 15 C above the eutectic melting temperature). 5 figs.

  14. The extraction of aromatic amino acids with binary and ternary mixtures of hydrophilic solvents

    NASA Astrophysics Data System (ADS)

    Mokshina, N. Ya.; Pakhomova, O. A.; Niftaliev, S. I.

    2007-11-01

    The extraction of tyrosine and phenylalanine with binary and ternary mixtures of hydrophilic solvents from aqueous salt solutions was studied, and several tendencies were observed. Simplex-lattice planning of experiment was used for the optimization of the composition of solvent mixtures. It was shown that the extraction systems developed could be employed for the almost complete extraction of tyrosine and phenylalanine from aqueous solutions.

  15. Solubility of anthracene in ternary 2-alkoxyethanol + cyclohexane + heptane and 2-alkoxyethanol + cyclohexane + 2,2,4-trimethylpentane solvent mixtures

    SciTech Connect

    Deng, T.; Childress, S.D.; Fina, K.M. de; Hernandez, C.E.; Roy, L.E.; Sharp, T.L.; Acree, W.E. Jr.

    1999-03-01

    Experimental solubilities are reported for anthracene dissolved in ternary 2-ethoxyethanol + cyclohexane + heptane, 2-ethoxyethanol + cyclohexane + 2,2,4-trimethylpentane, 2-butoxyethanol + cyclohexane + heptane, and 2-butoxyethanol + cyclohexane + 2,2,4-trimethylpentane solvent mixtures at 25 C. Nineteen compositions were studied for each of the four solvent systems. Results of these measurements are used to test the predictive ability of the ternary solvent form of the combined NIMS/Redlich-Kister equation. Computations showed that the model predicted the observed solubility behavior to within an overall average absolute deviation of about 1.42%.

  16. Self-assembled ternary complexes of neutral liposomes, deoxyribonucleic acid, and bivalent metal cations. Promising vectors for gene transfer?

    NASA Astrophysics Data System (ADS)

    Bruni, P.; Pisani, M.; Amici, A.; Marchini, C.; Montani, M.; Francescangeli, O.

    2006-02-01

    By means of synchrotron x-ray diffraction we demonstrate the self-assembled formation of the neutral ternary dioleoyl-phosphatidylcholine-deoxyribonucleic acid (plasmid)-Me2+ (Me=Ca and Mn) complexes in the liquid-crystalline Lα phase. We also report an attempt of an in vitro transfection on mouse fibroplast NIH 3T3 cell lines, which shows the capability of these complexes to transfect DNA. Based on the reported results, efficient encapsulation of DNA plasmids in these ternary neutral complexes may represent an important alternative to current systemic gene approaches.

  17. Vaporization thermodynamic studies by high-temperature mass spectrometry on some three-phase regions over the MnO-TeO2 binary line in the Mn-Te-O ternary system.

    PubMed

    Narasimhan, T S Lakshmi; Sai Baba, M; Viswanathan, R

    2006-12-28

    Knudsen effusion mass spectrometric measurements have been performed in the temperature range of 850-950 K over four three-phase mixtures, each phase mixture having at least one phase lying on the MnO-TeO2 binary line of the Mn-Te-O phase diagram, and the rest of the phases lying above this binary line. The three-phase mixtures investigated are Mn3O4 + MnO + Mn6Te5O16; Mn3O4 + Mn6Te5O16 + MnTeO3; Mn3O4 + Mn3TeO6 + MnTeO3; and Mn3TeO6 + MnTeO3 + Mn2Te3O8. The vapor pressures of the gaseous species TeO2, TeO, and Te2 over these three-phase mixtures were measured, and various heterogeneous solid-gas reactions were evaluated along with the homogeneous gas-phase reaction TeO2(g) + 0.5Te2(g) = 2 TeO(g). The enthalpy and Gibbs free energy of formation of the four ternary Mn-Te-O phases were deduced at T = 900 K. These values (in kJ.mol-1), along with the estimated uncertainties in them are Delta(f)H(o)m = 4150 +/- 19, 752 +/- 11, 1710 +/- 11, 1924 +/- 40, and Delta(f)G(o)m= 2835 +/- 28, 511 +/- 11, 1254 +/- 19, 1238 +/- 38, for Mn6Te5O16, MnTeO3, Mn3TeO6, and Mn2Te3O8, respectively. A thermochemical assessment was made to examine the conditions under which the ternary Mn-Te-O phases could be formed on a stainless steel clad of mixed-oxide-fueled (MO2; M = U + Pu) fast breeder nuclear reactors. The phase Mn3TeO6 could be formed when the fuel is even slightly hyperstoichiometric (O/M = 2.0002) and the phase Mn6Te5O16 could also be formed when O/M = 2.0004. The threshold tellurium potential for the formation of Mn3TeO6 is higher than that for MnTe0.80 and CrTe1.10, but is comparable to that for MoTe1.10, and even lower than that for FeTe0.81 or NiTe0.63.

  18. Numerical Prediction of the Thermodynamic Properties of Ternary Al-Ni-Pd Alloys

    NASA Astrophysics Data System (ADS)

    Zagula-Yavorska, Maryana; Romanowska, Jolanta; Kotowski, Sławomir; Sieniawski, Jan

    2016-01-01

    Thermodynamic properties of ternary Al-Ni-Pd system, such as exGAlNPd, µAl(AlNiPd), µNi(AlNiPd) and µPd(AlNiPd) at 1,373 K, were predicted on the basis of thermodynamic properties of binary systems included in the investigated ternary system. The idea of predicting exGAlNiPd values was regarded as calculation of values of the exG function inside a certain area (a Gibbs triangle) unless all boundary conditions, that is values of exG on all legs of the triangle are known (exGAlNi, exGAlPd, exGNiPd). This approach is contrary to finding a function value outside a certain area, if the function value inside this area is known. exG and LAl,Ni,Pd ternary interaction parameters in the Muggianu extension of the Redlich-Kister formalism were calculated numerically using the Excel program and Solver. The accepted values of the third component xx differed from 0.01 to 0.1 mole fraction. Values of LAlNiPd parameters in the Redlich-Kister formula are different for different xx values, but values of thermodynamic functions: exGAlNiPd, µAl(AlNiPd), µNi(AlNiPd) and µPd(AlNiPd) do not differ significantly for different xx values. The choice of xx value does not influence the accuracy of calculations.

  19. Solute pairing in solution-hardened Cu-Ni, Cu-Pd binary, and Cu-Ni-Pd ternary fcc alloys

    NASA Astrophysics Data System (ADS)

    Wong, Joe; Nixon, W. E.; Mitchell, J. W.; Laderman, S. S.

    1992-01-01

    The pairing of solute atoms in solution-hardened binary and ternary face-centered cubic (fcc) binary and ternary Cu alloys has been investigated with the EXAFS (extended x-ray-absorption fine structure) technique using synchrotron radiation. Two binary Cu alloys, one containing 6 at. % Ni and the other 6 at. % Pd and a ternary Cu alloy containing 3 at. % Ni and 3 at. % Pd alloy were studied. The solute concentration in each system was chosen below that (8.33 at. %) required for finding one solute-solute pair in the first coordination sphere in the fcc structure. Detailed simulations of the experimental EXAFS signal arising from the first coordination shell of the Ni and Pd solute atoms in these alloys give the following results: (i) In both binary and ternary alloys, Ni is coordinated by 12 Cu host atoms at a distance equal to sum of the Goldschmidt radii. There is little evidence for Ni-Ni pairing. (ii) On the other hand, Pd-Pd pairing is found in both the binary and ternary systems. In addition, chemical interaction with the Cu matrix is evident from the Pd-Cu separation of 2.60 Å which is ˜0.05 Å shorter than the sum of their Goldschmidt radii. (iii) Finally, there is no pairing of Ni-Pd solute atoms in the ternary alloy.

  20. Method for preparing homogeneous single crystal ternary III-V alloys

    DOEpatents

    Ciszek, Theodore F.

    1991-01-01

    A method for producing homogeneous, single-crystal III-V ternary alloys of high crystal perfection using a floating crucible system in which the outer crucible holds a ternary alloy of the composition desired to be produced in the crystal and an inner floating crucible having a narrow, melt-passing channel in its bottom wall holds a small quantity of melt of a pseudo-binary liquidus composition that would freeze into the desired crystal composition. The alloy of the floating crucilbe is maintained at a predetermined lower temperature than the alloy of the outer crucible, and a single crystal of the desired homogeneous alloy is pulled out of the floating crucible melt, as melt from the outer crucible flows into a bottom channel of the floating crucible at a rate that corresponds to the rate of growth of the crystal.

  1. Comparison of various ternary simulated moving bed separation schemes by multi-objective optimization.

    PubMed

    Agrawal, Gaurav; Kawajiri, Yoshiaki

    2012-05-18

    Over the past decade, many modifications have been proposed in simulated moving bed (SMB) chromatography in order to effectively separate a binary mixture. However, the separation of multi-component mixtures using SMB is still one of the major challenges. In addition, the performance of SMB system highly depends on its operating conditions. Our study address this issue by formulating a multi-objective optimization problem that maximizes the productivity and purity of intermediate eluting component at the same time. A number of optimized isocractic ternary SMB operating schemes are compared both in terms of productivity and amount of desorbent to feed ratio. Furthermore, we propose a generalized full cycle (GFC) formulation based on superstructure formulation encompassing numerous operating schemes proposed in the literature. We also demonstrate that this approach has a potential to find the best ternary separation strategy among various alternatives. PMID:22498352

  2. New results on the ternary fission of 243Cm

    NASA Astrophysics Data System (ADS)

    Heyse, J.; Wagemans, C.; Vermote, S.; Serot, O.; Geltenbort, P.; Soldner, T.; Van Gils, J.

    2005-11-01

    Ternary fission is an important source of He and tritium gas in nuclear reactors and used fuel elements. Therefore a systematic study of the ternary fission yields for 4He and tritons (t) is being performed. In recent years the influence of the excitation energy of the fissioning nucleus on the triton emission probability (t/B) has been investigated for different Cm and Cf isotopes. In this paper we report on new results on the neutron induced fission of 243Cm.

  3. Thermoelectric properties of Co(x)Ni(4-x)Sb(12-y)Sn(y) ternary skutterudites

    NASA Technical Reports Server (NTRS)

    Mackey, Jon A.; Dynys, Frederick W.; Sehirlioglu, Alp

    2014-01-01

    Thermoelectric materials based on the skutterudite crystal structure have demonstrated enhanced performance (ZT greater than 1), along with good thermal stability and favorable mechanical properties. Binary skutterudites, with single and multiple fillers, have been intensively studied in recent years. Compared to binary skutterudites, the ternary systems have received less attention, e.g. Ni4Sb8Sn4. Ternary skutterudites are isoelectronic variants of binary skutterudites; cation substitutions appear to be isostructural to their binary analogues. In general, ternary skutterudites exhibit lower thermal conductivity. Ternary systems of Ni4Bi8Ge4, Ni4Sb8Ge4, and Ni4Sb8Sn4 were investigated using combined solidification and sintering steps. Skutterudite formation was not achieved in the Ni4Bi8Ge4 and Ni4Sb8Ge4 systems; skutterudite formation occurred in Ni4Sb8Sn4 system. P-type material was achieved by Co substitution for Ni. Thermoelectric properties were measured from 298 K to 673 K for Ni4Sb8Sn4, Ni4 Sb7Sn5 and Co2Ni2Sb7Sn5. N-type Ni4Sb8Sn4 exhibit the highest figure of merit of 0.1 at 523 K.

  4. Large field-induced-strain at high temperature in ternary ferroelectric crystals

    NASA Astrophysics Data System (ADS)

    Wang, Yaojin; Chen, Lijun; Yuan, Guoliang; Luo, Haosu; Li, Jiefang; Viehland, D.

    2016-10-01

    The new generation of ternary Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 ferroelectric single crystals have potential applications in high power devices due to their surperior operational stability relative to the binary system. In this work, a reversible, large electric field induced strain of over 0.9% at room temperature, and in particular over 0.6% above 380 K was obtained. The polarization rotation path and the phase transition sequence of different compositions in these ternary systems have been determined with increasing electric field applied along [001] direction based on x-ray diffraction data. Thereafter, composition dependence of field-temperature phase diagrams were constructed, which provide compositional and thermal prospectus for the electromechanical properties. It was found the structural origin of the large stain, especially at higher temperature is the lattice parameters modulated by dual independent variables in composition of these ternary solid solution crystals.

  5. An electrochemical hydrogen meter for measuring hydrogen in sodium using a ternary electrolyte mixture

    NASA Astrophysics Data System (ADS)

    Sridharan, R.; Mahendran, K. H.; Nagaraj, S.; Gnanasekaran, T.; Periaswami, G.

    2003-01-01

    An electrochemical sensor for measuring hydrogen concentration in liquid sodium that is based on a ternary mixture of LiCl, CaCl 2 and CaHCl as the electrolyte has been developed. DSC experiments showed the eutectic temperature of this ternary system to be ˜725 K. Impedance spectroscopic analysis of the electrolyte indicated ionic conduction through a molten phase at ˜725 K. Two electrochemical hydrogen sensors were constructed using the ternary electrolyte of composition 70 mol% LiCl:16 mol% CaHCl:14 mol% CaCl 2 and tested at 723 K in a mini sodium loop and at hydrogen levels of 60-250 ppb in sodium. The sensors show linear response in this concentration range and are capable of detecting a change of 10 ppb hydrogen in sodium over a background level of 60 ppb. Identification of this electrolyte system and its use in a sensor for measuring hydrogen in sodium are described in this paper.

  6. Large field-induced-strain at high temperature in ternary ferroelectric crystals

    PubMed Central

    Wang, Yaojin; Chen, Lijun; Yuan, Guoliang; Luo, Haosu; Li, Jiefang; Viehland, D.

    2016-01-01

    The new generation of ternary Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 ferroelectric single crystals have potential applications in high power devices due to their surperior operational stability relative to the binary system. In this work, a reversible, large electric field induced strain of over 0.9% at room temperature, and in particular over 0.6% above 380 K was obtained. The polarization rotation path and the phase transition sequence of different compositions in these ternary systems have been determined with increasing electric field applied along [001] direction based on x-ray diffraction data. Thereafter, composition dependence of field-temperature phase diagrams were constructed, which provide compositional and thermal prospectus for the electromechanical properties. It was found the structural origin of the large stain, especially at higher temperature is the lattice parameters modulated by dual independent variables in composition of these ternary solid solution crystals. PMID:27734908

  7. Phase relations in the system NaCl-KCl-H2O: IV. Differential thermal analysis of the sylvite liquidus in the KCl-H2O binary, the liquidus in the NaCl-KCl-H2O ternary, and the solidus in the NaCl-KCl binary to 2 kb pressure, and a summary of experimental data for thermodynamic-PTX analysis of solid-liquid equilibria at elevated P-T conditions

    USGS Publications Warehouse

    Chou, I.-Ming; Sterner, S.M.; Pitzer, Kenneth S.

    1992-01-01

    The sylvite liquidus in the binary system KCl-H2O and the liquidus in the ternary system NaCl-KCl-H2O were determined by using isobaric differential thermal analysis (DTA) cooling scans at pressures up to 2 kbars. Sylvite solubilities along the three-phase curve in the binary system KCl-H2O were obtained by the intersection of sylvite-liquidus isopleths with the three-phase curve in a P-T plot. These solubility data can be represented by the equation Wt.% KCl (??0.2) = 12.19 + 0.1557T - 5.4071 ?? 10-5 T2, where 400 ??? T ??? 770??C. These data are consistent with previous experimental observations. The solidus in the binary system NaCl-KCl was determined by using isobaric DTA heating scans at pressures up to 2 kbars. Using these liquidus and solidus data and other published information, a thermodynamic-PTX analysis of solid-liquid equilibria at high pressures and temperatures for the ternary system has been performed and is presented in an accompanying paper (Part V of this series). However, all experimental liquidus, solidus, and solvus data used in this analysis are summarized in this report (Part IV) and they are compared with the calculated values based on the analysis. ?? 1992.

  8. Boron site preference in ternary Ta and Nb boron silicides

    SciTech Connect

    Khan, Atta U.; Nunes, Carlos A.; Coelho, Gilberto C.; Suzuki, Paulo A.; Grytsiv, Andriy; Bourree, Francoise; Rogl, Peter F.

    2012-06-15

    X-ray single crystal (XSC) and neutron powder diffraction data (NPD) were used to elucidate boron site preference for five ternary phases. Ta{sub 3}Si{sub 1-x}B{sub x} (x=0.112(4)) crystallizes with the Ti{sub 3}P-type (space group P4{sub 2}/n) with B-atoms sharing the 8g site with Si atoms. Ta{sub 5}Si{sub 3-x} (x=0.03(1); Cr{sub 5}B{sub 3}- type) crystallizes with space group I4/mcm, exhibiting a small amount of vacancies on the 4a site. Both, Ta{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.568(3), and Nb{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.59(2), are part of solid solutions of M{sub 5}Si{sub 3} with Cr{sub 5}B{sub 3}-type into the ternary M-Si-B systems (M=Nb or Ta) with B replacing Si on the 8h site. The D8{sub 8}-phase in the Nb-Si-B system crystallizes with the Ti{sub 5}Ga{sub 4}-type revealing the formula Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292(3)) with B partially filling the voids in the 2b site of the Mn{sub 5}Si{sub 3} 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: Black-Right-Pointing-Pointer Structure of a series of compounds have been solved by X-ray single crystal diffractometry. Black-Right-Pointing-Pointer Ta{sub 3}(Si{sub 1-x}B{sub x}) (x=0.112) crystallizes with the Ti{sub 3}P-type, B and Si atoms randomly share the 8g site. Black-Right-Pointing-Pointer Structure of Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292; Ti{sub 5}Ga{sub 4}-type) was solved from NPD.

  9. Synthesis of Ternary Nitrides From Intermetallic Precursors: Modes of Nitridation in Model Cr3Pt Alloys to Form Cr3PtN Perovskite and Applications to Other Systems

    SciTech Connect

    Brady, Michael P; Wrobel, Sarah; Lograsso, Tom; Payzant, E Andrew; Hoelzer, David T; Horton Jr, Joe A; Walker, Larry R

    2004-01-01

    The use of intermetallic alloy precursors is explored as a new means to synthesize complex transition and refractory metal nitrides, carbides, and related phases. The conditions under which model single-phase Cr{sub 3}Pt and two-phase Cr{sub 3}Pt-dispersed Cr alloys form Cr{sub 3}PtN antiperovskite when thermally nitrided were studied. Phenomenological experiments suggest that the key variable to achieving single-phase Cr{sub 3}PtN surface layers is the Cr{sub 3}Pt phase composition. In two-phase {beta}-Cr-Cr{sub 3}Pt alloys, the formation of single-phase Cr{sub 3}PtN at Cr{sub 3}Pt precipitates by in-place internal nitridation was found to be a strong function of the size of the Cr{sub 3}Pt dispersion in the microstructure. Nanoscale Cr{sub 3}Pt dispersions were readily converted to near single-phase Cr{sub 3}PtN, whereas nitridation of coarse Cr{sub 3}Pt particles resulted in a cellular or discontinuous-type reaction to form a lath mixture of Cr{sub 3}PtN and a more Cr-rich Cr{sub 3}Pt or {beta}-Cr. The potential for using such external/internal oxidation phenomena as a synthesis approach to layered or composite surfaces of ternary ceramic phases (nitrides, carbides, borides, etc.) of technological interest such as the Ti{sub 3}AlC{sub 2} phase, bimetallic nitride, and carbide catalysts (Co{sub 3}Mo{sub 3}N and Co{sub 3}Mo{sub 3}C and related phases), and magnetic rare earth nitrides (Fe{sub 17}Sm{sub 2}N{sub x} or Fe{sub 17}Nd{sub 2}N{sub x}) is discussed.

  10. Lunar granites with unique ternary feldspars

    NASA Technical Reports Server (NTRS)

    Ryder, G.; Stoeser, D. B.; Marvin, U. B.; Bower, J. F.

    1975-01-01

    An unusually high concentration of granitic fragments, with textures ranging from holocrystalline to glassy, occurs throughout Boulder 1, a complex breccia of highland rocks from Apollo 17, Station 2. Among the minerals included in the granites are enigmatic K-Ca-rich feldspars that fall in the forbidden region of the ternary diagram. The great variability in chemistry and texture is probably the result of impact degradation and melting of a granitic source-rock. Studies of the breccia matrix suggest that this original granitic source-rock may have contained more pyroxenes and phosphates than most of the present clasts contain. Petrographic observations on Apollo 15 KREEP basalts indicate that granitic liquids may be produced by differentiation without immiscibility, and the association of the granites with KREEP-rich fragments in the boulder suggests that the granites represent a residual liquid from the plutonic fractional crystallization of a KREEP-rich magma. Boulder 1 is unique among Apollo 17 samples in its silica-KREEP-rich composition. We conclude that the boulder represents a source-rock unlike the bedrock of South Massif.

  11. Ternary and coupled binary zinc tin oxide nanopowders: Synthesis, characterization, and potential application in photocatalytic processes

    SciTech Connect

    Ivetić, T.B.; Finčur, N.L.; Đačanin, Lj. R.; Abramović, B.F.; Lukić-Petrović, S.R.

    2015-02-15

    Highlights: • Mechanochemically synthesized nanocrystalline zinc tin oxide (ZTO) powders. • Photocatalytic degradation of alprazolam in the presence of ZTO water suspensions. • Coupled binary ZTO exhibits enhanced photocatalytic activity compared to ternary ZTO. - Abstract: In this paper, ternary and coupled binary zinc tin oxide nanocrystalline powders were prepared via simple solid-state mechanochemical method. X-ray diffraction, scanning electron microscopy, Raman and reflectance spectroscopy were used to study the structure and optical properties of the obtained powder samples. The thermal behavior of zinc tin oxide system was examined through simultaneous thermogravimetric-differential scanning calorimetric analysis. The efficiencies of ternary (Zn{sub 2}SnO{sub 4} and ZnSnO{sub 3}) and coupled binary (ZnO/SnO{sub 2}) zinc tin oxide water suspensions in the photocatalytic degradation of alprazolam, short-acting anxiolytic of the benzodiazepine class of psychoactive drugs, under UV irradiation were determined and compared with the efficiency of pure ZnO and SnO{sub 2}.

  12. Surface miscibility of EPC/DOTAP/DOPE in binary and ternary mixed monolayers.

    PubMed

    Rigoletto, Thais de Paula; Zaniquelli, Maria Elisabete Darbello; Santana, Maria Helena Andrade; de la Torre, Lucimara Gaziola

    2011-04-01

    Surface pressure (π)-molecular area (A) curves were used to characterize the packing of pseudo-ternary mixed Langmuir monolayers of egg phosphatidylcholine (EPC), 1,2-dioleoyl-3-trimethylammonium propane (DOTAP) and L-α-dioleoyl phosphatidylethanolamine (DOPE). This pseudo-ternary mixture EPC/DOPE/DOTAP has been successfully employed in liposome formulations designed for DNA non-viral vectors. Pseudo-binary mixtures were also studied as a control. Miscibility behavior was inferred from π-A curves applying the additivity rule by calculating the excess free energy of mixture (ΔG(Exc)). The interaction between the lipids was also deduced from the surface compressional modulus (C(s)(-1)). The deviation from ideality shows dependence on the lipid polar head type and monolayer composition. For lower DOPE concentrations, the forces are predominantly attractive. However, if the monolayer is DOPE rich, the DOTAP presence disturbs the PE-PE intermolecular interaction and the net interaction is then repulsive. The ternary monolayer EPC/DOPE/DOTAP presented itself in two configurations, modulated by the DOPE content, in a similar behavior to the DOPE/DOTAP monolayers. These results contribute to the understanding of the lipid interactions and packing in self-assembled systems associated with the in vitro and in vivo stability of liposomes. PMID:21159494

  13. New Results on Helium and Tritium Gas Production From Ternary Fission

    NASA Astrophysics Data System (ADS)

    Serot, O.; Wagemans, C.; Heyse, J.

    2005-05-01

    Ternary fission constitutes an important source of helium and tritium gas production in nuclear reactors and in used fuel elements. Data related to this production are therefore requested by nuclear industry. In the present paper, we report results from measurements of the 4He and 3H emission probabilities (denoted LRA/B and t/B, respectively). These measurements concern both thermal neutron-induced fission reactions as well as spontaneous fission decays. For spontaneous fission, data are reported for nuclides ranging from 238Pu up to 252Cf. For thermal neutron-induced fission, results cover target nuclei between 229Th and 251Cf. Based on these and other results, semi-empirical relations are proposed. These correlations are only valid if spontaneous fission data and neutron-induced fission data are considered separately, which shows the impact of the fissioning nucleus-excitation energy on the ternary particle-emission process. In this way, t/B and LRA/B values could be evaluated for fissioning systems not investigated so far. These results could be used for the ternary fission-yield evaluation of the JEFF3.1 library.

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

    PubMed

    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

  15. Studies on Cu(II) ternary complexes involving an aminopenicillin drug and imidazole containing ligands

    NASA Astrophysics Data System (ADS)

    Regupathy, Sthanumoorthy; Nair, Madhavan Sivasankaran

    2010-02-01

    Equilibrium studies on the ternary complex systems involving ampicillin (amp) as ligand (A) and imidazole containing ligands viz., imidazole (Him), benzimidazole (Hbim), histamine (Hist) and histidine (His) as ligands (B) at 37 °C and I = 0.15 mol dm -3 (NaClO 4) show the presence of CuABH, CuAB and CuAB 2. The proton in the CuABH species is attached to ligand A. In the ternary complexes the ligand, amp(A) binds the metal ion via amino nitrogen and carbonyl oxygen atom. The CuAB (B = Hist/His)/CuAB 2 (B = Him/Hbim) species have also been isolated and the analytical data confirmed its formation. Non-electrolytic behavior and monomeric type of chelates have been assessed from their low conductance and magnetic susceptibility values. The electronic and vibrational spectral results were interpreted to find the mode of binding of ligands to metal and geometry of the complexes. This is also supported by the g tensor values calculated from ESR spectra. The thermal behaviour of complexes were studied by TGA/DTA. The redox behavior of the complexes has been studied by cyclic voltammetry. The antimicrobial activity and CT DNA cleavage study of the complexes show higher activity for ternary complexes.

  16. Equilibrium Phase Diagrams for Stranski-Krastanov Structure Mode of III V Ternary Quantum Dots

    NASA Astrophysics Data System (ADS)

    Nakajima, Kazuo

    1999-04-01

    The strain, surface and interfacial energies of III V ternary systems were calculated for three kinds of structure modes: the Frank-van der Merwe (FM) mode, the Stranski-Krastanov (SK) mode and the Volmer-Weber (VW) mode. The free energy for each mode was estimated as functions of the thickness and composition or lattice misfit. Through comparison of the free energy of each mode, it was found that the thickness-composition phase diagrams of III V ternary systems can be determined only by considering the balance of the free energy and three kinds of structure modes appear in the phase diagrams. The SK mode appears only when the lattice misfit is large and/or the lattice layer is thick. The VW mode appears when the lattice misfit is large and the lattice layer is thin and only in the InPSb/InP and GaPSb/GaP systems which have the largest lattice misfit of III V ternary systems. The stable region of the SK mode in the GaPSb/GaP and InPSb/InP phase diagrams is largest of all because the composition dependence of the strain energy of these systems is stronger than that of the other systems. The critical number of lattice layers below which two-dimensional (2D) layers precede the three-dimensional (3D) nucleation in the SK mode at x=1.0 depends on the lattice misfit. In the InPSb/InP system, the smallest number of 2D layers precede the 3D nucleation in the SK mode.

  17. Effect of fullerene tris-adducts on the photovoltaic performance of P3HT:fullerene ternary blends.

    PubMed

    Kang, Hyunbum; Kim, Ki-Hyun; Kang, Tae Eui; Cho, Chul-Hee; Park, Sunhee; Yoon, Sung Cheol; Kim, Bumjoon J

    2013-05-22

    Fullerene tris-adducts have the potential of achieving high open-circuit voltages (V(OC)) in bulk heterojunction (BHJ) polymer solar cells (PSCs), because their lowest unoccupied molecular orbital (LUMO) level is higher than those of fullerene mono- and bis-adducts. However, no successful examples of the use of fullerene tris-adducts as electron acceptors have been reported. Herein, we developed a ternary-blend approach for the use of fullerene tris-adducts to fully exploit the merit of their high LUMO level. The compound o-xylenyl C60 tris-adduct (OXCTA) was used as a ternary acceptor in the model system of poly(3-hexylthiophene) (P3HT) as the electron donor and the two soluble fullerene acceptors of OXCTA and fullerene monoadduct (o-xylenyl C60 monoadduct (OXCMA), phenyl C61-butyric acid methyl ester (PCBM), or indene-C60 monoadduct (ICMA)). To explore the effect of OXCTA in ternary-blend PSC devices, the photovoltaic behavior of the device was investigated in terms of the weight fraction of OXCTA (W(OXCTA)). When W(OXCTA) is small (<0.3), OXCTA can generate a synergistic bridging effect between P3HT and the fullerene monoadduct, leading to simultaneous enhancement in both V(OC) and short-circuit current (J(SC)). For example, the ternary PSC devices of P3HT:(OXCMA:OXCTA) with W(OXCTA) of 0.1 and 0.3 exhibited power-conversion efficiencies (PCEs) of 3.91% and 3.96%, respectively, which were significantly higher than the 3.61% provided by the P3HT:OXCMA device. Interestingly, for W(OXCTA) > 0.7, both V(OC) and PCE of the ternary-blend PSCs exhibited nonlinear compositional dependence on W(OXCTA). We noted that the nonlinear compositional trend of P3HT:(OXCMA:OXCTA) was significantly different from that of P3HT:(OXCMA:o-xylenyl C60 bis-adduct (OXCBA)) ternary-blend PSC devices. The fundamental reasons for the differences between the photovoltaic trends of the two different ternary-blend systems were investigated systemically by comparing their optical, electrical

  18. The immiscibility of InAlN ternary alloy

    PubMed Central

    Zhao, Guijuan; Xu, Xiaoqing; Li, Huijie; Wei, Hongyuan; Han, Dongyue; Ji, Zesheng; Meng, Yulin; Wang, Lianshan; Yang, Shaoyan

    2016-01-01

    We have used two models based on the valence force field and the regular solution model to study the immiscibility of InAlN ternary alloy, and have got the spinodal and binodal curves of InAlN. Analyzing the spinodal decomposition curves, we obtain the appropriate concentration region for the epitaxial growth of the InN-AlN pseudobinary alloy. At a temperature most common for the epitaxial growth of InAlN (1000 K), the solubility of InN is about 10%. Then we introduce the mismatch strain item into the Gibbs free energy, and the effect of different substrates is taken into consideration. Considering Si, Al2O3, InN, GaN, AlN as a substrate respectively, it is found that all the five systems are stabilized with the upper critical solution temperature largely reduced. Finally, InN and GaN are potential substrates for In-rich InAlN, while AlN and GaN substrates are recommended in the Al-rich region. Si and Al2O3 may be ideal substrates for thin InAlN film. PMID:27221345

  19. Growth mechanism of nanowires: binary and ternary chalcogenides

    NASA Astrophysics Data System (ADS)

    Singh, N. B.; Coriell, S. R.; Su, Ching Hua; Hopkins, R. H.; Arnold, B.; Choa, Fow-Sen; Cullum, Brian

    2016-05-01

    Semiconductor nanowires exhibit very exciting optical and electrical properties including high transparency and a several order of magnitude better photocurrent than thin film and bulk materials. We present here the mechanism of nanowire growth from the melt-liquid-vapor medium. We describe preliminary results of binary and ternary selenide materials in light of recent theories. Experiments were performed with lead selenide and thallium arsenic selenide systems which are multifunctional material and have been used for detectors, acoustooptical, nonlinear and radiation detection applications. We observed that small units of nanocubes and elongated nanoparticles arrange and rearrange at moderate melt undercooling to form the building block of a nanowire. Since we avoided the catalyst, we observed self-nucleation and uncontrolled growth of wires from different places. Growth of lead selenide nanowires was performed by physical vapor transport method and thallium arsenic selenide nanowire by vapor-liquid-solid (VLS) method. In some cases very long wires (>mm) are formed. To achieve this goal experiments were performed to create situation where nanowires grew on the surface of solid thallium arsenic selenide itself.

  20. Diffusion path representation for two-phase ternary diffusion couples

    SciTech Connect

    Dayananda, M A; Venkatasubramanian, R

    1986-01-01

    Several two-phase, solid-solid diffusion couples from diffusion studies in the ternary Cu-Ni-Zn, Fe-Ni-Al and Cu-Ag-Au systems were investigated for their analytical representation on the basis of characteristic path parameters. The concentration profiles were examined in terms of relative concentration variables for cross-over compositions and internal consistency. The diffusion paths delineated single or double S-shaped curves crossing the straight line joining the terminal alloy compositions once or thrice. Cross-over compositions were identified in the individual phase regions or at an interface. Based on the symmetry between the path segments on either side of cross-over compositions, the paths were analytically represented with the aid of cross-over compositions and path slopes at these compositions, considered as path parameters. Exprestion for the ratios of diffusion depth on the two sides of the Matano plane were derived in terms of cross-over compositions and the estimated ratios of diffusion depths were found to be consistent with those observed from the concentration profiles.

  1. Electronic structure and phase equilibria in ternary substitutional alloys

    SciTech Connect

    Traiber, A.J.S.; Allen, S.M.; Turchi, P.E.A.; Waterstrat, R.M.

    1996-04-26

    A reliable, consistent scheme to study phase equilibria in ternary substitutional alloys based on the tight-binding approximation is presented. With electronic parameters from linear muffin-tin orbital calculations, the computed density of states and band structures compare well with those from more accurate {ital ab}{ital initio} calculations. Disordered alloys are studied within the tight-binding coherent-potential approximation extended to alloys; energetics of ordered systems are obtained through effective pair interactions computed with the general perturbation method; and partially ordered alloys are studied with a novel simplification of the molecular coherent-potential approximation combined with the general perturbation method. The formalism is applied to bcc-based Zr-Ru-Pd alloys which are promising candidates for medical implant devices. Using energetics obtained from the above scheme, we apply the cluster- variation method to study phase equilibria for particular pseudo- binary alloys and show that results are consistent with observed behavior of electronic specific heat coefficient with composition for Zr{sub 0.5}(Ru, Pd){sub 0.5}.

  2. Transmission properties of one-dimensional ternary plasma photonic crystals

    SciTech Connect

    Shiveshwari, Laxmi; Awasthi, S. K.

    2015-09-15

    Omnidirectional photonic band gaps (PBGs) are found in one-dimensional ternary plasma photonic crystals (PPC) composed of single negative metamaterials. The band characteristics and transmission properties are investigated through the transfer matrix method. We show that the proposed structure can trap light in three-dimensional space due to the elimination of Brewster's angle transmission resonance allowing the existence of complete PBG. The results are discussed in terms of incident angle, layer thickness, dielectric constant of the dielectric material, and number of unit cells (N) for TE and TM polarizations. It is seen that PBG characteristics is apparent even in an N ≥ 2 system, which is weakly sensitive to the incident angle and completely insensitive to the polarization. Finite PPC could be used for multichannel transmission filter without introducing any defect in the geometry. We show that the locations of the multichannel transmission peaks are in the allowed band of the infinite structure. The structure can work as a single or multichannel filter by varying the number of unit cells. Binary PPC can also work as a polarization sensitive tunable filter.

  3. Growth Mechanism of Nanowires: Binary and Ternary Chalcogenides

    NASA Technical Reports Server (NTRS)

    Singh, N. B.; Coriell, S. R.; Su, Ching-Hua; Hopkins, R. H.; Arnold, B.; Choa, Fow-Sen; Cullum, Brian

    2016-01-01

    Semiconductor nanowires exhibit very exciting optical and electrical properties including high transparency and a several order of magnitude better photocurrent than thin film and bulk materials. We present here the mechanism of nanowire growth from the melt-liquid-vapor medium. We describe preliminary results of binary and ternary selenide materials in light of recent theories. Experiments were performed with lead selenide and thallium arsenic selenide systems which are multifunctional material and have been used for detectors, acousto-optical, nonlinear and radiation detection applications. We observed that small units of nanocubes and elongated nanoparticles arrange and rearrange at moderate melt undercooling to form the building block of a nanowire. Since we avoided the catalyst, we observed self-nucleation and uncontrolled growth of wires from different places. Growth of lead selenide nanowires was performed by physical vapor transport method and thallium arsenic selenide nanowire by vapor-liquid-solid (VLS) method. In some cases very long wires (>mm) are formed. To achieve this goal experiments were performed to create situation where nanowires grew on the surface of solid thallium arsenic selenide itself.

  4. Diffuse interface simulation of ternary fluids in contact with solid

    NASA Astrophysics Data System (ADS)

    Zhang, Chun-Yu; Ding, Hang; Gao, Peng; Wu, Yan-Ling

    2016-03-01

    In this article we developed a geometrical wetting condition for diffuse-interface simulation of ternary fluid flows with moving contact lines. The wettability of the substrate in the presence of ternary fluid flows is represented by multiple contact angles, corresponding to the different material properties between the respective fluid and the substrate. Displacement of ternary fluid flows on the substrate leads to the occurrence of moving contact point, at which three moving contact lines meet. We proposed a weighted contact angle model, to replace the jump in contact angle at the contact point by a relatively smooth transition of contact angle over a region of 'diffuse contact point' of finite size. Based on this model, we extended the geometrical formulation of wetting condition for two-phase flows with moving contact lines to ternary flows with moving contact lines. Combining this wetting condition, a Navier-Stokes solver and a ternary-fluid model, we simulated two-dimensional spreading of a compound droplet on a substrate, and validated the numerical results of the drop shape at equilibrium by comparing against the analytical solution. We also checked the convergence rate of the simulation by investigating the axisymmetric drop spreading in a capillary tube. Finally, we applied the model to a variety of applications of practical importance, including impact of a circular cylinder into a pool of two layers of different fluids and sliding of a three-dimensional compound droplet in shear flows.

  5. An Efficient Approach Towards the Photodegradation of Indigo Carmine by Introducing ZnO/CuO/Si Ternary Nanocomposite as Photocatalyst

    NASA Astrophysics Data System (ADS)

    Dhara, Arnab; Baral, Apurba; Chabri, Sumit; Sinha, Arijit; Bandyopadhyay, Nil Ratan; Mukherjee, Nillohit

    2016-05-01

    The authors report a facile route for the large scale synthesis of CuO/ZnO/Si ternary system achieved by non-equilibrium synthesis using High Energy Ball Milling (HEBM) technique. The synthesized material was found highly efficient for the photo-degradation of a hazardous dye Indigo Carmine, a widely used dye in textile industries with major threats to our environment. The structural properties of the prepared material were evaluated using X-ray diffraction and field emission scanning electron microscopy, which revealed, that the optimization of milling duration plays a crucial role for the formation of such ternary system. UV-Vis-NIR spectroscopy yielded broadband absorption of light over the region 1100-350 nm. The photocatalytic activities of CuO/ZnO/Si ternary system were systematically explored by monitoring the fall in specific absorption peak intensity of the aqueous Indigo Carmine solution exposed under artificial light source.

  6. Aspects of the SrO-CuO-TiO2 Ternary System Related to the Deposition of SrTiO3 and Copper-Doped SrTiO3 Thin-Film Buffer Layers

    SciTech Connect

    A. Ayala

    2004-12-20

    YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} (YBCO) coated conductors are promising materials for large-scale superconductivity applications. One version of a YBCO coated conductor is based on ion beam assisted deposition (IBAD) of magnesium oxide (MgO) onto polycrystalline metal substrates. SrTiO{sub 3} (STO) is often deposited by physical vapor deposition (PVD) methods as a buffer layer between the YBCO and IBAD MgO due to its chemical stability and lattice mismatch of only {approx}1.5% with YBCO. In this work, some aspects of the stability of STO with respect to copper (Cu) and chemical solution deposition of STO on IBAD MgO templates were examined. Solubility limits of Cu in STO were established by processing Cu-doped STO powders by conventional bulk preparation techniques. The maximum solubility of Cu in STO was {approx}1% as determined by transmission electron microscopy (TEM) and Rietveld refinements of x-ray diffraction (XRD) data. XRD analysis, performed in collaboration with NIST, on powder compositions on the STO/SrCuO{sub 2} tie line did not identify any ternary phases. SrCu{sub 0.10}Ti{sub 0.90}O{sub y} buffer layers were prepared by pulsed laser deposition (PLD) and CSD on IBAD MgO flexible metallic textured tapes. TEM analysis of a {approx}100 nm thick SrCu{sub 0.10}Ti{sub 0.90}O{sub y} buffer layer deposited by PLD showed a smooth Cu-doped STO/MgO interface. A {approx}600 nm thick YBCO film, deposited onto the SrCu{sub 0.10}Ti{sub 0.90}O{sub y} buffer by PLD, exhibited a T{sub c} of 87 K and critical current density (J{sub c}) of {approx}1 MA/cm{sup 2}. STO and Cu-doped STO thin films by CSD were {approx}30 nm thick. The in plane alignment (FWHM) after deposition of the STO improved by {approx}1{sup o} while it degraded by {approx}2{sup o} with the SrCu{sub 0.05}TiO{sub y} buffer. YBCO was deposited by PLD on the STO and SrCu{sub 0.05}TiO{sub y} buffers. The in plane alignment (FWHM) of the YBCO with the STO buffer layer slightly improved while that of the

  7. True ternary fission, the collinear decay into fragments of similar size in the 252Cf(sf) and 235U(nth, f) reactions

    NASA Astrophysics Data System (ADS)

    von Oertzen, W.; Nasirov, A. K.

    2014-06-01

    The collinear cluster decay in 252Cf(sf, fff), with three cluster fragments of different masses (e.g. 132Sn, 52-48Ca, 68-72Ni), which has been observed by the FOBOS group in JINR, has established a new decay mode of heavy nuclei, the collinear cluster tripartition (CCT). The same type of ternary fission decay has been observed in the reaction 235U(nth, fff). This kind of “true ternary fission” of heavy nuclei has been predicted many times in theoretical works during the last decades. In the present note we discuss true ternary fission (TFFF) into three nuclei of almost equal size (e.g. Z=98→Zi=32, 34, 32) in the same systems. The possible fission channels are predicted from potential-energy (PES) calculations. These PES's show pronounced minima for several ternary fragmentation decays, e.g. for 252Cf(sf) and for 235U(nth, f). They suggest the existence of a variety of collinear ternary fission modes. The TFFF-decays chosen in this letter have very similar dynamical features as the previously observed collinear CCT-decays. The data obtained in the above mentioned experiments allow us to extract the yield for these TFFF-decays in both systems by using specific gates on the measured parameters. These yields are a few 1.0ṡ10-6/(binary fission).

  8. Ternary eutectic dendrites: Pattern formation and scaling properties

    SciTech Connect

    Rátkai, László; Szállás, Attila; Pusztai, Tamás; Mohri, Tetsuo; Gránásy, László

    2015-04-21

    Extending previous work [Pusztai et al., Phys. Rev. E 87, 032401 (2013)], we have studied the formation of eutectic dendrites in a model ternary system within the framework of the phase-field theory. We have mapped out the domain in which two-phase dendritic structures grow. With increasing pulling velocity, the following sequence of growth morphologies is observed: flat front lamellae → eutectic colonies → eutectic dendrites → dendrites with target pattern → partitionless dendrites → partitionless flat front. We confirm that the two-phase and one-phase dendrites have similar forms and display a similar scaling of the dendrite tip radius with the interface free energy. It is also found that the possible eutectic patterns include the target pattern, and single- and multiarm spirals, of which the thermal fluctuations choose. The most probable number of spiral arms increases with increasing tip radius and with decreasing kinetic anisotropy. Our numerical simulations confirm that in agreement with the assumptions of a recent analysis of two-phase dendrites [Akamatsu et al., Phys. Rev. Lett. 112, 105502 (2014)], the Jackson-Hunt scaling of the eutectic wavelength with pulling velocity is obeyed in the parameter domain explored, and that the natural eutectic wavelength is proportional to the tip radius of the two-phase dendrites. Finally, we find that it is very difficult/virtually impossible to form spiraling two-phase dendrites without anisotropy, an observation that seems to contradict the expectations of Akamatsu et al. Yet, it cannot be excluded that in isotropic systems, two-phase dendrites are rare events difficult to observe in simulations.

  9. Bacterial exudate effects on Cu2+ sorption by cells: Quantifying significant ternary interactions

    NASA Astrophysics Data System (ADS)

    Swedlund, Peter J.; Moreau, Magali; Daughney, Christopher J.

    2015-01-01

    Bacteria exude a range of ligands which have diverse effects on trace metal geochemistry. This study evaluated the effect of ligands exuded by the bacterium Anoxybacillus flavithermus on the aqueous geochemistry of Cu2+. Proton and Cu2+ binding by the exudate ligands were investigated via potentiometric titrations and polarographic studies, respectively. Despite the apparent complexity of the system the Cu2+-exudate interaction was well described by a single model reaction H2L + Cu2+ ⇔ LCu + 2H+. In a bacterial cell suspension the aqueous phase concentration of exudate ligands increased almost linearly with the age of the suspension. After 48 h the exuded ligands had roughly the same total binding capacity for Cu2+ as the cells from which they were derived. To investigate the significance of the exudate on Cu2+ uptake by the bacterial cells sorption experiments were conducted in ternary systems with bacterial cells and a range of concentrations of a well characterized exudate. The systems were modeled with the parameters derived from the binary Cu2+-cells and Cu2+-exudate experiments. Under conditions where the binary model parameters predicted that the exudate ligand would hold all of the Cu2+ in solution there was unexpectedly appreciable Cu2+ sorption by the cells. This indicated the presence of significant ternary interactions involving the Cu2+, the cell surface sites and the exudate. The observations could be reasonably well described by adding to the binary model reactions a single reaction for a ternary complex with stoichiometry R2CuLH0 where R2 represents a cell wall binding site. The exudate ligands produced by bacterial cells had a significant effect on Cu2+ partitioning between the solution and solid phases under the experimental conditions employed. However, the study shows that the strong complexes that exudate ligands can form with trace metals do not necessarily inhibit trace metal uptake by cells to the extent expected from first principles.

  10. Mathematical methods for restricted domain ternary liquid mixture free energy determination using light scattering.

    PubMed

    Wahle, Chris W; Ross, David S; Thurston, George M

    2013-09-28

    We extend methods of solution of a light scattering partial differential equation for the free energy of mixing to apply to connected, isotropic ternary liquid composition domains that do not touch all three binary axes. To do so we mathematically analyze the problem of inferring needed Dirichlet boundary data, and solving for the free energy, with use of hypothetical static light scattering measurements that correspond to dielectric composition gradient vectors that have distinct directions. The physical idea behind the technique is that contrasting absorption properties of mixture components can result in such distinctly directed dielectric composition gradient vectors, due to their differing wavelength dependences of dielectric response. At suitably chosen wavelengths, contrasting light scattering efficiency patterns in the ternary composition triangle can then correspond to the same underlying free energy, and enlarge the scope of available information about the free energy, as shown here. We show how to use distinctly directed dielectric gradients to measure the free energy on both straight lines and curves within the ternary composition triangle, so as to provide needed Dirichlet conditions for light scattering partial differential equation solution. With use of Monte Carlo simulations of noisy light scattering data, we provide estimates of the overall system measurement time and sample spacing needed to determine the free energy to a desired degree of accuracy, for various angles between the assumed dielectric gradient vectors, and indicate how the measurement time depends on instrumental throughput parameters. The present analysis methods provide a way to use static light scattering to measure, directly, mixing free energies of many systems that contain such restricted liquid domains, including aqueous solutions of biological macromolecules, micellar mixtures and microemulsions, and many small molecule systems that are important in separation technology.

  11. Mathematical methods for restricted domain ternary liquid mixture free energy determination using light scattering

    NASA Astrophysics Data System (ADS)

    Wahle, Chris W.; Ross, David S.; Thurston, George M.

    2013-09-01

    We extend methods of solution of a light scattering partial differential equation for the free energy of mixing to apply to connected, isotropic ternary liquid composition domains that do not touch all three binary axes. To do so we mathematically analyze the problem of inferring needed Dirichlet boundary data, and solving for the free energy, with use of hypothetical static light scattering measurements that correspond to dielectric composition gradient vectors that have distinct directions. The physical idea behind the technique is that contrasting absorption properties of mixture components can result in such distinctly directed dielectric composition gradient vectors, due to their differing wavelength dependences of dielectric response. At suitably chosen wavelengths, contrasting light scattering efficiency patterns in the ternary composition triangle can then correspond to the same underlying free energy, and enlarge the scope of available information about the free energy, as shown here. We show how to use distinctly directed dielectric gradients to measure the free energy on both straight lines and curves within the ternary composition triangle, so as to provide needed Dirichlet conditions for light scattering partial differential equation solution. With use of Monte Carlo simulations of noisy light scattering data, we provide estimates of the overall system measurement time and sample spacing needed to determine the free energy to a desired degree of accuracy, for various angles between the assumed dielectric gradient vectors, and indicate how the measurement time depends on instrumental throughput parameters. The present analysis methods provide a way to use static light scattering to measure, directly, mixing free energies of many systems that contain such restricted liquid domains, including aqueous solutions of biological macromolecules, micellar mixtures and microemulsions, and many small molecule systems that are important in separation technology.

  12. Ternary liquid-liquid equilibria measurement for epoxidized soybean oil + acetic acid + water.

    PubMed

    Cai, Shuang-Fei; Wang, Li-Sheng; Yan, Guo-Qing; Li, Yi; Feng, Yun-Xia; Linghu, Rong-Gang

    2012-01-01

    Liquid-liquid equilibria (LLE) data were measured for ternary system epoxidized soybean oil (ESO) + acetic acid + water at 313.15, 323.15 and 333.15 K, respectively. The consistency of the measured LLE data was tested, using Othmer-Tobias correlation and root-mean-square deviation (sigma) in mass fraction of water in the lower phase and average value of the absolute difference (AAD) between experimental mass fraction of epoxidized soybean oil in the upper phase and that calculated using Othmer-Tobias correlation.

  13. Conversion of Cartesian coordinates from and to Generalized Balanced Ternary addresses

    USGS Publications Warehouse

    van Roessel, Jan W.

    1988-01-01

    Hexagonal grids have several advantages over square grids, such as a greater angular resolution and unambiguous connectivity. The Generalized Balanced Ternary (GBT) system is a spatial addressing method for hexagonal grids in which the hexagons are arranged in hierarchical aggregates, and which accommodates vector operations in GBT space. Efficient algorithms for converting Cartesian coordinates from and to GBT addresses are based on the dual representation of the hexagonal tessellation. The GBT-to-Cartesian algorithm is an order of magnitude faster than the Cartesian-to-GBT algorithm, the latter requiring interpolation and GBT addition for each digit of the generated GBT address.

  14. Interdiffusion in Ternary Magnesium Solid Solutions of Aluminum and Zinc

    DOE PAGES

    Kammerer, Catherine; Kulkarni, Nagraj S; Warmack, Robert J Bruce; Sohn, Yong Ho

    2016-01-11

    Al and Zn are two of the most common alloying elements in commercial Mg alloys, which can improve the physical properties through solid solution strengthening and precipitation hardening. Diffusion plays a key role in the kinetics of these and other microstructural design relevant to Mg-alloy development. However, there is a lack of multicomponent diffusion data available for Mg alloys. Through solid-to-solid diffusion couples, diffusional interactions of Al and Zn in ternary Mg solid-solution at 400° and 450 °C were examined by an extension of the Boltzmann-Matano analysis based on Onsager s formalism. Concentration profiles of Mg-Al-Zn ternary alloys were determinedmore » by electron probe microanalysis, and analyzed to determine the ternary interdiffusion coefficients as a function of composition. Zn was determined to interdiffuse the fastest, followed by Mg and Al. Appreciable diffusional interactions among Mg, Al, and Zn were observed by variations in sign and magnitude of cross interdiffusion coefficients. In particular, Zn was found to significantly influence the interdiffusion of Mg and Al significantly: the and ternary cross interdiffusion coefficients were both negative, and large in magnitude, in comparison to and , respectively. Al and Mg were observed influence the interdiffusion of Mg and Al, respectively, with positive and interdiffusion coefficients, but their influence on the Zn interdiffusion was negligible.« less

  15. Making Ternary Quantum Dots From Single-Source Precursors

    NASA Technical Reports Server (NTRS)

    Bailey, Sheila; Banger, Kulbinder; Castro, Stephanie; Hepp, Aloysius

    2007-01-01

    A process has been devised for making ternary (specifically, CuInS2) nanocrystals for use as quantum dots (QDs) in a contemplated next generation of high-efficiency solar photovoltaic cells. The process parameters can be chosen to tailor the sizes (and, thus, the absorption and emission spectra) of the QDs.

  16. A Simple Refraction Experiment for Probing Diffusion in Ternary Mixtures

    ERIC Educational Resources Information Center

    Coutinho, Cecil A.; Mankidy, Bijith D.; Gupta, Vinay K.

    2010-01-01

    Diffusion is a fundamental phenomenon that is vital in many chemical processes such as mass transport in living cells, corrosion, and separations. We describe a simple undergraduate-level experiment based on Weiner's Method to probe diffusion in a ternary aqueous mixture of small molecular-weight molecules. As an illustration, the experiment…

  17. Using Nuclear Magnetic Resonance Spectroscopy for Measuring Ternary Phase Diagrams

    ERIC Educational Resources Information Center

    Woodworth, Jennifer K.; Terrance, Jacob C.; Hoffmann, Markus M.

    2006-01-01

    A laboratory experiment is presented for the upper-level undergraduate physical chemistry curriculum in which the ternary phase diagram of water, 1-propanol and n-heptane is measured using proton nuclear magnetic resonance (NMR) spectroscopy. The experiment builds upon basic concepts of NMR spectral analysis, typically taught in the undergraduate…

  18. Ternary diffusion path in terms of eigenvalues and eigenvectors

    NASA Astrophysics Data System (ADS)

    Ram-Mohan, L. R.; Dayananda, Mysore A.

    2016-04-01

    Based on the transfer matrix methodology, a new analysis is presented for the description of slopes of the ternary diffusion path for a solid-solid diffusion couple. Concentration profiles and diffusion paths for isothermal, ternary diffusion couples are examined in the context of eigenvalues and eigenvectors obtained from the diagonalisation of the ? ternary interdiffusion coefficients employed for their representation. New relations are derived relating the decoupled interdiffusion fluxes to combinations of concentration gradients through the major and minor eigenvalues, and the diffusion path becomes parallel to the major eigenvector at each path end. General expressions for the slope of the ternary diffusion path at any section of the couple are also derived in terms of eigenvalue and eigenvector parameters. Expressions for the path slope at the Matano plane involve only concentrations, major and minor eigenvalues and eigenvector parameters. New constraints relating the eigenvalues and the concentration gradients of the individual components are also presented at selected sections, where the diffusion path is parallel to the straight line joining the terminal composition points on an isotherm. Applications of the various relations are illustrated with the aid of a hypothetical couple and an experimental Cu-Ni-Zn diffusion couple.

  19. Application of Analytic Geometry to Ternary and Quaternary Diagrams.

    ERIC Educational Resources Information Center

    MacCarthy, Patrick

    1986-01-01

    Advantages of representing ternary and quaternary composition diagrams by means of rectangular coordinates were pointed out in a previous paper (EJ 288 693). A further advantage of that approach is that analytic geometry, based on rectangular coordinates, is directly applicable as demonstrated by the examples presented. (JN)

  20. Discovery of the ternary nanolaminated compound Nb2GeC by a systematic theoretical-experimental approach.

    PubMed

    Eklund, Per; Dahlqvist, Martin; Tengstrand, Olof; Hultman, Lars; Lu, Jun; Nedfors, Nils; Jansson, Ulf; Rosén, Johanna

    2012-07-20

    Since the advent of theoretical materials science some 60 years ago, there has been a drive to predict and design new materials in silicio. Mathematical optimization procedures to determine phase stability can be generally applicable to complex ternary or higher-order materials systems where the phase diagrams of the binary constituents are sufficiently known. Here, we employ a simplex-optimization procedure to predict new compounds in the ternary Nb-Ge-C system. Our theoretical results show that the hypothetical Nb2GeC is stable, and excludes all reasonably conceivable competing hypothetical phases. We verify the existence of the Nb2GeC phase by thin film synthesis using magnetron sputtering. This hexagonal nanolaminated phase has a and c lattice parameters of ∼3.24  Å and 12.82 Å.

  1. Discovery of the Ternary Nanolaminated Compound Nb2GeC by a Systematic Theoretical-Experimental Approach

    NASA Astrophysics Data System (ADS)

    Eklund, Per; Dahlqvist, Martin; Tengstrand, Olof; Hultman, Lars; Lu, Jun; Nedfors, Nils; Jansson, Ulf; Rosén, Johanna

    2012-07-01

    Since the advent of theoretical materials science some 60 years ago, there has been a drive to predict and design new materials in silicio. Mathematical optimization procedures to determine phase stability can be generally applicable to complex ternary or higher-order materials systems where the phase diagrams of the binary constituents are sufficiently known. Here, we employ a simplex-optimization procedure to predict new compounds in the ternary Nb-Ge-C system. Our theoretical results show that the hypothetical Nb2GeC is stable, and excludes all reasonably conceivable competing hypothetical phases. We verify the existence of the Nb2GeC phase by thin film synthesis using magnetron sputtering. This hexagonal nanolaminated phase has a and c lattice parameters of ˜3.24Å and 12.82 Å.

  2. Synthesis and optical properties of core/shell ternary/ternary CdZnSe/ZnSeS quantum dots

    NASA Astrophysics Data System (ADS)

    Nguyen, Hai Yen; de Marcillac, Willy Daney; Lethiec, Clotilde; Phan, Ngoc Hong; Schwob, Catherine; Maître, Agnès; Nguyen, Quang Liem; Le, Van Vu; Bénalloul, Paul; Coolen, Laurent; Thu Nga, Pham

    2014-07-01

    In this paper we report on the synthesis of ternary/ternary alloyed CdZnSe/ZnSeS core/shell quantum dots (QDs) by embryonic nuclei-induced alloying process. We synthesized CdZnSe core QDs emitting in the spectral range of 530-607 nm with various Cd/Zn ratios, depending on the core synthesis temperature. By shelling ZnSeS on the CdZnSe core QDs, the average luminescence quantum yield is increased by a typical factor of 2 up to 17, which we attribute to the reduction of number of non-emitting QDs. The single-photon emitter micro-photoluminescence study showed that the CdZnSe/ZnSeS core/shell QDs are good single-photon emitters and their blinking properties were improved compared to the CdZnSe core QDs. Quantum yields up to 25% were measured for the core/shell samples, demonstrating the potential for high-quality ternary/ternary QDs fabrication.

  3. Synthesis and characterization of some binary and ternary zirconium iodides

    SciTech Connect

    Guthrie, D.H.

    1981-10-01

    Studies of binary ZrI/sub 4/-Zr and ternary CsI-Zr-ZrI/sub 4/ systems have produced several new compounds. The new binary compounds include two polymorphs of ZrI/sub 2/ (..cap alpha.. and ..beta..) as well as a phase described earlier as ZrI/sub 1/ /sub 8/. ..cap alpha..-ZrI/sub 2/ forms as black lath-like crystals by vapor phase transport reactions between Zr and ZrI/sub 4/ from 700 to 825/sup 0/C. Its structure is monoclinic space group P2/sub 1//m with a = 6.821(2), b = 3.741(1), c = 14.937(3) A and ..beta.. = 95.66(3)/sup 0/, Z = 4 (R = 0.064). ..beta..-ZrI/sub 2/ is formed as black gem-like crystals between 800 to 975/sup 0/C, crystallizing in the trigonal space group R anti 3 with hexagonal axes a = 14.502(2) and c = 9.996(2) A, Z = 18 (R = 0.109). This phase contains a Zr/sub 6/I/sub 12/ cluster. Guinier x-ray powder diffraction data previously reported for ZrI/sub 1/ /sub 8/ has now been found to arise from ..cap alpha..-ZrI/sub 2/ intergrown with an orthorhombic ZrI/sub 2/ phase (perhaps isostructural with WTe/sub 2/ plus an unknown phase. The ternary compounds include Cs/sub 2/ZrI/sub 6/, Cs/sub 3/Zr/sub 2/T/sub 9/ and CsZr/sub 6/I/sub 14/. The first is isostructural with K/sub 2/PtCl/sub 6/. Cs/sub 3/Zr/sub 2/I/sub 9/ is formed from the reaction of CsI, ZrI/sub 4/ and Zr between 700 to 900/sup 0/C as black gem-like crystals which crystallize in the space group P6/sub 3//mmc with a = 8.269(1) and c = 19.908(3) A, z = 2. This phase was found to have a Cs/sub 3/Cr/sub 2/Cl/sub 9/-type structure, d/sub Zr-Zr/ = 3.134(4) A (R = 0.087). CsZr/sub 6/I/sub 14/ forms both rod and gem crystals by the same reaction with more metal between 900 to 950/sup 0/C. It crystallizes in the orthorhombic space group Ccmb with a = 14.275(4), b = 15.880(4) and c = 12.953 (4) A (R = 0.062). This phase also contains a Zr/sub 6/I/sub 12/ cluster.

  4. Development of ternary alloy cathode catalysts for phosphoric acid fuel cells: Final report

    SciTech Connect

    Jalan, V.; Kosek, J.; Giner, J.; Taylor, E. J.; Anderson, E.; Bianchi, V.; Brooks, C.; Cahill, K.; Cropley, C.; Desai, M.; Frost, D.; Morriseau, B.; Paul, B.; Poirier, J.; Rousseau, M.; Swette, L.; Waterhouse, R.

    1988-11-01

    The overall objective of the program was the identification development and incorporation of high activity platinum ternary alloys on corrosion resistant supports, for use in advanced phosphoric acid fuel cells. Two high activity ternary alloys, Pr-Cr-Ce and Pt-Ni-Co, both supported on Vulcan XC-72, were identified during the course of the program. The Pr-Ni-Co system was selected for optimization, including preparation and evaluation on corrosion resistant supports such as 2700/degree/C heat-treated Vulcan XC-72 and 2700/degree/ heat-treated Black Pearls 2000. A series of tests identified optimum metal ratios, heat-treatment temperatures and heat-treatment atmospheres for the Pr-Ni-Co system. During characterization testing, it was discovered that approximately 50% of the nickel and cobalt present in the starting material could be removed, subsequent to alloy formation, without degrading performance. Extremely stable full cell performance was observed for the Pt-Ni-Co system during a 10,000 hour atmosphere pressure life test. Several theories are proposed to explain the enhancement in activity due to alloy formation. Recommendations are made for future research in this area. 62 refs., 23 figs., 27 tabs.

  5. Towards a ternary NIRS-BCI: single-trial classification of verbal fluency task, Stroop task and unconstrained rest

    NASA Astrophysics Data System (ADS)

    Schudlo, Larissa C.; Chau, Tom

    2015-12-01

    Objective. The majority of near-infrared spectroscopy (NIRS) brain-computer interface (BCI) studies have investigated binary classification problems. Limited work has considered differentiation of more than two mental states, or multi-class differentiation of higher-level cognitive tasks using measurements outside of the anterior prefrontal cortex. Improvements in accuracies are needed to deliver effective communication with a multi-class NIRS system. We investigated the feasibility of a ternary NIRS-BCI that supports mental states corresponding to verbal fluency task (VFT) performance, Stroop task performance, and unconstrained rest using prefrontal and parietal measurements. Approach. Prefrontal and parietal NIRS signals were acquired from 11 able-bodied adults during rest and performance of the VFT or Stroop task. Classification was performed offline using bagging with a linear discriminant base classifier trained on a 10 dimensional feature set. Main results. VFT, Stroop task and rest were classified at an average accuracy of 71.7% ± 7.9%. The ternary classification system provided a statistically significant improvement in information transfer rate relative to a binary system controlled by either mental task (0.87 ± 0.35 bits/min versus 0.73 ± 0.24 bits/min). Significance. These results suggest that effective communication can be achieved with a ternary NIRS-BCI that supports VFT, Stroop task and rest via measurements from the frontal and parietal cortices. Further development of such a system is warranted. Accurate ternary classification can enhance communication rates offered by NIRS-BCIs, improving the practicality of this technology.

  6. Preparation and application of agar/alginate/collagen ternary blend functional food packaging films.

    PubMed

    Wang, Long-Feng; Rhim, Jong-Whan

    2015-09-01

    Ternary blend agar/alginate/collagen (A/A/C) hydrogel films with silver nanoparticles (AgNPs) and grapefruit seed extract (GSE) were prepared. Their performance properties, transparency, tensile strength (TS), water vapor permeability (WVP), water contact angle (CA), water swelling ratio (SR), water solubility (WS), and antimicrobial activity were determined. The A/A/C film was highly transparent, and both AgNPs and GSE incorporated blend films (A/A/C(AgNPs) and A/A/C(GSE)) exhibited UV-screening effect, especially, the A/A/C(GSE) film had high UV-screening effect without sacrificing the transmittance. In addition, the A/A/C blend films formed efficient hydrogel film with the water holding capacity of 23.6 times of their weight. Both A/A/C(AgNPs) and A/A/C(GSE) composite films exhibited strong antimicrobial activity against both Gram-positive (Listeria monocytogenes) and Gram-negative (Escherichia coli) food-borne pathogenic bacteria. The test results of fresh potatoes packaging revealed that all the A/A/C ternary blend films prevented forming of condensed water on the packaged film surface, both A/A/C(AgNPs) and A/A/C(GSE) composite films prevented greening of potatoes during storage. The results indicate that the ternary blend hydrogel films incorporated with AgNPs or GSE can be used not only as antifogging packaging films for highly respiring fresh agriculture produce, but also as an active food packaging system utilizing their strong antimicrobial activity. PMID:26187189

  7. Ternary and quaternary oxides of Bi, Sr, and Cu

    NASA Technical Reports Server (NTRS)

    Casais, M. T.; Millan, P.; Rasines, I.; Campa, J. A.

    1990-01-01

    Before the discovery of superconductivity in an oxide of Bi, Sr, and Cu, the system Bi-Sr-Cu-O had not been studied, although several solid phases had been identified in the two-component regions of the ternary system Bi2O3-SrO-CuO. The oxides Sr2CuO3, SrCu2O2, SrCuO2, and Bi2CuO4 were then well known and characterized, and the phase diagram of the binary system Bi2O3 -SrO had been established in the temperature range 620 to 1000 C. Besides nine solutions of compositions Bi(2-2x) Sr(x) O(3-2x) and different symmetries, this diagram includes three definite compounds of stoichiometries Bi(2)SrO4, Bi2Sr2O5, and Bi2Sr3O6 (x = 0.50, 0.67 and 0.75 respectively), only the second of which with known unit-cell of orthorhombic symmetry, dimensions (A) a = 14.293(2), b = 7.651(2), c = 6.172(1), and z = 4. The first superconducting oxide in the system Bi-Sr-Cu-O was initially formulated as Bi2Sr2Cu2O(7+x), with an orthorhombic unit-cell of parameters (A) a = 5.32, b = 26.6, c = 48.8. In a preliminary study the same oxide was formulated with half the copper content, Bi(2)Sr(2)CuO(6+x), and indexed its reflections assuming an orthorhombic unit-cell of dimensions (A) a = 5.390(2), b = 26.973(8), c = 24.69(4). Subsequent studies by diffraction techniques have confirmed the composition 2:2:1. A new family of oxygen-deficient perovskites, was characterized, after identifying by x ray diffraction the phases present in the products of thermal treatments of about 150 mixtures of analytical grade Bi2O3, Sr(OH)2-8H2O and CuO at different molar ratios. X ray diffraction data are presented for some other oxides of Bi and Sr, as well as for various quaternary oxides, among them an oxide of Bi, Sr, and Cu.

  8. Ternary and quaternary oxides of Bi, Sr and Cu

    NASA Technical Reports Server (NTRS)

    Casais, M. T.; Millan, P.; Rasines, I.; Campa, J. A.

    1991-01-01

    Before the discovery of superconductivity in an oxide of Bi, Sr, and Cu, the system Bi-Sr-Cu-O had not been studied, although several solid phases had been identified in the two-component regions of the ternary system Bi2O3-Si-O-CuO. The oxides Sr2CuO3, SrCu2O2, SrCuO2, and Bi2CuO4 were then well known and characterized, and the phase diagram of the binary system Bi2O3-SrO had been established in the temperature range 620 to 1000 C. Besides nine solutions of compositions Bi(2-2x) Sr(x) O(3-2x) and different symmetries, this diagram includes three definite compounds of stoichiometries Bi(2)BrO4. Bi2Sr2O5, and Bi2Sr3O6 (x - 0.50, 0.67 and 0.75 respectively), only the second of which with known unit-cell of orthorhombic symmetry, dimensions (A) a = 14.293(2), b = 7.651(2), c = 6.172(1), and z = 4. The first superconducting oxide in the system Bi-Sr-Cu-O was initially formulated as Bi2Sr2Cu2O(7+x), with an orthorhombic unit-cell of parameters (A) a = 5.32, b = 26.6, c = 48.8. In a preliminary study the same oxide was formulated with half the copper content, Bi(2)Sr(2)CuO(6+x), and index its reflections assuming an orthorhombic unit-cell of dimensions (A) a = 5.390(2), b = 26.973(8), c = 24.69(4). Subsequent studies by diffraction techniques have confirmed the composition 2:2:1. A new family of oxygen-deficient perovskites, was characterized, after identifying by x ray diffraction the phases present in the products of thermal treatments of about 150 mixtures of analytical grade Bi2O3, Sr(OH)2-8H2O and CuO at different molar ratios. X ray diffraction data are presented for some other oxides of Bi and Sr, as well as for various quaternary oxides, among them an oxide of Bi, Sr, and Cu.

  9. Unexpected phase assemblages in inclusions with ternary H2O-salt fluids at low temperatures

    NASA Astrophysics Data System (ADS)

    Bakker, Ronald J.; Baumgartner, Miriam

    2012-06-01

    Phase assemblages and temperatures of phase changes provide important information about the bulk properties of fluid inclusions, and are typically obtained by microthermometry. Inclusions are synthesized in natural quartz containing an aqueous fluid with a composition in the ternary systems of H2O-NaCl2-CaCl2, H2O-NaCl-MgCl2, and H2O-CaCl2-MgCl2. This study reveals that these fluid inclusions may behave highly unpredictably at low temperatures due to the formation of metastable phase assemblages. Eutectic temperatures cannot be detected in most of the fluid inclusions containing these ternary systems. Nucleation of a variety of solid ice and salt-hydrate phases in single fluid inclusions is often partly inhibited. Raman spectroscopy at low temperatures provides an important tool for interpreting and understanding microthermometric experiments, and visualizing stable and metastable phase assemblages. Final dissolution temperatures of ice, salt-hydrates, and salt must be treated with care, as they can only be interpreted by purely empirical or thermodynamic models at stable conditions.

  10. Ternary phase diagrams of a thermoreversible chelating non-ionic surfactant.

    PubMed

    Nave, S; Testard, F; Coulombeau, H; Baczko, K; Larpent, C; Zemb, Th

    2009-04-21

    The behaviour of a di-block molecule associating a diamide group and a non-ionic surfactant (C(i)E(j)) is determined in a ternary surfactant/water/oil/system. Its properties are compared to the ones of a parent non-ionic surfactant C(i)E(j) through the limits of boundaries in the phase prisms. The existence of a stable microemulsion single phase in a defined temperature and concentration range is demonstrated. The extension of the microemulsion domain is limited by the presence of a gel, containing lyotropic liquid crystals as gelling agents. Temperature dependence is observed for the curvature below the temperature of zero spontaneous curvature, but the ternary system cannot produce reverse microemulsion as observed with classical C(i)E(j). The decrease of the mean curvature with temperature is inhibited by the presence of the diamide as a grafted complexing group. Liquid-liquid extraction processes with this type of surfactant are possible, but will require the presence of at least a fourth component to enlarge the water in an oil microemulsion domain. PMID:19421528

  11. Thermodynamic, kinetic and structural studies on the ternary palladium(II) complexes of thioether ligands.

    PubMed

    Nagy, Z; Fábián, I; Sóvágó, I

    2000-04-01

    Potentiometric, calorimetric, NMR and stopped-flow kinetic studies were performed on the palladium(II) complexes of thioether and/or nitrogen donor ligands. The ternary systems always contained a tridentate ligand (dien, terpy and dianions of dipeptides, GlyGly, GlyAla and GlyMet) and a monodentate thioether (AcMet). The stability constants of thioether complexes were obtained by indirect potentiometric measurements using uridine as a competitive ligand. The thermodynamic parameters revealed that selectivity of palladium(II) for thioether binding can be significantly influenced by the other donor atoms around the metal ion. [Pd(terpy)]2+ and [Pd(GlyMet)] had the lowest affinity for thioether binding and it was explained by steric and electronic effects. Ternary complexes of nitrogen donors have higher thermodynamic stability constants than the thioether complexes, but rate constants of the substitution reactions revealed that formation of thioether complexes is the faster reaction. As a consequence, the thermodynamic equilibrium state of a multicomponent system is characterized by the coordination of N-donors, which are formed via the existence of thioether-bonded intermediates. PMID:10830857

  12. Surface tension of liquid ternary Fe-Cu-Mo alloys measured by electromagnetic levitation oscillating drop method

    NASA Astrophysics Data System (ADS)

    Wang, H. P.; Luo, B. C.; Qin, T.; Chang, J.; Wei, B.

    2008-09-01

    For the liquid Fe-Cu-Mo ternary system, the surface tensions of three selected alloys, i.e., three typical monotectic alloys, were measured by the electromagnetic levitation oscillating drop method over a broad temperature range, including both superheated and undercooled states. The maximum undercooling attained is up to 173 K. The experimental results show a good linear correlation between the surface tension and the temperature. By applying on the Butler equation, the surface tensions were also calculated and they are in good agreement with the measured ones, except that in the undercooled state, the calculated value is slightly larger than the measured results. Interestingly, both the measured and calculated results indicate that the enriched element on the droplet surface is much more conspicuous than other elements in influencing the surface tension. Besides, the viscosity and the density of the liquid Fe-Cu-Mo ternary alloys are also derived on the grounds of the experimentally measured surface tensions.

  13. Designing ternary blend bulk heterojunction solar cells with reduced carrier recombination and a fill factor of 77%

    NASA Astrophysics Data System (ADS)

    Gasparini, Nicola; Jiao, Xuechen; Heumueller, Thomas; Baran, Derya; Matt, Gebhard J.; Fladischer, Stefanie; Spiecker, Erdmann; Ade, Harald; Brabec, Christoph J.; Ameri, Tayebeh

    2016-09-01

    In recent years the concept of ternary blend bulk heterojunction (BHJ) solar cells based on organic semiconductors has been widely used to achieve a better match to the solar irradiance spectrum, and power conversion efficiencies beyond 10% have been reported. However, the fill factor of organic solar cells is still limited by the competition between recombination and extraction of free charges. Here, we design advanced material composites leading to a high fill factor of 77% in ternary blends, thus demonstrating how the recombination thresholds can be overcome. Extending beyond the typical sensitization concept, we add a highly ordered polymer that, in addition to enhanced absorption, overcomes limits predicted by classical recombination models. An effective charge transfer from the disordered host system onto the highly ordered sensitizer effectively avoids traps of the host matrix and features an almost ideal recombination behaviour.

  14. Structural characterization of the ternary complex that mediates termination of NF-κB signaling by IκBα.

    PubMed

    Mukherjee, Sulakshana P; Quintas, Pedro O; McNulty, Reginald; Komives, Elizabeth A; Dyson, H Jane

    2016-05-31

    The transcription factor NF-κB is used in many systems for the transduction of extracellular signals into the expression of signal-responsive genes. Published structural data explain the activation of NF-κB through degradation of its dedicated inhibitor IκBα, but the mechanism by which NF-κB-mediated signaling is turned off by its removal from the DNA in the presence of newly synthesized IκBα (termed stripping) is unknown. Previous kinetic studies showed that IκBα accelerates NF-κB dissociation from DNA, and a transient ternary complex between NF-κB, its cognate DNA sequence, and IκBα was observed. Here we structurally characterize the >100-kDa ternary complex by NMR and negative stain EM and show a modeled structure that is consistent with the measurements. These data provide a structural basis for previously unidentified insights into the molecular mechanism of stripping. PMID:27185953

  15. Surface tension of liquid ternary Fe-Cu-Mo alloys measured by electromagnetic levitation oscillating drop method.

    PubMed

    Wang, H P; Luo, B C; Qin, T; Chang, J; Wei, B

    2008-09-28

    For the liquid Fe-Cu-Mo ternary system, the surface tensions of three selected alloys, i.e., three typical monotectic alloys, were measured by the electromagnetic levitation oscillating drop method over a broad temperature range, including both superheated and undercooled states. The maximum undercooling attained is up to 173 K. The experimental results show a good linear correlation between the surface tension and the temperature. By applying on the Butler equation, the surface tensions were also calculated and they are in good agreement with the measured ones, except that in the undercooled state, the calculated value is slightly larger than the measured results. Interestingly, both the measured and calculated results indicate that the enriched element on the droplet surface is much more conspicuous than other elements in influencing the surface tension. Besides, the viscosity and the density of the liquid Fe-Cu-Mo ternary alloys are also derived on the grounds of the experimentally measured surface tensions. PMID:19045047

  16. Influence of Droplet Size on the Growth of Self-Catalyzed Ternary GaAsP Nanowires.

    PubMed

    Zhang, Yunyan; Sanchez, Ana M; Sun, Yue; Wu, Jiang; Aagesen, Martin; Huo, Suguo; Kim, Dongyoung; Jurczak, Pamela; Xu, Xiulai; Liu, Huiyun

    2016-02-10

    The influences of droplet size on the growth of self-catalyzed ternary nanowires (NWs) were studied using GaAsP NWs. The size-induced Gibbs-Thomson (GT) effect makes the smaller catalytic droplets have lower effective supersaturations and hence slower nucleation rates than the larger ones. Large variation in droplet size thus led to the growth of NWs with low uniformity, while a good size uniformity of droplets resulted in the production of highly uniform NWs. Moreover, thinner NWs were observed to be richer in P, indicating that P is more resistant to the GT effect than As because of a higher chemical potential inside Ga droplets. These results provide useful information for understanding the mechanisms of self-catalyzed III-V NW nucleation and growth with the important ternary III-V material systems. PMID:26708002

  17. An engineered genetic selection for ternary protein complexes inspired by a natural three-component hitchhiker mechanism.

    PubMed

    Lee, Hyeon-Cheol; Portnoff, Alyse D; Rocco, Mark A; DeLisa, Matthew P

    2014-12-22

    The bacterial twin-arginine translocation (Tat) pathway is well known to translocate correctly folded monomeric and dimeric proteins across the tightly sealed cytoplasmic membrane. We identified a naturally occurring heterotrimer, the Escherichia coli aldehyde oxidoreductase PaoABC, that is co-translocated by the Tat translocase according to a ternary "hitchhiker" mechanism. Specifically, the PaoB and PaoC subunits, each devoid of export signals, are escorted to the periplasm in a piggyback fashion by the Tat signal peptide-containing subunit PaoA. Moreover, export of PaoA was blocked when either PaoB or PaoC was absent, revealing a surprising interdependence for export that is not seen for classical secretory proteins. Inspired by this observation, we created a bacterial three-hybrid selection system that links the formation of ternary protein complexes with antibiotic resistance. As proof-of-concept, a bispecific antibody was employed as an adaptor that physically crosslinked one antigen fused to a Tat export signal with a second antigen fused to TEM-1 β-lactamase (Bla). The resulting non-covalent heterotrimer was exported in a Tat-dependent manner, delivering Bla to the periplasm where it hydrolyzed β-lactam antibiotics. Collectively, these results highlight the remarkable flexibility of the Tat system and its potential for studying and engineering ternary protein interactions in living bacteria.

  18. Identifying patients for clinical trials using fuzzy ternary logic expressions on HL7 messages.

    PubMed

    Majeed, Raphael W; Röhrig, Rainer

    2011-01-01

    Identifying eligible patients is one of the most critical parts of any clinical trial. The process of recruiting patients for the third phase of any clinical trial is usually done manually, informing relevant physicians or putting notes on bulletin boards. While most necessary information is already available in electronic hospital information systems, required data still has to be looked up individually. Most university hospitals make use of a dedicated communication server to distribute information from independent information systems, e.g. laboratory information systems, electronic health records, surgery planning systems. Thus, a theoretical model is developed to formally describe inclusion and exclusion criteria for each clinical trial using a fuzzy ternary logic expression. These expressions will then be used to process HL7 messages from a communication server in order to identify eligible patients.

  19. Do aqueous ternary complexes influence the TALSPEAK process?

    SciTech Connect

    Leggett, C. j.; Liu, G.; Jensen, M. P.; Chemical Sciences and Engineering Division

    2010-01-01

    The aqueous speciation of trivalent lanthanide and actinide cations in solutions containing DTPA (diethylenetriamine-N,N,N',N',N'-pentaacetic acid) and lactic acid were studied under conditions representative of the TALSPEAK process. Spectrophotometric titrations, fluorescence spectroscopy, and thermometric titrations were used to search for indications of ternary metal-DTPA-lactate complexes. The addition of lactate anions to metal-DTPA complexes was undetectable by any of these techniques, even at free lactate concentrations of 0.75 M. Although lactic acid is necessary for the optimal performance of the TALSPEAK process, we find that the fractions of aqueous ternary Ln3+/An3+-DTPA-lactate complexes are far too low to account for the observed acid dependence of TALSPEAK metal extraction.

  20. A New Multifunctional Sensor for Measuring Concentrations of Ternary Solution

    NASA Astrophysics Data System (ADS)

    Wei, Guo; Shida, Katsunori

    This paper presents a multifunctional sensor with novel structure, which is capable of directly sensing temperature and two physical parameters of solutions, namely ultrasonic velocity and conductivity. By combined measurement of these three measurable parameters, the concentrations of various components in a ternary solution can be simultaneously determined. The structure and operation principle of the sensor are described, and a regression algorithm based on natural cubic spline interpolation and the least square method is adopted to estimate the concentrations. The performances of the proposed sensor are experimentally tested by the use of ternary aqueous solution of sodium chloride and sucrose, which is widely involved in food and beverage industries. This sensor could prove valuable as a process control sensor in industry fields.

  1. Ternary structure reveals mechanism of a membrane diacylglycerol kinase

    SciTech Connect

    Li, Dianfan; Stansfeld, Phillip J.; Sansom, Mark S. P.; Keogh, Aaron; Vogeley, Lutz; Howe, Nicole; Lyons, Joseph A.; Aragao, David; Fromme, Petra; Fromme, Raimund; Basu, Shibom; Grotjohann, Ingo; Kupitz, Christopher; Rendek, Kimberley; Weierstall, Uwe; Zatsepin, Nadia A.; Cherezov, Vadim; Liu, Wei; Bandaru, Sateesh; English, Niall J.; Gati, Cornelius; Barty, Anton; Yefanov, Oleksandr; Chapman, Henry N.; Diederichs, Kay; Messerschmidt, Marc; Boutet, Sébastien; Williams, Garth J.; Marvin Seibert, M.; Caffrey, Martin

    2015-12-17

    Diacylglycerol kinase catalyses the ATP-dependent conversion of diacylglycerol to phosphatidic acid in the plasma membrane of Escherichia coli. The small size of this integral membrane trimer, which has 121 residues per subunit, means that available protein must be used economically to craft three catalytic and substrate-binding sites centred about the membrane/cytosol interface. How nature has accomplished this extraordinary feat is revealed here in a crystal structure of the kinase captured as a ternary complex with bound lipid substrate and an ATP analogue. Residues, identified as essential for activity by mutagenesis, decorate the active site and are rationalized by the ternary structure. The γ-phosphate of the ATP analogue is positioned for direct transfer to the primary hydroxyl of the lipid whose acyl chain is in the membrane. A catalytic mechanism for this unique enzyme is proposed. As a result, the active site architecture shows clear evidence of having arisen by convergent evolution.

  2. Miscibility critical pressures in monolayers of ternary lipid mixtures.

    PubMed Central

    Keller, S L; Anderson, T G; McConnell, H M

    2000-01-01

    When phospholipids are mixed with cholesterol in a monolayer at an air-water interface, coexisting 2-dimensional liquid phases can be observed if the surface pressure, pi, is lower than the miscibility critical pressure, pi(c). Ternary mixtures of two phospholipid species with dihydrocholesterol have been reported to have critical pressures that are linearly proportional to the relative composition of the phospholipids. However, we report here that, if the acyl chains of the two phospholipids differ significantly in length or unsaturation, the behavior is markedly different. In this case, the critical pressure of the ternary mixture can be remarkably high, exceeding the critical pressures of the corresponding binary mixtures. High critical pressures are also seen in binary mixtures of phospholipid and dihydrocholesterol when the two acyl chains of the phospholipid differ sufficiently in length. Using regular solution theory, we interpret the elevated critical pressures of these mixtures as an attractive interaction between the phospholipid components. PMID:11023907

  3. Ternary structure reveals mechanism of a membrane diacylglycerol kinase

    PubMed Central

    Li, Dianfan; Stansfeld, Phillip J.; Sansom, Mark S. P.; Keogh, Aaron; Vogeley, Lutz; Howe, Nicole; Lyons, Joseph A.; Aragao, David; Fromme, Petra; Fromme, Raimund; Basu, Shibom; Grotjohann, Ingo; Kupitz, Christopher; Rendek, Kimberley; Weierstall, Uwe; Zatsepin, Nadia A.; Cherezov, Vadim; Liu, Wei; Bandaru, Sateesh; English, Niall J.; Gati, Cornelius; Barty, Anton; Yefanov, Oleksandr; Chapman, Henry N.; Diederichs, Kay; Messerschmidt, Marc; Boutet, Sébastien; Williams, Garth J.; Marvin Seibert, M.; Caffrey, Martin

    2015-01-01

    Diacylglycerol kinase catalyses the ATP-dependent conversion of diacylglycerol to phosphatidic acid in the plasma membrane of Escherichia coli. The small size of this integral membrane trimer, which has 121 residues per subunit, means that available protein must be used economically to craft three catalytic and substrate-binding sites centred about the membrane/cytosol interface. How nature has accomplished this extraordinary feat is revealed here in a crystal structure of the kinase captured as a ternary complex with bound lipid substrate and an ATP analogue. Residues, identified as essential for activity by mutagenesis, decorate the active site and are rationalized by the ternary structure. The γ-phosphate of the ATP analogue is positioned for direct transfer to the primary hydroxyl of the lipid whose acyl chain is in the membrane. A catalytic mechanism for this unique enzyme is proposed. The active site architecture shows clear evidence of having arisen by convergent evolution. PMID:26673816

  4. Nanowire-based ternary transistor by threshold-voltage manipulation

    SciTech Connect

    Han, Junebeom; Lim, Taekyung; Bong, Jihye; Seo, Keumyoung; Ju, Sanghyun; Kim, Sunkook

    2014-04-07

    We report on a ternary device consisting of two nanowire channels that have different threshold voltage (V{sub th}) values and show that three current stages can be produced. A microscale laser-beam shot was utilized to selectively anneal the nanowire channel area to be processed, and the amount of V{sub th} shift could be controlled by adjusting the laser wavelength. Microscale laser annealing process could control V{sub th} of the individual nanowire transistors while maintaining the other parameters the constant, such as the subthreshold slope, on–off current ratio, and mobility. This result could provide a potential for highly integrated and high-speed ternary circuits.

  5. Ternary structure reveals mechanism of a membrane diacylglycerol kinase.

    PubMed

    Li, Dianfan; Stansfeld, Phillip J; Sansom, Mark S P; Keogh, Aaron; Vogeley, Lutz; Howe, Nicole; Lyons, Joseph A; Aragao, David; Fromme, Petra; Fromme, Raimund; Basu, Shibom; Grotjohann, Ingo; Kupitz, Christopher; Rendek, Kimberley; Weierstall, Uwe; Zatsepin, Nadia A; Cherezov, Vadim; Liu, Wei; Bandaru, Sateesh; English, Niall J; Gati, Cornelius; Barty, Anton; Yefanov, Oleksandr; Chapman, Henry N; Diederichs, Kay; Messerschmidt, Marc; Boutet, Sébastien; Williams, Garth J; Marvin Seibert, M; Caffrey, Martin

    2015-12-17

    Diacylglycerol kinase catalyses the ATP-dependent conversion of diacylglycerol to phosphatidic acid in the plasma membrane of Escherichia coli. The small size of this integral membrane trimer, which has 121 residues per subunit, means that available protein must be used economically to craft three catalytic and substrate-binding sites centred about the membrane/cytosol interface. How nature has accomplished this extraordinary feat is revealed here in a crystal structure of the kinase captured as a ternary complex with bound lipid substrate and an ATP analogue. Residues, identified as essential for activity by mutagenesis, decorate the active site and are rationalized by the ternary structure. The γ-phosphate of the ATP analogue is positioned for direct transfer to the primary hydroxyl of the lipid whose acyl chain is in the membrane. A catalytic mechanism for this unique enzyme is proposed. The active site architecture shows clear evidence of having arisen by convergent evolution.

  6. Ternary structure reveals mechanism of a membrane diacylglycerol kinase

    NASA Astrophysics Data System (ADS)

    Li, Dianfan; Stansfeld, Phillip J.; Sansom, Mark S. P.; Keogh, Aaron; Vogeley, Lutz; Howe, Nicole; Lyons, Joseph A.; Aragao, David; Fromme, Petra; Fromme, Raimund; Basu, Shibom; Grotjohann, Ingo; Kupitz, Christopher; Rendek, Kimberley; Weierstall, Uwe; Zatsepin, Nadia A.; Cherezov, Vadim; Liu, Wei; Bandaru, Sateesh; English, Niall J.; Gati, Cornelius; Barty, Anton; Yefanov, Oleksandr; Chapman, Henry N.; Diederichs, Kay; Messerschmidt, Marc; Boutet, Sébastien; Williams, Garth J.; Marvin Seibert, M.; Caffrey, Martin

    2015-12-01

    Diacylglycerol kinase catalyses the ATP-dependent conversion of diacylglycerol to phosphatidic acid in the plasma membrane of Escherichia coli. The small size of this integral membrane trimer, which has 121 residues per subunit, means that available protein must be used economically to craft three catalytic and substrate-binding sites centred about the membrane/cytosol interface. How nature has accomplished this extraordinary feat is revealed here in a crystal structure of the kinase captured as a ternary complex with bound lipid substrate and an ATP analogue. Residues, identified as essential for activity by mutagenesis, decorate the active site and are rationalized by the ternary structure. The γ-phosphate of the ATP analogue is positioned for direct transfer to the primary hydroxyl of the lipid whose acyl chain is in the membrane. A catalytic mechanism for this unique enzyme is proposed. The active site architecture shows clear evidence of having arisen by convergent evolution.

  7. Ternary structure reveals mechanism of a membrane diacylglycerol kinase.

    PubMed

    Li, Dianfan; Stansfeld, Phillip J; Sansom, Mark S P; Keogh, Aaron; Vogeley, Lutz; Howe, Nicole; Lyons, Joseph A; Aragao, David; Fromme, Petra; Fromme, Raimund; Basu, Shibom; Grotjohann, Ingo; Kupitz, Christopher; Rendek, Kimberley; Weierstall, Uwe; Zatsepin, Nadia A; Cherezov, Vadim; Liu, Wei; Bandaru, Sateesh; English, Niall J; Gati, Cornelius; Barty, Anton; Yefanov, Oleksandr; Chapman, Henry N; Diederichs, Kay; Messerschmidt, Marc; Boutet, Sébastien; Williams, Garth J; Marvin Seibert, M; Caffrey, Martin

    2015-01-01

    Diacylglycerol kinase catalyses the ATP-dependent conversion of diacylglycerol to phosphatidic acid in the plasma membrane of Escherichia coli. The small size of this integral membrane trimer, which has 121 residues per subunit, means that available protein must be used economically to craft three catalytic and substrate-binding sites centred about the membrane/cytosol interface. How nature has accomplished this extraordinary feat is revealed here in a crystal structure of the kinase captured as a ternary complex with bound lipid substrate and an ATP analogue. Residues, identified as essential for activity by mutagenesis, decorate the active site and are rationalized by the ternary structure. The γ-phosphate of the ATP analogue is positioned for direct transfer to the primary hydroxyl of the lipid whose acyl chain is in the membrane. A catalytic mechanism for this unique enzyme is proposed. The active site architecture shows clear evidence of having arisen by convergent evolution. PMID:26673816

  8. Electrodeposition of amorphous ternary nickel-chromium-phosphorus alloy

    DOEpatents

    Guilinger, Terry R.

    1990-01-01

    Amorphous ternary nickel-chromium-phosphorus alloys are electrodeposited from a bath comprising a nickel salt, a chromium salt, a phosphorus source such as sodium hypophosphite, a complexing agent for the nickel ions, supporting salts to increase conductivity, and a buffering agent. The process is carried out at about room temperature and requires a current density between about 20 to 40 A/dm.sup.2.

  9. Ternary gas diffusion - in vitro studies.

    PubMed

    Modell, H I; Farhi, L E

    1976-07-01

    The purpose of these experiments was to compare diffusive gas movement in a two-gas system with that in a three-gas system. Gas mixtures of different compositions were placed initially on either side of a removable partition dividing a cylindrical lucite diffusion chamber, filled with 3 mm glass beads. This served to slow diffusion, minimize convective currents generated by removing the partition, and stabilize temperature within the chamber. In two-gas systems, after the partition was removed, oxygen equilibrated between the two parts of the chamber more rapidly in a helium environment than in a nitrogen environment, conforming with predictions based on binary gas laws. Results obtained with a three-gas system differed significantly from those obtained with the binary system. With 21% oxygen in belium initially in one half of the chamber and 21% oxygen in nitrogen in the other, PO2 rose transiently in the He-O2 side of the chamber. Qualitatively, similar results were obtained when the O2-N2 mixture was replaced by 100% nitrogen. Pressure in the system remained essentially constant. The possible mechanisms responsible for the PO2 rise were studied using a computer model of the system. This showed that movement of a given gas may be affected significantly by movement of other gases in the system. Hence, application of binary gas diffusion laws to systems containing more than two gases may lead to significant errors.

  10. Formation of a Ternary Complex for Selenocysteine Biosynthesis in Bacteria.

    PubMed

    Silva, Ivan R; Serrão, Vitor H B; Manzine, Livia R; Faim, Lívia M; da Silva, Marco T A; Makki, Raphaela; Saidemberg, Daniel M; Cornélio, Marinônio L; Palma, Mário S; Thiemann, Otavio H

    2015-12-01

    The synthesis of selenocysteine-containing proteins (selenoproteins) involves the interaction of selenocysteine synthase (SelA), tRNA (tRNA(Sec)), selenophosphate synthetase (SelD, SPS), a specific elongation factor (SelB), and a specific mRNA sequence known as selenocysteine insertion sequence (SECIS). Because selenium compounds are highly toxic in the cellular environment, the association of selenium with proteins throughout its metabolism is essential for cell survival. In this study, we demonstrate the interaction of SPS with the SelA-tRNA(Sec) complex, resulting in a 1.3-MDa ternary complex of 27.0 ± 0.5 nm in diameter and 4.02 ± 0.05 nm in height. To assemble the ternary complex, SPS undergoes a conformational change. We demonstrated that the glycine-rich N-terminal region of SPS is crucial for the SelA-tRNA(Sec)-SPS interaction and selenoprotein biosynthesis, as revealed by functional complementation experiments. Taken together, our results provide new insights into selenoprotein biosynthesis, demonstrating for the first time the formation of the functional ternary SelA-tRNA(Sec)-SPS complex. We propose that this complex is necessary for proper selenocysteine synthesis and may be involved in avoiding the cellular toxicity of selenium compounds. PMID:26378233

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

    SciTech Connect

    Takagi, Ken-ichi . E-mail: u4381@toyokohan.co.jp

    2006-09-15

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

  12. Formation of a Ternary Complex for Selenocysteine Biosynthesis in Bacteria.

    PubMed

    Silva, Ivan R; Serrão, Vitor H B; Manzine, Livia R; Faim, Lívia M; da Silva, Marco T A; Makki, Raphaela; Saidemberg, Daniel M; Cornélio, Marinônio L; Palma, Mário S; Thiemann, Otavio H

    2015-12-01

    The synthesis of selenocysteine-containing proteins (selenoproteins) involves the interaction of selenocysteine synthase (SelA), tRNA (tRNA(Sec)), selenophosphate synthetase (SelD, SPS), a specific elongation factor (SelB), and a specific mRNA sequence known as selenocysteine insertion sequence (SECIS). Because selenium compounds are highly toxic in the cellular environment, the association of selenium with proteins throughout its metabolism is essential for cell survival. In this study, we demonstrate the interaction of SPS with the SelA-tRNA(Sec) complex, resulting in a 1.3-MDa ternary complex of 27.0 ± 0.5 nm in diameter and 4.02 ± 0.05 nm in height. To assemble the ternary complex, SPS undergoes a conformational change. We demonstrated that the glycine-rich N-terminal region of SPS is crucial for the SelA-tRNA(Sec)-SPS interaction and selenoprotein biosynthesis, as revealed by functional complementation experiments. Taken together, our results provide new insights into selenoprotein biosynthesis, demonstrating for the first time the formation of the functional ternary SelA-tRNA(Sec)-SPS complex. We propose that this complex is necessary for proper selenocysteine synthesis and may be involved in avoiding the cellular toxicity of selenium compounds.

  13. Ternary WD40 Repeat-Containing Protein Complexes: Evolution, Composition and Roles in Plant Immunity

    PubMed Central

    Miller, Jimi C.; Chezem, William R.; Clay, Nicole K.

    2016-01-01

    Plants, like mammals, rely on their innate immune system to perceive and discriminate among the majority of their microbial pathogens. Unlike mammals, plants respond to this molecular dialog by unleashing a complex chemical arsenal of defense metabolites to resist or evade pathogen infection. In basal or non-host resistance, plants utilize signal transduction pathways to detect “non-self,” “damaged-self,” and “altered-self”- associated molecular patterns and translate these “danger” signals into largely inducible chemical defenses. The WD40 repeat (WDR)-containing proteins Gβ and TTG1 are constituents of two independent ternary protein complexes functioning at opposite ends of a plant immune signaling pathway. They are also encoded by single-copy genes that are ubiquitous in higher plants, implying the limited diversity and functional conservation of their respective complexes. In this review, we summarize what is currently known about the evolutionary history of these WDR-containing ternary complexes, their repertoire and combinatorial interactions, and their downstream effectors and pathways in plant defense. PMID:26779203

  14. Inhomogeneous speed effects on H2 vibrational line profiles in ternary mixtures

    NASA Astrophysics Data System (ADS)

    Joubert, P.; Bruet, X.; Bonamy, J.; Robert, D.; Chaussard, F.; Saint-Loup, R.; Berger, H.

    2000-12-01

    A study of speed inhomogeneous broadening of the hydrogen vibrational line profiles in the collisional regime for ternary mixtures is reported. The Q(1) line of H2 in H2-Ar-N2, H2-He-Ar, and H2-He-N2 mixtures is investigated by high resolution stimulated Raman spectroscopy for various concentrations and temperatures. A model, successfully used for binary mixtures, is extended to ternary mixtures. An excellent agreement is obtained between theory and experiment for H2-Ar-N2, by using the collisional parameters previously obtained from binary mixtures study. For H2-He-Ar and H2-He-N2, H2-He collisions play a "hardening" effect in the H2 soft speed memory mechanism for H2-Ar or H2-N2. The present experimental results allow us, via the frame of our model, to determine the "hardness" parameter values for H2-He (inaccessible from binary mixtures data) and to get an accurate description of the spectral line shape. This study should be useful for hydrogen coherent anti-Stokes Raman spectroscopy thermometry in H2/air flames at high pressure through its possible extension to the H2-N2-H2O system.

  15. Phonons in the ternary phase ZrS 3-xSe x

    NASA Astrophysics Data System (ADS)

    Zwick, A.; Landa, G.; Carles, R.; Renucci, M. A.; Kjekshus, A.

    1983-03-01

    The mode behaviour of long wavelength optical phonons in the ternary phase ZrS 3-xSe x has been investigated by means of Raman spectroscopy through the whole composition range 0 ⩽ x ⩽ 3. A mixed one-, two- and three-mode behaviour is observed, depending respectively on modes of group I (quasi- rigid chain modes), II (internal deformation chain modes) and III (diatomic X-X [ X = S, Se] stretching mode). Three-mode behaviour of diatomic X-X mode is explained in terms of vibrations of S-S, Se-Se and S-Se pairs, practically insensitive to metal atoms as shown by comparison with the HfS 3-xSe x system. The analysis of integrated intensities of peaks assigned to vibrations of S-S, Se-Se and S-Se pairs on the basis of a statistical model concludes in favour of higher Raman efficiency of selenium pairs compared to sulfur pairs. On the other hand, one-mode behaviour of quasi-rigid chain modes establishes unambiguously a one-to-one mode correspondence between the two binary compounds, confirming thus our previous assignments. Spectral features of the ternary phase suggest contributions from the density of vibrational states due to relaxation of Raman selection rules resulting from configurational disorder.

  16. Measurement of the Soret coefficients for a ternary hydrocarbon mixture in low gravity environment

    NASA Astrophysics Data System (ADS)

    Ahadi, Amirhossein; Van Varenbergh, S.; Saghir, M. Ziad

    2013-05-01

    While the Soret coefficients of binary mixtures have been widely measured in the past, here we report the first measurement of the Soret coefficient of a ternary mixture in a low gravity environment on board the International Space Station. The sample was contained in a 10 mm × 10 mm × 5 mm (w, l, h) cell and was monitored by means of a Mach-Zehnder interferometer at two wavelengths. The analyzed sample was a mixture of tetrahydronaphthalene, isobutylbenzene, and dodecane at the weight fraction of 0.1/0.8/0.1. While the lateral walls of the cell did not possess complete thermal isolation, the separation of the components in the central region of the cavity was comparable to purely diffusive behavior. The same experimental parameters have been monitored in Run7 and Run12 of the Selectable Optical Diagnostics Instrument-Diffusion and Soret Coefficient experiment in order to verify the accuracy of the setup. The similarity of the results demonstrates the repeatability of thermodiffusion experiments in a microgravity environment. There was nearly equal separation of the tetrahydronaphthalene and isobutylbenzene components in opposite directions, while dodecane experienced a weak separation in the same direction as isobutylbenzene. Finally, Fourier image processing and calculations of the transient separation of the components were used to analyze the heat transfer in the system and to measure the Soret coefficients for this ternary mixture. The successful measurements shown in this work can serve as the standard for ground experiments and for numerical modeling of hydrocarbon mixtures.

  17. Theoretical and numerical study of lamellar eutectic three-phase growth in ternary alloys.

    PubMed

    Choudhury, Abhik; Plapp, Mathis; Nestler, Britta

    2011-05-01

    We investigate lamellar three-phase patterns that form during the directional solidification of ternary eutectic alloys in thin samples. A distinctive feature of this system is that many different geometric arrangements of the three phases are possible, contrary to the widely studied two-phase patterns in binary eutectics. Here, we first analyze the case of stable lamellar coupled growth of a symmetric model ternary eutectic alloy, using a Jackson-Hunt-type calculation in thin film geometry, for arbitrary configurations, and derive expressions for the front undercooling as a function of velocity and spacing. Next, we carry out phase-field simulations to test our analytic predictions and to study the instabilities of the simplest periodic lamellar arrays. For large spacings, we observe different oscillatory modes that are similar to those found previously for binary eutectics and that can be classified using the symmetry elements of the steady-state pattern. For small spacings, we observe a new instability that leads to a change in the sequence of the phases. Its onset can be well predicted by our analytic calculations. Finally, some preliminary phase-field simulations of three-dimensional growth structures are also presented.

  18. Single-source precursors for ternary chalcopyrite materials, and methods of making and using the same

    NASA Technical Reports Server (NTRS)

    Banger, Kulbinder K. (Inventor); Hepp, Aloysius F. (Inventor); Harris, Jerry D. (Inventor); Jin, Michael Hyun-Chul (Inventor); Castro, Stephanie L. (Inventor)

    2006-01-01

    A single source precursor for depositing ternary I-III-VI.sub.2 chalcopyrite materials useful as semiconductors. The single source precursor has the I-III-VI.sub.2 stoichiometry built into a single precursor molecular structure which degrades on heating or pyrolysis to yield the desired I-III-VI.sub.2 ternary chalcopyrite. The single source precursors effectively degrade to yield the ternary chalcopyrite at low temperature, e.g. below 500.degree. C., and are useful to deposit thin film ternary chalcopyrite layers via a spray CVD technique. The ternary single source precursors according to the invention can be used to provide nanocrystallite structures useful as quantum dots. A method of making the ternary single source precursors is also provided.

  19. Optical second-harmonic imaging of Pb{sub x}Cd{sub 1-x}Te ternary alloys

    SciTech Connect

    Scheidt, T.; Rohwer, E.G.; Bergmann, H.M. von; Saucedo, E.; Dieguez, E.; Fornaro, L.; Stafast, H.

    2005-05-15

    We employ femtosecond laser pulses (80 fs, 1.59 eV, and 80 MHz) to study the optical second-harmonic (SH) response of Pb{sub x}Cd{sub 1-x}Te ternary alloys (x about 0.2) grown by the vertical Bridgman method. The alloy segregates into a Pb-rich and a Cd-rich phase, the latter dominating the SH response of the ternary alloy by at least two orders of magnitude. Several sample regions show a regular layer-by-layer accommodation of the Pb-rich and Cd-rich phases as seen by a periodic alternation of the alloy's SH response on a {approx}10-{mu}m length scale. Furthermore, we employ polarization-resolved SH imaging as well as SH imaging at different azimuthal angles to obtain spatially resolved mappings of the sample, which are sensitive to the composition as well as the growth orientation of the Pb{sub x}Cd{sub 1-x}Te material system. We observe an azimuthal phase shift of approximately 30 deg. between coherent macroscopic regions (several mm{sup 2}) in the Cd-rich phase of the ternary alloy. We interpret these regions as large area crystalline grains of (111) and (411) crystal orientations and approximately equal composition. Hence, SH imaging is shown to spatially resolve regions of different growth directions within the Pb{sub x}Cd{sub 1-x}Te sample.

  20. DISSOLUTION AND COMPATIBILITY STUDY OF BINARY AND TERNARY INTERACTIVE MIXTURES OF INDOMETHACIN: COMPARISON WITH COMMERCIALLY AVAILABLE CAPSULES.

    PubMed

    Maswadeh, Hamzah M

    2016-01-01

    The main objective of this work was to use Weibull distribution function and Baker-Lonsdale models to study the dissolution kinetics of prepared binary and ternary interactive mixtures containing indomethacin in comparison with three commercially available capsules of indomethacin, namely, Rothacin®, Indomin® and Indylon®. Differential scanning calorimetry (DSC) in conjunction with cloud point method was used to study the compatibility of indomethacin with polyvinylpyrrolidone (PVP) and lactose and to provide an explanation(s) for the insignificant increase in dissolution rate observed in the ternary interactive mixture as well as for the reduction in the dissolution rate observed from the binary system in our previous study. Results showed that the Weibull distribution function equation was the best fit to the dissolution data for all formulations used in this study. DSC curves showed that the decrease in dissolution rate from the binary and ternary interactive mixtures was due to incompatibility of indomethacin with PVP. Also DSC curves showed that lactose was compatible with indomethacin and that lactose was used as excipient in two commercial products (Rothacin® and Indylon®). Results from the cloud point method showed that the addition of indomethacin to 1% PVP solution containing ammonium sulfate (with cloud point at 76°C) reduces the cloud point of PVP indicating that there is an interaction between indomethacin and PVP, while the cloud point of 1% PVP containing ammonium sulfate was not affected by the addition of lactose. PMID:27476292

  1. Ternary liquid scintillator for optical fiber applications

    DOEpatents

    Franks, Larry A.; Lutz, Stephen S.

    1982-01-01

    A multicomponent liquid scintillator solution for use as a radiation-to-light converter in conjunction with a fiber optic transmission system. The scintillator includes a quantity of 5-amino-9-diethylaminobenz (a) phenoxazonium nitrate (Nile Blue Nitrate) as a solute in a fluor solvent such as benzyl alcohol. The use of PPD as an additional solute is also disclosed. The system is controllable by addition of a suitable quenching agent, such as phenol.

  2. A Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ternary ferroelectric system with high T{sub C} and high piezoelectric properties

    SciTech Connect

    Li, Tao; Li, Xiuzhi; Wang, Zujian; Liu, Ying; He, Chao; Shen, Dongquan; Long, Xifa; Tailor, Hamel

    2013-01-15

    Graphical abstract: Display Omitted Highlights: ► (0.79 − x)Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}–0.21Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–xPbTiO{sub 3} ceramics were prepared by two-step method. ► A morphotropic phase boundary region has been determined in the composition range of 0.28 < x < 0.32. ► The compositions within MPB region exhibit excellent piezoelectric properties. -- Abstract: (0.79 − x)Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}–0.21Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–xPbTiO{sub 3} (x = 0.23–0.35) ternary ferroelectric system in the form of ceramics have been synthesized. Its structure and properties have been studied by X-ray powder diffraction and electric measurements. A morphotropic phase boundary region has been determined in the composition range of 0.28 < x < 0.32, where the Curie temperature T{sub C} and the rhombohedral–tetragonal phase transition temperature T{sub RT} were found to vary from 243 °C to 295 °C and 145 °C to 191 °C, respectively, much higher than PMNT and PZNT systems. The compositions within MPB region exhibit excellent piezoelectric properties such as piezoelectric coefficient d{sub 33} > 646 pC/N, T{sub RT} > 145 °C, T{sub C} > 273 °C and E{sub C} > 13 kV/cm for 0.5PIN–0.21PZN–0.29PT and 0.49PIN–0.21PZN–0.30PT, making the ceramics of this system a promising material for high power and high temperature application.

  3. Rheological properties of reversible thermo-setting in situ gelling solutions with the methylcellulose-polyethylene glycol-citric acid ternary system (2): Effects of various water-soluble polymers and salts on the gelling temperature.

    PubMed

    Shimokawa, Ken-ichi; Saegusa, Katsuhiko; Ishii, Fumiyoshi

    2009-11-01

    The influences of various salts and water-soluble polymers on the phase transition temperature of thermo-setting gels prepared by combining methylcellulose (MC)-sodium citrate (SC)-polyethylene glycol (PEG) at appropriate ratios (the MC-SC-PEG system) were investigated. Concerning cations, comparison of the phase transition temperature between SC and tripotassium citrate (PC) showed a rapid increase in the viscosity of SC between 20 degrees C and 25 degrees C and an increase in the viscosity of PC between 30 degrees C and 35 degrees C. Concerning the valency of anions, comparisons among SC, disodium tartrate dihydrate (ST), disodium maleate hemihydrates (SM), and sodium sulfate (SS) showed a rapid increase in the viscosity of trivalent SC between 20 degrees C and 25 degrees C and changes in the viscosity of the three bivalent sodium salts (ST, SM, and SS) at > or =30 degrees C. Thus the phase transition temperature decreased with an increase in the valency of anions. Subsequently, the influences of various water-soluble polymers on the gelling temperature were compared. Using polyvinylpyrrolidone (PVP) instead of PEG, the gelling temperature decreased with an increase in the PVP concentration even without the addition of SC. Unlike PVP, the addition of xanthan gum as a viscosity-increasing polysaccharide did not reduce the gelling temperature irrespective of its concentration. Temperature-associated changes in viscosity were observed at a fixed SC concentration with changes in the concentration of PVP or PEG. The gel phase transition temperature increased from 46 degrees C to 50 degrees C in gels not containing PVP or PEG. The viscosity did not differ between the addition of PVP or PEG at a low concentration and its absence. However, the viscosity clearly changed after the addition of each agent at a high concentration.

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

    PubMed

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

    2015-11-01

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

  5. Materials for the active layer of organic photovoltaics: ternary solar cell approach.

    PubMed

    Chen, Yung-Chung; Hsu, Chih-Yu; Lin, Ryan Yeh-Yung; Ho, Kuo-Chuan; Lin, Jiann T

    2013-01-01

    Power conversion efficiencies in excess of 7% have been achieved with bulk heterojunction (BHJ)-type organic solar cells using two components: p- and n-doped materials. The energy level and absorption profile of the active layer can be tuned by introduction of an additional component. Careful design of the additional component is required to achieve optimal panchromatic absorption, suitable energy-level offset, balanced electron and hole mobility, and good light-harvesting efficiency. This article reviews the recent progress on ternary organic photovoltaic systems, including polymer/small molecule/functional fullerene, polymer/polymer/functional fullerene, small molecule/small molecule/functional fullerene, polymer/functional fullerene I/functional fullerene II, and polymer/quantum dot or metal/functional fullerene systems.

  6. A B3LYP and MP2(full) theoretical investigation into cooperativity effects, aromaticity and thermodynamic properties in the Na(+)⋯benzonitrile⋯H2O ternary complex.

    PubMed

    Zhao, Guang-ming; Liu, Yu-cun; Shi, Wen-jing; Chai, Tao; Ren, Fu-de

    2014-07-01

    The cooperativity effects between H-bonding and Na(+)⋯π or Na(+)⋯σ interactions in Na(+)⋯benzonitrile⋯H2O complexes were investigated using the B3LYP and MP2(full) methods with 6-311++G(2d,p) and aug-cc-pVTZ basis sets. The thermodynamic cooperativity and the influence of this cooperativity on aromaticity was evaluated by nucleus-independent chemical shifts (NICS). The results showed that the influence of the Na(+)⋯σ or Na(+)⋯π interaction on the hydrogen bond is more pronounced than that of the latter on the former. The cooperativity effect appeared in the Na(+)⋯σ interaction complex while the anti-cooperativity effect tended to be in the Na(+)⋯π system. The change in enthalpy is the major factor driving cooperativity. Thermodynamic cooperativity is not in accordance with the cooperativity effect evaluated by the change of interaction energy. The ring aromaticity of is weakened while the bond dissociation energy (BDE) of the C-CN bond increases upon ternary complex formation. The cooperativity effect (E coop) correlates with R c (NICS(1)ternary/NICS(1)binary) and ΔΔδ (Δδ ternary - Δδ binary) involving the ring and C ≡ N bond, as well as R BDE(C-CN) [BDE(C-CN)ternary/BDE(C-CN)binary], respectively. AIM (atoms in molecules) analysis confirms the existence of cooperativity. PMID:25005001

  7. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

    DOE PAGES

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared ‘multifunctional’ ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt₇Ru₃ NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication ofmore » crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. Thus, these NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.« less

  8. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

    SciTech Connect

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared ‘multifunctional’ ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt₇Ru₃ NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication of crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. Thus, these NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.

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

    NASA Technical Reports Server (NTRS)

    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.

  10. Modeling of Ternary Element Site Substitution in NiAl

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Noebe, Ronald D.; Honecy, Frank

    2000-01-01

    It is well recognized that ternary alloying additions can have a dramatic impact on the behavior of ordered intermetallic alloys such as nickel aluminides. Properties as diverse as yield strength, fracture strength, fracture mode, cyclic oxidation resistance, creep strength, and thermal and electrical diffusivity can change by orders of magnitude when a few percent or less of a ternary element is added. Yet our understanding of the resulting point defect structures and the simple site preferences of ternary alloying additions is poor because these are extremely difficult characteristics to determine. This disconnection between the understanding of the structure and properties in ordered alloys is at least in part responsible for the limited development and commercialization of these materials. Theoretical methods have provided useful but limited insight in this area, since most techniques suffer from constraints in the type of elements and the crystallographic structures that can be modeled. In an effort to overcome these limitations, the Bozzolo-Ferrante-Smith (BFS) method for alloys was designed. After a brief description of this approximate quantum mechanical approach, we use BFS to investigate the energetics of Si, Ti, V, Cr, Fe, Co, Cu, Zr, Nb, Mo, Ru, Hf, Ta and W additions to B2-ordered, stoichiometric NiAl. In addition to determining the site preference for these alloying additions over a range of compositions, we include results for the concentration dependence of the lattice parameter. In this introductory paper, we performed our analyses in the absence of constitutional and thermal vacancies for alloys of the form Ni50(Al,X)50. Where data exist, a comparison between experimental, theoretical, and BFS results is also included.

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

    NASA Astrophysics Data System (ADS)

    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.

  12. Structure of ternary additive hard-sphere fluid mixtures

    NASA Astrophysics Data System (ADS)

    Malijevský, Alexander; Malijevský, Anatol; Yuste, Santos B.; Santos, Andrés; López de Haro, Mariano

    2002-12-01

    Monte Carlo simulations on the structural properties of ternary fluid mixtures of additive hard spheres are reported. The results are compared with those obtained from a recent analytical approximation [S. B. Yuste, A. Santos, and M. López de Haro, J. Chem. Phys. 108, 3683 (1998)] to the radial distribution functions of hard-sphere mixtures and with the results derived from the solution of the Ornstein-Zernike integral equation with both the Martynov-Sarkisov and the Percus-Yevick closures. Very good agreement between the results of the first two approaches and simulation is observed, with a noticeable improvement over the Percus-Yevick predictions especially near contact.

  13. 3D Synchrotron Imaging of a Directionally Solidified Ternary Eutectic

    NASA Astrophysics Data System (ADS)

    Dennstedt, Anne; Helfen, Lukas; Steinmetz, Philipp; Nestler, Britta; Ratke, Lorenz

    2016-03-01

    For the first time, the microstructure of directionally solidified ternary eutectics is visualized in three dimensions, using a high-resolution technique of X-ray tomography at the ESRF. The microstructure characterization is conducted with a photon energy, allowing to clearly discriminate the three phases Ag2Al, Al2Cu, and α-Aluminum solid solution. The reconstructed images illustrate the three-dimensional arrangement of the phases. The Ag2Al lamellae perform splitting and merging as well as nucleation and disappearing events during directional solidification.

  14. Synthesis of thin, long heavy nuclei in ternary collisions

    NASA Astrophysics Data System (ADS)

    Iwata, Yoritaka; Iida, Kei; Itagaki, Naoyuki

    2013-01-01

    We illustrate the formation of a thin, long structure of heavy nuclei by three-nucleus simultaneous collisions within time-dependent density functional theory. The impact parameter dependence for such a formation is systematically demonstrated through clarifications of the difference between binary and ternary collision events. A new method for producing thin, long heavy nuclei in the laboratory is suggested, as well as the possible formation of the thin, long structure in hot dense matter such as that encountered in core collapse supernovae.

  15. Characterization of a Ternary System Based on Hybrid Nanoparticles.

    PubMed

    de Barros, Suellen Dayenn Tozetti; Senra, Jaqueline Dias; Tinoco, Luzineide W; Simão, Renata Antoun; Lachter, Elizabeth Roditi; Malta, Luiz Fernando Brum

    2016-03-01

    Hybrid nanoparticles (NPs) are emerging as an important family of multifunctional nanoscale materials. Due to its unique properties cyclodextrins (CDs) present the possibility to be employed in nanostructured devices for multiple applications. Therefore the study of hybrids NPs containing CDs, metal nanoparticles and an organic molecular guest is promising for applications in separation science, sensing, optics, catalysis and medical therapy. To investigate the hybrid nanoparticles properties in light of technological and medical science interfaces we chose tramadol hydrochloride as the model molecular guest. Using 2D 1H NMR and FTIR spectroscopies and ESI-MS we studied the topology and host-guest stoichiometry of inclusion compound between 2-hydroxypropyl-α-cyclodextrin and tramadol. These techniques confirmed that the inclusion compounds present 1:1 stoichiometry with the tramadol aromatic moiety inserted in the CD cavity and the amine part interacting with the CD superficial OHs. Performing capillary electrophoresis experiments, the stability constants of inclusion compounds were obtained and showed that the increase of temperature during the synthesis of these NPs can decrease their stabilities. Precipitated palladium nanoparticles were determined to have 80-200 nm of size distribution and the incorporation of tramadol was evidenced by additional 1H NMR experiments. PMID:27455715

  16. Electroepitaxy of multicomponent systems - Ternary and quarternary compounds

    NASA Technical Reports Server (NTRS)

    Bryskiewicz, T.; Lagowski, J.; Gatos, H. C.

    1980-01-01

    A theoretical model is presented which accounts for the electroepitaxial growth kinetics and composition of multicomponent compounds in terms of mass transport in the liquid and phase diagram relationships. The mass transport in the interface is dominated by electromigration in the absence of convection and by diffusion in the presence of convection. The composition of the solid is controlled by the Peltier effect at the growth interface and by the diffusion and mobility constants of the solute components and the growth velocity (current density). Thus, for a given solution composition, the composition of the solid can be varied by varying the current density. For a given current density the composition remains constant even in the case of relatively thick epitaxial layers. All aspects of the model were found to be in good agreement with the growth and composition characteristics of Ga/x-1/Al/x/As layers.

  17. Growth Mechanism of Nanowires: Ternary Chalcogenides

    NASA Technical Reports Server (NTRS)

    Singh, N. B.; Coriell, S. R.; Hopkins, R. H.; Su, Ching Hua; Arnold, B.; Choa, Fow-Sen; Cullum, Brian

    2016-01-01

    In the past two decades there has been a large rise in the investment and expectations for nanotechnology use. Almost every area of research has projected improvements in sensors, or even a promise for the emergence of some novel device technologies. For these applications major focuses of research are in the areas of nanoparticles and graphene. Although there are some near term applications with nanowires in photodetectors and other low light detectors, there are few papers on the growth mechanism and fabrication of nanowire-based devices. Semiconductor nanowires exhibit very favorable and promising optical properties, including high transparency and a several order of magnitude better photocurrent than thin film and bulk materials. We present here an overview of the mechanism of nanowire growth from the melt, and some preliminary results for the thallium arsenic selenide material system. Thallium arsenic selenide (TAS) is a multifunctional material combining excellent acousto-optical, nonlinear and radiation detection properties. We observed that small units of (TAS) nanocubes arrange and rearrange at moderate melt undercooling to form the building block of a nanowire. In some cases very long wires (less than mm) are formed. Since we avoided the catalyst, we observed self-nucleation and uncontrolled growth of wires from different places.

  18. Ternary Complexation on Bacterial Surfaces: Implications for Subsurface Anion Transport

    NASA Astrophysics Data System (ADS)

    Maclean, L. C.; Higginbottom, C. M.; Fowle, D. A.

    2002-12-01

    (VI) and I- in the presence of background electrolyte and aqueous Al (III), Cd(II), Ca(II) or cells coated with Al (oxy)hydroxide phases. We use a unique blend of XRD, electrophoretic mobility, SEM, and aqueous geochemistry measurements to quantify the mechanisms of Cr(VI) and I- removal from solution. Our results indicate the removal of both anions is highly dependent on solution pH with significant removal at low pH and diminishing removal at higher pH values, without the presence of cations or precipitates. However, in the presence of aqueous Cd(II) and Ca(II) which adsorbs strongly from pH 3.5-8, the removal of Cr(VI) and I- increases appreciably. Furthermore the loading of the cell surface with small amorphous mineral phases increases adsorption. Aging of the mineral-bacteria composites appears to decrease removal efficiency due to coarsening of the mineral phases and a decrease in charge density. Considering that many geologic environments include both cationic and anionic metal contaminants, our results suggest that mass transport of Cr(VI), I-, and other anions may be affected by ternary complexation or other cation mediated surface reactions in bacteria-bearing systems.

  19. Quantitative Analysis of Ternary Vapor Mixtures Using a Microcantilever-Based Electronic Nose

    SciTech Connect

    Pinnaduwage, Lal A; Zhao, Weichang; Gehl, Anthony C; Allman, Steve L

    2007-01-01

    The authors report the identification and quantification of the components of a ternary vapor mixture using a microcantilever-based electronic nose. An artificial neural network was used for pattern recognition. Dimethyl methyl phosphonate vapor in ppb concentrations and water and ethanol vapors in ppm concentrations were quantitatively identified either individually or in binary and ternary mixtures at varying concentrations.

  20. Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys and superlattices

    NASA Technical Reports Server (NTRS)

    Lambrecht, Walter R. L.

    1992-01-01

    This proposal was mainly concerned with the theoretical study of semiconductor compounds, alloys, and superlattices of interest for photovoltaic applications. In the last year (1991) a study was devoted to metal/graphite bonding in relation to use of graphite fiber reinforcement of Cu for high thermal conductivity applications. The main research topics addressed during the full period of the grant are briefly described: studies of the In-Ga-As ternary system; band-offsets at common anion and InAs/GaSb/AlSb heterojunctions; alloy theory (cluster variation method); and Cu/graphite bonding. Most of the work was described more extensively in previous yearly reports and renewal applications and in publications. The last topic is described more fully in a separate report attached. A list of publications resulting directly from this grant or from other grants but related to this work and of conference presentations is given at the end.

  1. Low-Temperature CO Oxidation over a Ternary Oxide Catalyst with High Resistance to Hydrocarbon Inhibition.

    PubMed

    Binder, Andrew J; Toops, Todd J; Unocic, Raymond R; Parks, James E; Dai, Sheng

    2015-11-01

    Platinum group metal (PGM) catalysts are the current standard for control of pollutants in automotive exhaust streams. Aside from their high cost, PGM catalysts struggle with CO oxidation at low temperatures (<200 °C) due to inhibition by hydrocarbons in exhaust streams. Here we present a ternary mixed oxide catalyst composed of copper oxide, cobalt oxide, and ceria (dubbed CCC) that outperforms synthesized and commercial PGM catalysts for CO oxidation in simulated exhaust streams while showing no signs of inhibition by propene. Diffuse reflectance IR (DRIFTS) and light-off data both indicate low interaction between propene and the CO oxidation active site on this catalyst, and a separation of adsorption sites is proposed as the cause of this inhibition resistance. This catalyst shows great potential as a low-cost component for low temperature exhaust streams that are expected to be a characteristic of future automotive systems.

  2. Ternary PVA nanocomposites containing cellulose nanocrystals from different sources and silver particles: part II.

    PubMed

    Fortunati, E; Luzi, F; Puglia, D; Terenzi, A; Vercellino, M; Visai, L; Santulli, C; Torre, L; Kenny, J M

    2013-09-12

    Cellulose nanocrystals (CNC) extracted from three different sources, namely flax, phormium, and commercial microcrystalline cellulose (MCC) have been used in a polyvinyl alcohol (PVA) matrix to produce anti-bacterial films using two different amounts of silver nanoparticles (0.1 wt% and 0.5 wt%). In general, CNC confer an effect of reinforcement to PVA film, the best values of stiffness being offered by composites produced using phormium fibres, whilst for strength those produced using flax are slightly superior. This was obtained without inducing any particular modification in transition temperatures and in the thermal degradation patterns. As regards antibacterial properties, systems with CNC from flax proved slightly better than those with CNC from phormium and substantially better than those including commercial MCC. Dynamic mechanical thermal analysis (DMTA) has only been performed on the ternary composite containing 0.1 wt% Ag, which yielded higher values of Young's modulus, and as a whole confirmed the above results.

  3. Angular distribution of products of ternary nuclear fission induced by cold polarized neutrons

    SciTech Connect

    Bunakov, V. E. Kadmensky, S. G. Kadmensky, S. S.

    2008-11-15

    Within quantum fission theory, angular distributions of products originating from the ternary fission of nuclei that is induced by polarized cold and thermal neutrons are investigated on the basis of a non-evaporative mechanism of third-particle emission and a consistent description of fission-channel coupling. It is shown that the inclusion of Coriolis interaction both in the region of the discrete and in the region of the continuous spectrum of states of the system undergoing fission leads to T-odd correlations in the aforementioned angular distributions. The properties of the TRI and ROT effects discovered recently, which are due to the interference between the fission amplitudes of neutron resonances, are explored. The results obtained here are compared with their counterparts from classic calculations based on the trajectory method.

  4. A facile one-pot method to Au–SnO{sub 2}-graphene ternary hybrid

    SciTech Connect

    Xu, Diou; Li, Xiaotian; Zhang, Dawei

    2014-11-15

    In this article, we propose a facile one-pot route for synthesizing Au–SnO{sub 2}-graphene ternary hybrid. In the system, SnCl{sub 2} not only as the precursor of SnO{sub 2}, but also is employed as reducing agent for the effective reduction of both GO and HAuCl{sub 4} to graphene and Au nanoparticles, respectively. The obtained Au–SnO{sub 2}-graphene hybrid materials are characterized by atomic force microscopy, transmission electron microscopy, X-ray diffraction, Raman spectrum, X-ray photo-electron spectroscopy, and thermal gravimetric analysis. It is found that the content of Au nanoparticles decorated on the surface of graphene can be simply adjusted by changing the amount of HAuCl{sub 4} used in the synthesis process.

  5. Electron-phonon interaction in quasi-1D ternary mixed crystals of polar semiconductors

    NASA Astrophysics Data System (ADS)

    Fan, Yunpeng; Hou, Junhua

    2015-07-01

    The electron-optical-phonon interaction between an electron and two branches of LO-phonon modes in a quasi-one-dimensional ternary mixed crystal (TMC) of polar semiconductors is studied. The new electron-phonon interaction Hamiltonian including the unit-cell volume variation in TMCs is obtained by using the modified random element isodisplacement model and Born-Huang method. The energies of polaron are numerically calculated for several systems of III-V compounds. A group of III-nitride mixed crystals is also taken into numerical calculation in our theory. It is verified theoretically that the obvious nonlinearity of the polaronic energy and effective mass with the composition is essential and the unit-cell volume effects cannot be neglected except the very weak e-p coupling.

  6. Low-temperature CO oxidation over a ternary oxide catalyst with high resistance to hydrocarbon inhibition

    DOE PAGES

    Binder, Andrew J.; Toops, Todd J.; Unocic, Raymond R.; Parks, II, James E.; Dai, Sheng

    2015-09-11

    Platinum group metal (PGM) catalysts are the current standard for control of pollutants in automotive exhaust streams. Aside from their high cost, PGM catalysts struggle with CO oxidation at low temperatures (<200 °C) due to inhibition by hydrocarbons in exhaust streams. Here we present a ternary mixed oxide catalyst composed of copper oxide, cobalt oxide, and ceria (dubbed CCC) that outperforms synthesized and commercial PGM catalysts for CO oxidation in simulated exhaust streams while showing no signs of inhibition by propene. Diffuse reflectance IR (DRIFTS) and light-off data both indicate low interaction between propene and the CO oxidation active sitemore » on this catalyst, and a separation of adsorption sites is proposed as the cause of this inhibition resistance. In conclusion, this catalyst shows great potential as a low-cost component for low temperature exhaust streams that are expected to be a characteristic of future automotive systems.« less

  7. Low-temperature CO oxidation over a ternary oxide catalyst with high resistance to hydrocarbon inhibition

    SciTech Connect

    Binder, Andrew J.; Toops, Todd J.; Unocic, Raymond R.; Parks, II, James E.; Dai, Sheng

    2015-09-11

    Platinum group metal (PGM) catalysts are the current standard for control of pollutants in automotive exhaust streams. Aside from their high cost, PGM catalysts struggle with CO oxidation at low temperatures (<200 °C) due to inhibition by hydrocarbons in exhaust streams. Here we present a ternary mixed oxide catalyst composed of copper oxide, cobalt oxide, and ceria (dubbed CCC) that outperforms synthesized and commercial PGM catalysts for CO oxidation in simulated exhaust streams while showing no signs of inhibition by propene. Diffuse reflectance IR (DRIFTS) and light-off data both indicate low interaction between propene and the CO oxidation active site on this catalyst, and a separation of adsorption sites is proposed as the cause of this inhibition resistance. In conclusion, this catalyst shows great potential as a low-cost component for low temperature exhaust streams that are expected to be a characteristic of future automotive systems.

  8. Binary and Ternary Mixtures of Biopolymers and Water: Viscosity, Refractive Index, and Density

    NASA Astrophysics Data System (ADS)

    Silva, Bárbara Louise L. D.; Costa, Bernardo S.; Garcia-Rojas, Edwin E.

    2016-08-01

    Biopolymers have been the focus of intense research because of their wide applicability. The thermophysical properties of solutions containing biopolymers have fundamental importance for engineering calculations, as well as for thermal load calculations, energy expenditure, and development of new products. In this work, the thermophysical properties of binary and ternary solutions of carboxymethylcellulose and/or high methoxylation pectin and water at different temperatures have been investigated taking into consideration different biopolymer concentrations. The experimental data related to the thermophysical properties were correlated to obtain empirical models that can describe the temperature-concentration combined effect on the density, refractive index, and dynamic viscosity. From data obtained from the experiments, the density, refractive index, and dynamic viscosity increase with increasing biopolymer concentration and decrease with increasing temperature. The polynomial models showed a good fit to the experimental data and high correlation coefficients (R2ge 0.98) for each studied system.

  9. Hydrogen peroxide concentration by pervaporation of a ternary liquid solution in microfluidics.

    PubMed

    Ziemecka, Iwona; Haut, Benoît; Scheid, Benoit

    2015-01-21

    Pervaporation in a microfluidic device is performed on liquid ternary solutions of hydrogen peroxide-water-methanol in order to concentrate hydrogen peroxide (H2O2) by removing methanol. The quantitative analysis of the pervaporation of solutions with different initial compositions is performed, varying the operating temperature of the microfluidic device. Experimental results together with a mathematical model of the separation process are used to understand the effect of the operating conditions on the microfluidic device efficiency. The parameters influencing significantly the performance of pervaporation in the microfluidic device are determined and the limitations of the process are discussed. For the analysed system, the operating temperature of the chip has to be below the temperature at which H2O2 decomposes. Therefore, the choice of an adequate reduced operating pressure is required, depending on the expected separation efficiency.

  10. Semiconductor laser precision gain switching experiment for Gbaud ternary optical signaling

    SciTech Connect

    O'Dowd, R.F.; Byrne, D.M.

    1989-06-01

    An experiment was carried out to gain switch a 1.3 /mu/m semiconductor laser at gigabit/second rates and with sufficient electrical drive precision to validate a previous theoretical study. The method takes advantage of the relaxation oscillation phenomenon to produce shortened, single, optical pulses by careful control of the electrical bias, drive excursion, and pulse duration. It was demonstrated that two-level and three-level (i.e., ternary) optical data stream generation could be reliably achieved with only two electrical drive levels. The latter was performed by control of the drive pulse duration and is the first demonstration of a three-level PCM system based on two-level gain switching. Furthermore, the pulse shortening which results recommends this technique for optical TDM of multiple laser transmitters. This combination of formats may ultimately allow the 100 Gbit/s target to be achieved.

  11. Preparation of pure chitosan film using ternary solvents and its super absorbency.

    PubMed

    Wang, Xuejun; Lou, Tao; Zhao, Wenhua; Song, Guojun

    2016-11-20

    Chemical modification and graft copolymerization were commonly adopted to prepare super absorbent materials. However, physical microstructure of pure chitosan film was optimized to improve the water uptake capacity in this study. Chitosan films with micro-nanostructure were prepared by a ternary solvent system. The optimal process parameters are 1% acetic acid water solution: dioxane: dimethyl sulfoxide=90: 2.5: 7.5 (v/v/v) with chitosan concentration at 1.25% (w/v). The water uptake capacity of the chitosan film prepared under the optimal process parameters was 896g/g. The prepared chitosan films also exhibited high water uptake capacity in response to external stimuli such as temperature, pH and salt. This finding may provide another way for improving the water absorbency. The pure chitosan film may find potential applications especially in the fields of hygienic products and biomedicine due to its super water absorbency and nontoxicity. PMID:27561494

  12. Ternary PVA nanocomposites containing cellulose nanocrystals from different sources and silver particles: part II.

    PubMed

    Fortunati, E; Luzi, F; Puglia, D; Terenzi, A; Vercellino, M; Visai, L; Santulli, C; Torre, L; Kenny, J M

    2013-09-12

    Cellulose nanocrystals (CNC) extracted from three different sources, namely flax, phormium, and commercial microcrystalline cellulose (MCC) have been used in a polyvinyl alcohol (PVA) matrix to produce anti-bacterial films using two different amounts of silver nanoparticles (0.1 wt% and 0.5 wt%). In general, CNC confer an effect of reinforcement to PVA film, the best values of stiffness being offered by composites produced using phormium fibres, whilst for strength those produced using flax are slightly superior. This was obtained without inducing any particular modification in transition temperatures and in the thermal degradation patterns. As regards antibacterial properties, systems with CNC from flax proved slightly better than those with CNC from phormium and substantially better than those including commercial MCC. Dynamic mechanical thermal analysis (DMTA) has only been performed on the ternary composite containing 0.1 wt% Ag, which yielded higher values of Young's modulus, and as a whole confirmed the above results. PMID:23911522

  13. A B3LYP and MP2(full) theoretical investigation on the cooperativity effect between hydrogen-bonding and cation-molecule interactions and thermodynamic property in the 1: 2 (Na⁺: N-(Hydroxymethyl)acetamide) ternary complex.

    PubMed

    Feng, Guo-rui; Qi, Ting-ye; Shi, Wen-jing; Guo, Yu-xia; Zhang, Yu-jiang; Guo, Jun; Kang, Li-xun

    2014-03-01

    The cooperativity effects between the O/N-H∙∙∙O hydrogen-bonding and Na⁺∙∙∙O cation-molecule interactions in the 1: 2 (Na⁺: N-(Hydroxymethyl)acetamide) systems were investigated at the B3LYP/6-311++G**, MP2(full)/6-311++G** and MP2(full)/aug-cc-pvtz levels. The thermodynamic cooperativity calculations were also carried out for two pathways of the ternary-complex formation. The result shows that, in most ternary complexes, the O/N-H∙∙∙O and Na⁺∙∙∙O interactions are weakened in comparison with those in binary systems, leading to the anti-cooperativity effects, in particular in the complexes in which only the Na⁺∙∙∙O interactions exist. Shifts of electron density confirm the existence of anti-cooperativity. The increase of favorable enthalpic contribution leads to the positive cooperativity effect with negative ΔG(coop.) on forming the ternary complex by initial N-(Hydroxymethyl)acetamide dimer followed by addition of Na⁺. In forming the ternary complex by Na⁺∙∙∙N-(Hydroxymethyl)acetamide with the second N-(Hydroxymethyl)acetamide unit, the large unfavorable entropy change leads to the negative cooperativity effect with positive ΔG(coop.). The ternary complex is more easily formed by the pathway in which Na⁺ binds to N-(Hydroxymethyl)acetamide dimer. PMID:24562861

  14. Thermal hydraulic design analysis of ternary carbide fueled square-lattice honeycomb nuclear rocket engine

    SciTech Connect

    Furman, Eric M.; Anghaie, Samim

    1999-01-22

    A computational analysis is conducted to determine the optimum thermal-hydraulic design parameters for a square-lattice honeycomb nuclear rocket engine core that will incorporate ternary carbide based uranium fuels. Recent studies at the Innovative Nuclear Space Power and Propulsion Institute (INSPI) have demonstrated the feasibility of processing solid solution, ternary carbide fuels such as (U, Zr, Nb)C, (U, Zr, Ta)C, (U, Zr, Hf)C and (U, Zr, W)C. The square-lattice honeycomb design provides high strength and is amenable to the processing complexities of these ultrahigh temperature fuels. A parametric analysis is conducted to examine how core geometry, fuel thickness and the propellant flow area effect the thermal performance of the nuclear rocket engine. The principal variables include core size (length and diameter) and fuel element dimensions. The optimum core configuration requires a balance between high specific impulse and thrust level performance, and maintaining the temperature and strength limits of the fuel. A nuclear rocket engine simulation code is developed and used to examine the system performance as well as the performance of the main reactor core components. The system simulation code was originally developed for analysis of NERVA-Derivative and Pratt and Whitney XNR-2000 nuclear thermal rockets. The code is modified and adopted to the square-lattice geometry of the new fuel design. Thrust levels ranging from 44,500 to 222,400 N (10,000 to 50,000 lbf) are considered. The average hydrogen exit temperature is kept at 2800 K, which is well below the melting point of these fuels. For a nozzle area ratio of 300 and a thrust chamber pressure of 4.8 Mpa (700 psi), the specific impulse is 930 s. Hydrogen temperature and pressure distributions in the core and the fuel maximum temperatures are calculated.

  15. Experimental study of heat conductivity of n-heptane-n-octane-isooctane liquid ternary mixtures at high pressure

    SciTech Connect

    Naziev, D.Ya.

    1994-03-20

    Heat conductivity of liquid ternary mixtures of various compositions at various pressures and temperatures was experimentally studied. Dependence of heat conductivities of ternary mixtures on concentration of components was established. An equation linking the heat conductivities of ternary mixtures through those of pure components and appropriate binary mixtures was proposed.

  16. On the Dissolution Behavior of Sulfur in Ternary Silicate Slags

    NASA Astrophysics Data System (ADS)

    Kang, Youn-Bae; Park, Joo Hyun

    2011-12-01

    Sulfur dissolution behavior, in terms of sulfide capacity ( C S), in ternary silicate slags (molten oxide slags composed of MO - NO - SiO2, where M and N are Ca, Mn, Fe, and Mg), is discussed based on available experimental data. Composition dependence of the sulfur dissolution, at least in the dilute region of sulfur, may be explained by taking into account the cation-anion first-nearest-neighbor (FNN) interaction (stability of sulfide) and the cation-cation second-nearest-neighbor (SNN) interaction over O anion (oxygen proportions in silicate slags). When the Gibbs energy of a reciprocal reaction MO + NS = MS + NO is positive, the sulfide capacity of slags with virtually no SiO2 or low SiO2 concentration decreases as the concentration of MO increases. However, in some slags, as SiO2 concentration increases, replacing NO by MO at a constant SiO2 concentration may increase sulfide capacity when the basicity of NO is less than that of MO. This phenomenon is observed as rotation of iso- C S lines in ternary silicate slags, and it is explained by simultaneous consideration of the stability of sulfide and oxygen proportions in the silicate slags. It is suggested that a solution model for the prediction of sulfide capacity should be based on the actual dissolution mechanism of sulfur rather than on the simple empirical correlation.

  17. Tunable multifunctional topological insulators in ternary Heusler compounds.

    PubMed

    Chadov, Stanislav; Qi, Xiaoliang; Kübler, Jürgen; Fecher, Gerhard H; Felser, Claudia; Zhang, Shou Cheng

    2010-07-01

    Recently the quantum spin Hall effect was theoretically predicted and experimentally realized in quantum wells based on the binary semiconductor HgTe (refs 1-3). The quantum spin Hall state and topological insulators are new states of quantum matter interesting for both fundamental condensed-matter physics and material science. Many Heusler compounds with C1(b) structure are ternary semiconductors that are structurally and electronically related to the binary semiconductors. The diversity of Heusler materials opens wide possibilities for tuning the bandgap and setting the desired band inversion by choosing compounds with appropriate hybridization strength (by the lattice parameter) and magnitude of spin-orbit coupling (by the atomic charge). Based on first-principle calculations we demonstrate that around 50 Heusler compounds show band inversion similar to that of HgTe. The topological state in these zero-gap semiconductors can be created by applying strain or by designing an appropriate quantum-well structure, similar to the case of HgTe. Many of these ternary zero-gap semiconductors (LnAuPb, LnPdBi, LnPtSb and LnPtBi) contain the rare-earth element Ln, which can realize additional properties ranging from superconductivity (for example LaPtBi; ref. 12) to magnetism (for example GdPtBi; ref. 13) and heavy fermion behaviour (for example YbPtBi; ref. 14). These properties can open new research directions in realizing the quantized anomalous Hall effect and topological superconductors.

  18. Thermoelectric materials ternary penta telluride and selenide compounds

    DOEpatents

    Sharp, Jeffrey W.

    2001-01-01

    Ternary tellurium compounds and ternary selenium compounds may be used in fabricating thermoelectric devices with a thermoelectric figure of merit (ZT) of 1.5 or greater. Examples of such compounds include Tl.sub.2 SnTe.sub.5, Tl.sub.2 GeTe.sub.5, K.sub.2 SnTe.sub.5 and Rb.sub.2 SnTe.sub.5. These compounds have similar types of crystal lattice structures which include a first substructure with a (Sn, Ge) Te.sub.5 composition and a second substructure with chains of selected cation atoms. The second substructure includes selected cation atoms which interact with selected anion atoms to maintain a desired separation between the chains of the first substructure. The cation atoms which maintain the desired separation between the chains occupy relatively large electropositive sites in the resulting crystal lattice structure which results in a relatively low value for the lattice component of thermal conductivity (.kappa..sub.g). The first substructure of anion chains indicates significant anisotropy in the thermoelectric characteristics of the resulting semiconductor materials.

  19. Thermoelectric materials: ternary penta telluride and selenide compounds

    DOEpatents

    Sharp, Jeffrey W.

    2002-06-04

    Ternary tellurium compounds and ternary selenium compounds may be used in fabricating thermoelectric devices with a thermoelectric figure of merit (ZT) of 1.5 or greater. Examples of such compounds include Tl.sub.2 SnTe.sub.5, Tl.sub.2 GeTe.sub.5, K.sub.2 SnTe.sub.5 and Rb.sub.2 SnTe.sub.5. These compounds have similar types of crystal lattice structures which include a first substructure with a (Sn, Ge) Te.sub.5 composition and a second substructure with chains of selected cation atoms. The second substructure includes selected cation atoms which interact with selected anion atoms to maintain a desired separation between the chains of the first substructure. The cation atoms which maintain the desired separation between the chains occupy relatively large electropositive sites in the resulting crystal lattice structure which results in a relatively low value for the lattice component of thermal conductivity (.kappa..sub.g). The first substructure of anion chains indicates significant anisotropy in the thermoelectric characteristics of the resulting semiconductor materials.

  20. Percolation in binary and ternary mixtures of patchy colloids

    NASA Astrophysics Data System (ADS)

    Seiferling, Felix; de las Heras, Daniel; Telo da Gama, Margarida M.

    2016-08-01

    We investigate percolation in binary and ternary mixtures of patchy colloidal particles theoretically and using Monte Carlo simulations. Each particle has three identical patches, with distinct species having different types of patch. Theoretically we assume tree-like clusters and calculate the bonding probabilities using Wertheim's first-order perturbation theory for association. For ternary mixtures, we find up to eight fundamentally different percolated states. The states differ in terms of the species and pairs of species that have percolated. The strongest gel is a trigel or tricontinuous gel, in which each of the three species has percolated. The weakest gel is a mixed gel in which all of the particles have percolated, but none of the species percolates by itself. The competition between entropy of mixing and internal energy of bonding determines the stability of each state. Theoretical and simulation results are in very good agreement. The only significant difference is the temperature at the percolation threshold, which is overestimated by the theory due to the absence of correlations between bonds in the theoretical description.

  1. Ternary alloying effects in polycrystalline {beta}-NiAl

    SciTech Connect

    Cotton, J.D.; Noebe, R.D.; Kaufman, M.J.

    1993-05-01

    Purpose of this paper is to summarize alloying research to date in polycrystalline NiAl and its impact on microstructure and ambient temperature properties. It is divided into the following sections: phase equilibria, solid solution effects and precipitation effects. Alloys that contain a high volume fraction of second phase (e.g. pseudobinary eutectic compositions) are not considered. Rather, the effects of dilute to moderate ternary alloying additions on the structure and properties of {beta}-NiAl are reviewed. It is already well established that stoichiometry is paramount in controlling mechanical properties of the binary compound. Since the addition of a third element is equally important, ternary phase equilibria are reviewed first. Solid solution strengthening is probably the least well understood particularly with respect to the nature of point defects and their contribution to strength. Characterization of these defects and their role in mechanical properties may well hold the key to future development of NiAl-based materials. With regard to second phases, there is limited evidence that the classical precipitation hardening mechanisms for metals are also applicable to NiAl.

  2. Ternary fission of 260No in collinear configuration

    NASA Astrophysics Data System (ADS)

    Ismail, M.; Seif, W. M.; Hashem, A. S.; Botros, M. M.; Abdul-Magead, I. A. M.

    2016-09-01

    We investigate the collinear ternary fission of the 260No isotope. The calculations are performed in the framework of the three cluster model for all possible accompanied light particles of even mass numbers A = 4 - 52. The folding nuclear and Coulomb interaction potentials are used, based on the M3Y-Reid nucleon-nucleon force for the nuclear part. The deformation of the involved fragments and their relative orientations with respect to each other inside the fissioning nuclei are considered. Among all possible fragmentation channels, the suggested most probable channels are indicated as the ones showing a peak in the Q-value and a local minimum in the fragmentation potential, with respect to the mass and charge asymmetries. The indicated favored fragmentation channels from the approximate spherical calculations and those obtained after considering the deformations of the produced fragments are discussed in detail. In addition to the preferred heavy fragments of closed shells, favored prolate ones of high deformations appear when the nuclear deformations are taken into account. Among indicated fifty six favored channels, a collinear ternary fission of the 260No isotope is indicated to be most favored through the fragmentation channels of 15058Ce+410Be+40100Zr,60152Nd+412Be+3896Sr,58150Ce+614C+3896Sr,58148Ce+616C+3896Sr,54140Xe+822O+4098Zr,42106Mo+1848Ar+42106Mo and 41104Nb+2052Ca+41104Nb.

  3. Binding Energy Calculations for Novel Ternary Ionic Lattices

    NASA Astrophysics Data System (ADS)

    Rodríguez-Mijangos, Ricardo; Vazquez-Polo, Gustavo

    2002-03-01

    Theoretical calculations for the binding energy between metalic ions and negative ions on a novel ternary ionic lattice is carried out for several solid solutions prepared with different concentrations and characterized recently (1). The ternary lattices that reach a good miscibility are: KCl(x)KBr(y)RbCl(z) in three different concentrations: (x=y=z=0.33), (x=0.5, y=0.25, z=0.25) and (x=0.33, y=0.07, z=0.60). The binding energy for these novel structures is calculated from the lattice constants obtained by X ray diffractometry analysis performed on the samples and the Vegard law (2). For the repulsive force exponent m, an average of the m values was considered. The energy values obtained by the Born´expression are compared with corresponding energy values from the lattice with more complex expressions, such as the Born Mayer, Born-Van der Walls. There is a good aggreement between all these calculations. (1)R. R. Mijangos, A. Cordero-Borboa, E. Alvarez, M. Cervantes, Physics Letters A 282 (2001) 195-200. (2) G. Vazquez-Polo, R. R. Mijangos et al. Revista Mexicana de Fisica, 47, Diciembre 2001. In Press.

  4. Percolation in binary and ternary mixtures of patchy colloids.

    PubMed

    Seiferling, Felix; de Las Heras, Daniel; Telo da Gama, Margarida M

    2016-08-21

    We investigate percolation in binary and ternary mixtures of patchy colloidal particles theoretically and using Monte Carlo simulations. Each particle has three identical patches, with distinct species having different types of patch. Theoretically we assume tree-like clusters and calculate the bonding probabilities using Wertheim's first-order perturbation theory for association. For ternary mixtures, we find up to eight fundamentally different percolated states. The states differ in terms of the species and pairs of species that have percolated. The strongest gel is a trigel or tricontinuous gel, in which each of the three species has percolated. The weakest gel is a mixed gel in which all of the particles have percolated, but none of the species percolates by itself. The competition between entropy of mixing and internal energy of bonding determines the stability of each state. Theoretical and simulation results are in very good agreement. The only significant difference is the temperature at the percolation threshold, which is overestimated by the theory due to the absence of correlations between bonds in the theoretical description. PMID:27544122

  5. Comparative analysis of binary and ternary cyclodextrin complexes with econazole nitrate in solution and in solid state.

    PubMed

    Jug, Mario; Mennini, Natascia; Kövér, Katalin E; Mura, Paola

    2014-03-01

    The aim of this work was to investigate in-depth interactions of econazole nitrate (ECN), a very poorly water-soluble antifungal agent, with different β-cyclodextrin (βCD) derivatives, and to evaluate the potential synergistic effect of suitable third compounds (l-amino acids, citric acid, hydrophilic polymers). Phase-solubility studies showed the formation of equimolar complexes with all tested CDs, and indicated sulfobutyl-βCD (SBEβCD) as the best complexing and solubilizing agent for ECN, followed by hydroxypropyl-βCD (HPβCD). 1D and 2D (1)H NMR studies demonstrated the actual formation of inclusion complexes of 1:1mol:mol stoichiometry, and gave insight about different inclusion modes of ECN molecule into the CD cavity, simultaneously existing in solution. Among the different tested ternary systems, only those with citric acid (CA) enabled a significant increase in complexing and solubilizing ability towards the drug with respect to the binary ones, indicating a synergistic effect between SBEβCD and CA and the formation of highly soluble ternary complexes, which was further supported by NMR studies. Solid equimolar binary and ternary systems of ECN, CDs and CA were prepared by co-grinding in high energy vibrational micro-mills and characterized by differential scanning calorimetry, X-ray powder diffractometry and in vitro dissolution studies. In the case of binary systems, total sample amorphization, indicative of strong solid state interactions and possible inclusion complex formation, was obtained only for co-ground products with HPβCD and SBEβCD, but they both presented a dissolution profile typical of a supersaturated system, with a limited improvement of drug dissolution efficiency (8.3 and 22.13 times, respectively). On the contrary, the ternary ECN/SBEβCD/CA co-ground product presented superior dissolution properties, increasing the ECN dissolution efficiency of 66.62 times, clearly having the best potential for further development of a novel

  6. Co(x)Ni(4-x)Sb(12-y)Sn(y) Ternary Skutterudites: Processing and Thermoelectric Properties

    NASA Technical Reports Server (NTRS)

    Mackey, Jon; Sehirlioglu, Alp; Dynys, Fred

    2014-01-01

    Skutterudites have proven to be a useful thermoelectric system as a result of their high figure of merit, favorable mechanical properties, and good thermal stability. Binary skutterudites have received the majority of interest in recent years, as a result of successful double and triple filling schemes. Ternary skutterudites, such as Ni4Sb7Sn5, also demonstrate good thermoelectric performance, with high power factor and low thermal conductivity. Ternary skutterudites, as contrasted to binary systems, provide more possibility for tuning electronic structure as substitutions can be studied on three elements. The Co(x)Ni(4-x)Sb(12-y)Sn(y) system has been investigated as both a p- and n-type thermoelectric material, stable up to 200 C. The system is processed through a combination of solidification, mechanical alloying, and hot pressing steps. Rietveld structure refinement has revealed an interesting occupancy of Sn on both the 24g Wyckoff position with Sb as well as the 2a position as a rattler. In addition to thermoelectric properties, detailed processing routes have been investigated on the system.

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

    NASA Astrophysics Data System (ADS)

    Gilliland, Amanda Louise

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

  8. Neural correlates of intentional switching from ternary to binary meter in a musical hemiola pattern.

    PubMed

    Fujioka, Takako; Fidali, Brian C; Ross, Bernhard

    2014-01-01

    Musical rhythms are often perceived and interpreted within a metrical framework that integrates timing information hierarchically based on interval ratios. Endogenous timing processes facilitate this metrical integration and allow us using the sensory context for predicting when an expected sensory event will happen ("predictive timing"). Previously, we showed that listening to metronomes and subjectively imagining the two different meters of march and waltz modulated the resulting auditory evoked responses in the temporal lobe and motor-related brain areas such as the motor cortex, basal ganglia, and cerebellum. Here we further explored the intentional transitions between the two metrical contexts, known as hemiola in the Western classical music dating back to the sixteenth century. We examined MEG from 12 musicians while they repeatedly listened to a sequence of 12 unaccented clicks with an interval of 390 ms, and tapped to them with the right hand according to a 3 + 3 + 2 + 2 + 2 hemiola accent pattern. While participants listened to the same metronome sequence and imagined the accents, their pattern of brain responses significantly changed just before the "pivot" point of metric transition from ternary to binary meter. Until 100 ms before the pivot point, brain activities were more similar to those in the simple ternary meter than those in the simple binary meter, but the pattern was reversed afterwards. A similar transition was also observed at the downbeat after the pivot. Brain areas related to the metric transition were identified from source reconstruction of the MEG using a beamformer and included auditory cortices, sensorimotor and premotor cortices, cerebellum, inferior/middle frontal gyrus, parahippocampal gyrus, inferior parietal lobule, cingulate cortex, and precuneus. The results strongly support that predictive timing processes related to auditory-motor, fronto-parietal, and medial limbic systems underlie metrical representation and its transitions

  9. Characterization of Ternary NiTiPt High-Temperature Shape Memory Alloys

    NASA Technical Reports Server (NTRS)

    Rios, Orlando; Noebe, Ronald; Biles, Tiffany; Garg, Anita; Palczer, Anna; Scheiman, Daniel; Seifert, Hans Jurgen; Kaufman, Michael

    2005-01-01

    Pt additions substituted for Ni in NiTi alloys are known to increase the transformation temperature of the alloy but only at fairly high Pt levels. However, until now only ternary compositions with a very specific stoichiometry, Ni50-xPtxTi50, have been investigated and then only to very limited extent. In order to learn about this potential high-temperature shape memory alloy system, a series of over twenty alloys along and on either side of a line of constant stoichiometry between NiTi and TiPt were arc melted, homogenized, and characterized in terms of their microstructure, transformation temperatures, and hardness. The resulting microstructures were examined by scanning electron microscopy and the phase compositions quantified by energy dispersive spectroscopy."Stoichiometric" compositions along a line of constant stoichiometry between NiTi to TiPt were essentially single phase but by any deviations from a stoichiometry of (Ni,Pt)50Ti50 resulted in the presence of at least two different intermetallic phases, depending on the overall composition of the alloy. Essentially all alloys, whether single or two-phase, still under went a martensitic transformation. It was found that the transformation temperatures were depressed with initial Pt additions but at levels greater than 10 at.% the transformation temperature increased linearly with Pt content. Also, the transformation temperatures were relatively insensitive to alloy stoichiometry within the range of alloys examined. Finally, the dependence of hardness on Pt content for a series of Ni50-xPtxTi50 alloys showed solution softening at low Pt levels, while hardening was observed in ternary alloys containing more than about 10 at.% Pt. On either side of these "stoichiometric" compositions, hardness was also found to increase significantly.

  10. Neural correlates of intentional switching from ternary to binary meter in a musical hemiola pattern

    PubMed Central

    Fujioka, Takako; Fidali, Brian C.; Ross, Bernhard

    2014-01-01

    Musical rhythms are often perceived and interpreted within a metrical framework that integrates timing information hierarchically based on interval ratios. Endogenous timing processes facilitate this metrical integration and allow us using the sensory context for predicting when an expected sensory event will happen (“predictive timing”). Previously, we showed that listening to metronomes and subjectively imagining the two different meters of march and waltz modulated the resulting auditory evoked responses in the temporal lobe and motor-related brain areas such as the motor cortex, basal ganglia, and cerebellum. Here we further explored the intentional transitions between the two metrical contexts, known as hemiola in the Western classical music dating back to the sixteenth century. We examined MEG from 12 musicians while they repeatedly listened to a sequence of 12 unaccented clicks with an interval of 390 ms, and tapped to them with the right hand according to a 3 + 3 + 2 + 2 + 2 hemiola accent pattern. While participants listened to the same metronome sequence and imagined the accents, their pattern of brain responses significantly changed just before the “pivot” point of metric transition from ternary to binary meter. Until 100 ms before the pivot point, brain activities were more similar to those in the simple ternary meter than those in the simple binary meter, but the pattern was reversed afterwards. A similar transition was also observed at the downbeat after the pivot. Brain areas related to the metric transition were identified from source reconstruction of the MEG using a beamformer and included auditory cortices, sensorimotor and premotor cortices, cerebellum, inferior/middle frontal gyrus, parahippocampal gyrus, inferior parietal lobule, cingulate cortex, and precuneus. The results strongly support that predictive timing processes related to auditory-motor, fronto-parietal, and medial limbic systems underlie metrical representation and its

  11. Measurement of the Soret coefficients for a ternary hydrocarbon mixture in low gravity environment.

    PubMed

    Ahadi, Amirhossein; Varenbergh, S Van; Saghir, M Ziad

    2013-05-28

    While the Soret coefficients of binary mixtures have been widely measured in the past, here we report the first measurement of the Soret coefficient of a ternary mixture in a low gravity environment on board the International Space Station. The sample was contained in a 10 mm × 10 mm × 5 mm (w, l, h) cell and was monitored by means of a Mach-Zehnder interferometer at two wavelengths. The analyzed sample was a mixture of tetrahydronaphthalene, isobutylbenzene, and dodecane at the weight fraction of 0.1∕0.8∕0.1. While the lateral walls of the cell did not possess complete thermal isolation, the separation of the components in the central region of the cavity was comparable to purely diffusive behavior. The same experimental parameters have been monitored in Run7 and Run12 of the Selectable Optical Diagnostics Instrument-Diffusion and Soret Coefficient experiment in order to verify the accuracy of the setup. The similarity of the results demonstrates the repeatability of thermodiffusion experiments in a microgravity environment. There was nearly equal separation of the tetrahydronaphthalene and isobutylbenzene components in opposite directions, while dodecane experienced a weak separation in the same direction as isobutylbenzene. Finally, Fourier image processing and calculations of the transient separation of the components were used to analyze the heat transfer in the system and to measure the Soret coefficients for this ternary mixture. The successful measurements shown in this work can serve as the standard for ground experiments and for numerical modeling of hydrocarbon mixtures. PMID:23742467

  12. Carbon fabric-aligned carbon nanotube/MnO2/conducting polymers ternary composite electrodes with high utilization and mass loading of MnO2 for super-capacitors

    NASA Astrophysics Data System (ADS)

    Lv, Peng; Feng, Yi Y.; Li, Yu; Feng, Wei

    2012-12-01

    3D porous ternary composite electrodes have been prepared by electrodepositing MnO2 and poly(3,4-ethylenedioxythiophene) (PEDOT) successively on carbon fabric-aligned carbon nanotube (CF-ACNT) hybrids for the super-capacitors. MnO2 petal-like nano-sheets are deposited on the ACNT surface with PEDOT uniformly encapsulated and interconnected MnO2 nano-sheets and ACNTs. Cyclic voltammetry shows the MnO2 utilization of ternary composites up to 77.7%, which far exceeds that of MnO2/CNT-based materials reported recently. Moreover, the 3D porous ternary system allows large mass loading of MnO2. And the ternary composites can remain a high MnO2 utilization of 36% with the MnO2 mass loading up to 3.11 mg cm-2 while achieve a reasonable area-normalized capacitance of 1.3 F cm-2 at 0.1 mV s-1. The ternary composites with substantially high mass loading exhibit an excellent rate capability and cycling stability, retaining over 95% of its initial charge after 1000 cycles. The excellent electrochemical performances are attributed to the synergetic effect of each component with unique properties and structures: high porosity and interconnectivity of CF, aligned ion diffusion channels along ACNTs, ultrathin MnO2 nano-sheets and the improved conductivity by PEDOT.

  13. Influence of polymer compatibility on the open-circuit voltage in ternary blend bulk heterojunction solar cells.

    PubMed

    Khlyabich, Petr P; Rudenko, Andrey E; Street, Robert A; Thompson, Barry C

    2014-07-01

    The evolution of the open-circuit voltage (Voc) with composition in ternary blend bulk heterojunction (BHJ) solar cells is correlated with the miscibility of the polymers. Ternary blends based on poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT) and poly(3-hexylthiophene-thiophene-diketopyrrolopyrrole) (P3HTT-DPP-10%) with phenyl-C61-butyric acid methyl ester (PC61BM) acceptor were investigated. The Voc is pinned to the lower value of the P3HTT-DPP-10%:PC61BM binary blend even up to 95% PCDTBT in the polymer fraction. This is in stark contrast to the previously investigated system based on P3HTT-DPP-10%, poly(3-hexylthiophene-co-3-(2-ethylhexyl)thiophene) (P3HT75-co-EHT25), and PC61BM, where the Voc varied regularly across the full composition range, as explained by an organic alloy model, implying strong physical and electronic interaction between the polymers. Photocurrent spectral response (PSR) and external quantum efficiency (EQE) measurements indicate that the present system does not exhibit the hallmarks of alloy formation. Measured values of the surface energies of the polymers support miscibility of P3HTT-DPP-10% with P3HT75-co-EHT25 but not with PCDTBT. Surface energy is proposed as a figure of merit for predicting alloy formation and compositional dependence of the Voc in ternary blend solar cells and miscibility between polymers is proposed as a necessary attribute for polymer pairs that will display alloy behavior.

  14. Identification and quantification of components in ternary vapor mixtures using a microcantilever sensor array and a neural network

    SciTech Connect

    Zhao, W; Pinnaduwage, Lal A; Leis, J. W.; Gehl, Anthony C; Allman, Steve L; Shepp, A.; Mahmud, K.

    2008-01-01

    We report the experimental details on the successful application of the electronic nose approach to identify and quantify components in ternary vapor mixtures. Preliminary results have recently been presented [L. A. Pinnaduwage et al., Appl. Phys. Lett. 91, 044105 (2007)]. Our microelectromechanical-system-based electronic nose is composed of a microcantilever sensor array with seven individual sensors used for vapor detection and an artificial neural network for pattern recognition. A set of custom vapor generators generated reproducible vapor mixtures in different compositions for training and testing of the neural network. The sensor array was selected to be capable of generating different response patterns to mixtures with different component proportions. Therefore, once the electronic nose was trained by using the response patterns to various compositions of the mixture, it was able to predict the composition of 'unknown' mixtures. We have studied two vapor systems: one included the nerve gas simulant dimethylmethyl phosphonate at ppb concentrations and water and ethanol at ppm concentrations; the other system included acetone, water, and ethanol all of which were at ppm concentrations. In both systems, individual, binary, and ternary mixtures were analyzed with good reproducibility.

  15. Case study of binary and ternary synthetic discriminant function filters with similar in-class and out-of-class images

    NASA Technical Reports Server (NTRS)

    Downie, John D.

    1993-01-01

    A simulation study is reported of the performance of two designs of ternary synthetic discriminant function (SDF) filters. The filters are compared to binary SDFs in terms of the probability of correct identification P(ID) between in-class and out-of-class image sets. Compared to binary synthetic discriminant function (BSDF) filters, both ternary SDF filters designs offer improved performance in P(ID) and thus allow extension of the maximum filter direction range when evaluated in the presence of white image noise. Larger distortion range filters translate to fewer correlations required to perform image identification, and thus higher system speed. The TSDF(SNR) filters had the highest of system performance, while TSDF(d) filters were able to improve discrimination to a degree, but their optimal designs had essentially the same SNR performance as the BSDF filters.

  16. Hardness and Microstructure of Binary and Ternary Nitinol Compounds

    NASA Technical Reports Server (NTRS)

    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.

  17. Excitons in semiconducting superlattices, quantum wells, and ternary alloys

    SciTech Connect

    Sturge, M.D. . Dept. of Physics); Nahory, R.E.; Tamargo, M.C. )

    1990-08-22

    It is now possible to fabricated semiconducting layered structures with precisely defined layer thicknesses of a few atomic diameters. Examples are the quantum well'' and the superlattice'' structures, in which semiconductors with different band gaps are interleaved. Microstructures'' can be produced from this material by patterning and etching them on a small ({approximately}10nm) scale. Their electronic properties are quite different from those of the constituents and offer interesting new possibilities both in device design and in basic physics. This proposal aims to improve our understanding of optically excited states ( excitons'' and electron-hole plasmas'') in these structures. Work will also continue on ternary alloys, primarily to establish if the alloy disorder produces a mobility edge for excitons, and on II-VI compounds, where the principal interest at present is in the nature of the exciton-phonon coupling.

  18. Pattern formation in a sandpile of ternary granular mixtures

    NASA Astrophysics Data System (ADS)

    Shimokawa, Michiko; Suetsugu, Yuki; Hiroshige, Ryoma; Hirano, Takeru; Sakaguchi, Hidetsugu

    2015-06-01

    Pattern formation in a sandpile is investigated by pouring a ternary mixture of grains into a vertical narrow cell. Size segregation in avalanches causes the formation of patterns. Four kinds of patterns emerge: stratification, segregation, upper stratification-lower segregation, and upper segregation-lower stratification. A phase diagram is constructed in a parameter space of θ11/θ33 and θ22/θ33 , where θ11,θ22 , and θ33 are the repose angles of small, intermediate, and large grains, respectively. To qualitatively understand pattern formation, a phenomenological model based on a roll-or-stay rule is proposed. A similar pattern formation is found in a numerical simulation of the phenomenological model. These results suggest that the ratios of the repose angles of three kinds of grains are important for pattern formation in a sandpile.

  19. Structural and Thermoelectric Properties of Ternary Full-Heusler Alloys

    NASA Astrophysics Data System (ADS)

    Hayashi, K.; Eguchi, M.; Miyazaki, Y.

    2016-09-01

    The thermoelectric properties of ternary full-Heusler alloys, Co2 YZ, which are in a ferromagnetic state up to high temperature above 300 K, were measured and are discussed in terms of the crystal structure and electronic states. Among the full-Heusler alloys studied, the Co2MnSi sample exhibited the highest absolute value of Seebeck coefficient and also the highest electrical conductivity in the temperature range from 300 K to 1023 K. The highest power factor of 2.9 × 10-3 W/m-K2 was obtained for the Co2MnSi sample at 550 K, demonstrating the potential of half-metallic full-Heusler alloys as thermoelectric materials.

  20. Monte Carlo studies of ordering in nitride ternary alloys

    NASA Astrophysics Data System (ADS)

    Łopuszyński, Michał; Majewski, Jacek A.

    2013-12-01

    We present exemplary results of extensive theoretical studies that shed light on the longstanding problem of composition fluctuations in nitride alloys. We analyze short- and long-range ordering (SRO and LRO on the zinc-blende cationic sublattice in bulk nitride ternary alloys, GaInN, AlInN, and AlGaN. This comprehensive analysis is based on Monte Carlo calculations within the NVT ensemble, covers the whole range of concentrations, and temperatures from 873 K up to 1673 K. It turns out that for In containing alloys (i.e., GaInN and AlInN), the considerable degree of SRO occurs as quantified by Warren-Cowley short-range order parameter. On the contrary, for AlGaN alloy, any kind of short-range order is negligible. Also, we do not observe any long range ordering for all three alloys studied.

  1. Ternary dendritic nanowires as highly active and stable multifunctional electrocatalysts.

    PubMed

    Yang, Yoojin; Jin, Haneul; Kim, Ho Young; Yoon, Jisun; Park, Jongsik; Baik, Hionsuck; Joo, Sang Hoon; Lee, Kwangyeol

    2016-08-18

    Multimetallic nanocatalysts with a controlled structure can provide enhanced catalytic activity and durability by exploiting electronic, geometric, and strain effects. Herein, we report the synthesis of a novel ternary nanocatalyst based on Mo doped PtNi dendritic nanowires (Mo-PtNi DNW) and its bifunctional application in the methanol oxidation reaction (MOR) at the anode and the oxygen reduction reaction (ORR) at the cathode for direct methanol fuel cells. An unprecedented Mo-PtNi DNW structure can combine multiple structural attributes of the 1D nanowire morphology and dendritic surfaces. In the MOR, Mo-PtNi DNW exhibits superior activity to Pt/C and Mo doped Pt dendritic nanowires (Mo-Pt DNW), and excellent durability. Furthermore, Mo-PtNi DNW demonstrates excellent activity and durability for the ORR. This work highlights the important role of compositional and structural control in nanocatalysts for boosting catalytic performances. PMID:27507777

  2. Ternary metal-rich sulfide with a layered structure

    DOEpatents

    Franzen, Hugo F.; Yao, Xiaoqiang

    1993-08-17

    A ternary Nb-Ta-S compound is provided having the atomic formula, Nb.sub.1.72 Ta.sub.3.28 S.sub.2, and exhibiting a layered structure in the sequence S-M3-M2-M1-M2-M3-S wherein S represents sulfur layers and M1, M2, and M3 represent Nb/Ta mixed metal layers. This sequence generates seven sheets stacked along the [001] direction of an approximate body centered cubic crystal structure with relatively weak sulfur-to-sulfur van der Waals type interactions between adjacent sulfur sheets and metal-to-metal bonding within and between adjacent mixed metal sheets.

  3. Site occupancies in ternary C15 ordered Laves phases

    SciTech Connect

    Kotula, P.G.; Chu, F.; Thoma, D.J.; Mitchell, T.E.; Anderson, I.M.; Bentley, J.

    1996-12-31

    Site occupancies in three C15-structured AB{sub 2}(X) Laves phases have been determined by Atom Location by CHanneling Enhanced MIcroanalysis (ALCHEMI). In NbCr{sub 2}(V), the results were consistent with exclusive site occupancies of Nb for the A sublattice and Cr and V for the B sublattice. The B-site occupancy of V is not expected from atom size effects alone. In NbCr{sub 2}(Ti), the results were consistent with Ti partitioning mostly to the A sites with some anti-site defects likely. In HfV{sub 2}(Nb), the results were consistent with Nb partitioning between the A and B sites. The results of the ALCHEMI analyses of these ternary C15 Laves phase materials will be discussed with respect to previously determined phase diagrams and first-principles total energy and electronic structure calculations.

  4. Unidirectional reflectionless phenomenon in periodic ternary layered material.

    PubMed

    Yang, Erchan; Lu, Yonghua; Wang, Yong; Dai, Yanmeng; Wang, Pei

    2016-06-27

    Unidirectional reflectionless phenomenon is reported in periodic ternary layered material (PTLM). The unit of the material is composed of two real dielectric layers and a complex medium (loss or gain) layer. The model is analyzed by coupled mode theory. Because of the asymmetric coupling between the forward and backward propagating modes, the left- and right-side reflectivities of this PTLM are generally unequal. The necessary and sufficient (NS) condition for unidirectional reflectionless phenomenon is presented in a concise formulation. And the underlying physical mechanism of the unidirectional reflectionless phenomenon in this material is revealed by numerical simulations. Both unidirectional reflectionless and symmetric reflection phenomena can be realized by judicious choice of the structural and optical parameters. PMID:27410586

  5. Ternary ceramic alloys of Zr-Ce-Hf oxides

    DOEpatents

    Becher, P.F.; Funkenbusch, E.F.

    1990-11-20

    A ternary ceramic alloy is described which produces toughening of zirconia and zirconia composites through the stress transformation from tetragonal phase to monoclinic phase. This alloy, having the general formula Ce[sub x]Hf[sub y]Zr[sub 1[minus]x[minus]y]O[sub 2], is produced through the addition of appropriate amounts of ceria and hafnia to the zirconia. Typically, improved toughness is achieved with about 5 to about 15 mol % ceria and up to about 40 mol % hafnia. The preparation of alloys of these compositions are given together with data as to the densities, tetragonal phase content, hardness and fracture toughness. The alloys are useful in preparing zirconia bodies as well as reinforcing ceramic composites. 1 fig.

  6. Ternary ceramic alloys of ZR-CE-HF oxides

    DOEpatents

    Becher, Paul F.; Funkenbusch, Eric F.

    1990-01-01

    A ternary ceramic alloy which produces toughening of zirconia and zirconia composites through the stress transformation from tetragonal phase to monoclinic phase. This alloy, having the general formula Ce.sub.x Hf.sub.y Zn.sub.1-x-y O.sub.2, is produced through the addition of appropriate amounts of ceria and hafnia to the zirconia. Typically, improved toughness is achieved with about 5 to about 15 mol % ceria and up to about 40 mol % hafnia. The preparation of alloys of these compositions are given together with data as to the densities, tetragonal phase content, hardness and fracture toughness. The alloys are useful in preparing zirconia bodies as well as reinforcing ceramic composites.

  7. Ternary oxide nanostructures and methods of making same

    DOEpatents

    Wong, Stanislaus S.; Park, Tae-Jin

    2009-09-08

    A single crystalline ternary nanostructure having the formula A.sub.xB.sub.yO.sub.z, wherein x ranges from 0.25 to 24, and y ranges from 1.5 to 40, and wherein A and B are independently selected from the group consisting of Ag, Al, As, Au, B, Ba, Br, Ca, Cd, Ce, Cl, Cm, Co, Cr, Cs, Cu, Dy, Er, Eu, F, Fe, Ga, Gd, Ge, Hf, Ho, I, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, Na, Nb, Nd, Ni, Os, P, Pb, Pd, Pr, Pt, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Ti, Tl, Tm, U, V, W, Y, Yb, and Zn, wherein the nanostructure is at least 95% free of defects and/or dislocations.

  8. Pattern formation in a sandpile of ternary granular mixtures.

    PubMed

    Shimokawa, Michiko; Suetsugu, Yuki; Hiroshige, Ryoma; Hirano, Takeru; Sakaguchi, Hidetsugu

    2015-06-01

    Pattern formation in a sandpile is investigated by pouring a ternary mixture of grains into a vertical narrow cell. Size segregation in avalanches causes the formation of patterns. Four kinds of patterns emerge: stratification, segregation, upper stratification-lower segregation, and upper segregation-lower stratification. A phase diagram is constructed in a parameter space of θ(11)/θ(33) and θ(22)/θ(33), where θ(11),θ(22), and θ(33) are the repose angles of small, intermediate, and large grains, respectively. To qualitatively understand pattern formation, a phenomenological model based on a roll-or-stay rule is proposed. A similar pattern formation is found in a numerical simulation of the phenomenological model. These results suggest that the ratios of the repose angles of three kinds of grains are important for pattern formation in a sandpile. PMID:26172703

  9. Zinc oxysulfide ternary alloy nanocrystals: A bandgap modulated photocatalyst

    SciTech Connect

    Pandey, Shiv K.; Pandey, Shipra; Pandey, Avinash C.; Mehrotra, G. K.

    2013-06-10

    Herein, we report a green economic route for the synthesis of a series of Zinc Oxysulfide (ZOS) (ZnO{sub 1-x}S{sub x}; 0 {<=} x {>=} 1; x = Sulfur) alloys nanoparticles. The crystallographic features of ZnO, ZOS, and ZnS confirmed by X-Ray Diffraction and validated by Transmission Electron Microscopy reveal the variation of lattice spacing in binary and ternary compositions with homogenous elemental distribution. The photocatalytic analysis of ZOS (0.4) is performed and compared with Degussa P25 to ascertain its photocatalytic activity against methyl orange under irradiation of 365 nm UV-Vis light. A bandgap of 2.7 eV for ZOS (0.4) aptly establishes its prospects for sunlight driven photocatalysis.

  10. Role of electron concentration in softening and hardening of ternary molybdenum alloys

    NASA Technical Reports Server (NTRS)

    Stephens, J. R.; Witzke, W. R.

    1975-01-01

    Effects of various combinations of hafnium, tantalum, rhenium, osmium, iridium, and platinum in ternary molybdenum alloys on alloy softening and hardening were determined. Hardness tests were conducted at four test temperatures over the temperature range 77 to 411 K. Results showed that hardness data for ternary molybdenum alloys could be correlated with anticipated results from binary data based upon expressions involving the number of s and d electrons contributed by the solute elements. The correlation indicated that electron concentration plays a dominant role in controlling the hardness of ternary molybdenum alloys.

  11. Self-regulated route to ternary hybrid nanocrystals of Ag-Ag2S-CdS with near-infrared photoluminescence and enhanced photothermal conversion

    NASA Astrophysics Data System (ADS)

    Zhu, Guoxing; Bao, Chunlin; Liu, Yuanjun; Shen, Xiaoping; Xi, Chunyan; Xu, Zheng; Ji, Zhenyuan

    2014-09-01

    Developing hybrid nanocrystals is a hot topic in materials science. Herein, a ternary hybrid nanocrystal, Ag-Ag2S-CdS, combining near infrared emission and photothermal conversion properties was demonstrated. The ternary Ag-Ag2S-CdS hybrid nanocrystals with cubic shape and uniform size were synthesized by a simple one-pot and one-step colloidal method. The growth process is self-regulated with the formation order of Ag2S, Ag, and CdS, sequentially. The formation of Ag originates from the partial reduction of Ag2S, while the formation of CdS is through an Ag2S catalytic mechanism based on its superionic feature. The obtained ternary hybrid nanocrystals show near infrared emission and photothermal conversion properties in a lab-on-a-particle system. Importantly, an enhanced effect is observed for the photothermal conversion, which is mainly due to the presence of heterointerfaces among the crystals. This work will not only advance the synthesis chemistry of multi-component hybrid nanocrystals but also provide a possible route for the design of advanced multi-model materials used in bio-related fields.Developing hybrid nanocrystals is a hot topic in materials science. Herein, a ternary hybrid nanocrystal, Ag-Ag2S-CdS, combining near infrared emission and photothermal conversion properties was demonstrated. The ternary Ag-Ag2S-CdS hybrid nanocrystals with cubic shape and uniform size were synthesized by a simple one-pot and one-step colloidal method. The growth process is self-regulated with the formation order of Ag2S, Ag, and CdS, sequentially. The formation of Ag originates from the partial reduction of Ag2S, while the formation of CdS is through an Ag2S catalytic mechanism based on its superionic feature. The obtained ternary hybrid nanocrystals show near infrared emission and photothermal conversion properties in a lab-on-a-particle system. Importantly, an enhanced effect is observed for the photothermal conversion, which is mainly due to the presence of

  12. Phase behaviour and non-monotonic film drying kinetics of aluminium chlorohydrate-glycerol-water ternary solutions.

    PubMed

    Ferretti, Giulia L; Cabral, João T

    2016-11-01

    We study the drying and film formation of a model ternary system comprising an inorganic salt (aluminium chlorohydrate, ACH), a humectant (glycerol) and water. Employing viscometric, X-ray diffraction, calorimetric, dynamic vapour sorption, spectroscopic, gravimetric and adhesion measurements, we examine the roles of humectant concentration, temperature and relative humidity (RH) in the phase behaviour and kinetics of film formation. Equilibrium film compositions are found to be non-monotonic with glycerol content. Around 15:4 ACH:glycerol mass ratio, films exhibit enhanced, albeit slower, desiccation, with water content lower than that of binary ACH-water solutions. At higher glycerol content, drying is faster, yet the resulting films have higher water content and remain tackier. Water adsorption/desorption is shown to be fully reversible, and share a similar non-monotonic kinetic dependence on glycerol composition. These findings are rationalised in terms of the competitive binding of water and glycerol to ACH, the overall miscibility and glass formation within the ternary system. Our study is relevant to a range of salt formulations, employed in a variety of commercial applications, including lyoprotectants and personal care products. PMID:27490196

  13. Vapor-liquid and vapor-liquid-liquid equilibria of carbon dioxide/n-perfluoroalkane/n-alkane ternary mixtures.

    PubMed

    Colina, Coray M; Gubbins, Keith E

    2005-02-24

    Perfluoroalkanes have numerous applications (e.g., in the medical field and the chemical industry), and their high affinity for carbon dioxide makes them attractive as surfactants and cosolvents. Although research in this area has grown in the past few years, very little phase-equilibrium data is available in the open literature for these systems. In this work, we present, for the first time, predictions of vapor-liquid and vapor-liquid-liquid equilibria of binary and ternary systems of carbon dioxide/n-perfluoroalkane/n-alkane. Our results are based on the SAFT-VR EOS (statistical associating fluid theory of variable range, equation of state), and we study the influence of temperature, pressure, composition, and chain length on the phase diagram. The predicted phase diagrams are based on temperature-independent binary interaction parameters, and no ternary parameters are introduced. Comparisons to the available experimental and molecular simulation data show that the predicted diagrams should provide a good representation of the phase equilibria.

  14. A novel, efficient CNTFET Galois design as a basic ternary-valued logic field

    PubMed Central

    Keshavarzian, Peiman; Mirzaee, Mahla Mohammad

    2012-01-01

    This paper presents arithmetic operations, including addition and multiplication, in the ternary Galois field through carbon nanotube field-effect transistors (CNTFETs). Ternary logics have received considerable attention among all the multiple-valued logics. Multiple-valued logics are an alternative to common-practice binary logic, which mostly has been expanded from ternary (three-valued) logic. CNTFETs are used to improve Galois field circuit performance. In this study, a novel design technique for ternary logic gates based on CNTFETs was used to design novel, efficient Galois field circuits that will be compared with the existing resistive-load CNTFET circuit designs. In this paper, by using carbon nanotube technology and avoiding the use of resistors, we will reduce power consumption and delay, and will also achieve a better product. Simulation results using HSPICE illustrate substantial improvement in speed and power consumption. PMID:24198492

  15. A novel, efficient CNTFET Galois design as a basic ternary-valued logic field.

    PubMed

    Keshavarzian, Peiman; Mirzaee, Mahla Mohammad

    2012-01-01

    This paper presents arithmetic operations, including addition and multiplication, in the ternary Galois field through carbon nanotube field-effect transistors (CNTFETs). Ternary logics have received considerable attention among all the multiple-valued logics. Multiple-valued logics are an alternative to common-practice binary logic, which mostly has been expanded from ternary (three-valued) logic. CNTFETs are used to improve Galois field circuit performance. In this study, a novel design technique for ternary logic gates based on CNTFETs was used to design novel, efficient Galois field circuits that will be compared with the existing resistive-load CNTFET circuit designs. In this paper, by using carbon nanotube technology and avoiding the use of resistors, we will reduce power consumption and delay, and will also achieve a better product. Simulation results using HSPICE illustrate substantial improvement in speed and power consumption.

  16. A novel, efficient CNTFET Galois design as a basic ternary-valued logic field.

    PubMed

    Keshavarzian, Peiman; Mirzaee, Mahla Mohammad

    2012-01-01

    This paper presents arithmetic operations, including addition and multiplication, in the ternary Galois field through carbon nanotube field-effect transistors (CNTFETs). Ternary logics have received considerable attention among all the multiple-valued logics. Multiple-valued logics are an alternative to common-practice binary logic, which mostly has been expanded from ternary (three-valued) logic. CNTFETs are used to improve Galois field circuit performance. In this study, a novel design technique for ternary logic gates based on CNTFETs was used to design novel, efficient Galois field circuits that will be compared with the existing resistive-load CNTFET circuit designs. In this paper, by using carbon nanotube technology and avoiding the use of resistors, we will reduce power consumption and delay, and will also achieve a better product. Simulation results using HSPICE illustrate substantial improvement in speed and power consumption. PMID:24198492

  17. Binary and ternary adsorption of n-alkane mixtures on activated carbon

    SciTech Connect

    Kalies, G.; Braeuer, P.; Messow, U.

    1999-06-15

    The adsorption isotherms of the binary n-alkane mixtures n-hexane/n-octane, n-octane/n-tetradecane, and n-hexane/n-tetradecane on the activated carbon TA 95 are measured at 298 K and described with mathematical functions. About 40 experimental values of the adsorption excess of the ternary mixture n-hexane/n-octane/n-tetradecane on activated carbon TA 95 at 298 K are gas chromatographically measured inside the ternary triangle. The ternary data are represented in the three-dimensional space with the help of transformation of coordinates and by utilization of the conception of the quasi-two-component representation of the mole fractions. A consistency test for the specific wetting Gibbs energies calculated from the binary data is carried out. The possibilities for a mathematical prediction of ternary data from adsorption data for the constituent binary mixtures are proved.

  18. Photovoltaic Devices Employing Ternary PbSxSe1-x Nanocrystals

    SciTech Connect

    Ma, Wanli; Luther, Joseph; Zheng, Haimei; Wu, Yue; Alivisatos, A. Paul

    2009-02-05

    We report solar cells based on highly confined nanocrystals of the ternary compound PbSxSe1-x. Crystalline, monodisperse alloyed nanocrystals are obtained using a one-pot, hot injection reaction. Rutherford back scattering and energy filtered transmission electron microscopy suggest that the S and Se anions are uniformly distributed in the alloy nanoparticles. Photovoltaic devices made using ternary nanoparticles are more efficient than either pure PbS or pure PbSe based nanocrystal devices.

  19. Ternary Artificial Nacre Reinforced by Ultrathin Amorphous Alumina with Exceptional Mechanical Properties.

    PubMed

    Zhao, Hewei; Yue, Yonghai; Zhang, Youwei; Li, Lidong; Guo, Lin

    2016-03-01

    A novel ternary artificial nacre is developed through a vacuum-assisted filtration method, with reinforced ultrathin amorphous alumina that is grown in situ on the surface of GO. This ternary artificial nacre simultaneously shows exceptional strength and toughness, which have, up to now, been considered to be mutually exclusive. This novel material will play a role in the structuring of future materials. PMID:26780718

  20. Binary and ternary gas mixtures for use in glow discharge closing switches

    DOEpatents

    Hunter, Scott R.; Christophorou, Loucas G.

    1990-01-01

    Highly efficient binary and ternary gas mixtures for use in diffuse glow discharge closing switches are disclosed. The binary mixtures are combinations of helium or neon and selected perfluorides. The ternary mixtures are combinations of helium, neon, or argon, a selected perfluoride, and a small amount of gas that exhibits enhanced ionization characteristics. These mixtures are shown to be the optimum choices for use in diffuse glow discharge closing switches by virtue of the combined physio-electric properties of the mixture components.

  1. Chemical and topological short-range orders in the ternary Ni-Zr-Al metallic glasses studied by Monte Carlo simulations.

    PubMed

    Zhao, S Z; Li, J H; Liu, B X

    2013-03-01

    Based on the recently constructed Ni-Zr-Al n-body potential, Monte Carlo simulations are performed to study the glass formation and associated structural evolutions in the system. The micro-chemical inhomogeneity (MCI) parameter and Honeycutt and Anderson (HA) pair analysis are employed to investigate both the chemical short-range orders and topological short-range orders for the ternary Ni-Zr-Al metallic glasses. Results reveal that remarkable chemical short-range orders (CSROs) exist in the ternary Ni-Zr-Al metallic glasses and are strongly influenced by the chemical interactions among the constituent elements. Moreover, topological short-range orders are clearly formed in the ternary Ni-Zr-Al metallic glasses, with the most remarkable characteristic being the icosahedral local packing. Similarly to CSRO, the extent of icosahedral short-range orders formed in the Ni-Zr-Al system varies distinctly with the chemical composition. In addition, simulation results reveal that chemical short-range orders and topological short-range orders turn out to be influenced by different factors. Unlike CSRO, both chemical interactions and geometrical constraints play important roles in forming the topological short-range orders. PMID:23334440

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

    PubMed

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

    2013-06-01

    With growing interest in the photocatalytic performance of TiO2-graphene composite systems, the ternary phase of TiO2, graphene, and Ag is expected to exhibit improved photocatalytic characteristics because of the improved recombination rate of photogenerated charge carriers and potential contribution of the generation of localized surface plasmon resonance at Ag sites on a surface of the TiO2-graphene binary matrix. In this work, Ag-TiO2-reduced graphene oxide ternary nanocomposites were successfully synthesized by a simple solvothermal process. In a single-step synthetic procedure, the reduction of AgNO3 and graphene oxide and the hydrolysis of titanium tetraisopropoxide were spontaneously performed in a mixed solvent system of ethylene glycol, N,N-dimethylformamide and a stoichiometric amount of water without resorting to the use of typical reducing agents. The nanocomposites were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, along with different microscopic and spectroscopic techniques, enabling us to confirm the successful reduction of AgNO3 and graphite oxide to metallic Ag and reduced graphene oxide, respectively. Due to the highly facilitated electron transport of well distributed Ag nanoparticles, the synthesized ternary nanocomposite showed enhanced photocatalytic activity for degradation of rhodamine B dye under visible light irradiation. PMID:23640656

  3. A novel method based on selective laser sintering for preparing high-performance carbon fibres/polyamide12/epoxy ternary composites.

    PubMed

    Zhu, Wei; Yan, Chunze; Shi, Yunsong; Wen, Shifeng; Liu, Jie; Wei, Qingsong; Shi, Yusheng

    2016-09-21

    A novel method based on selective laser sintering (SLS) process is proposed for the first time to prepare complex and high-performance carbon fibres/polyamide12/epoxy (CF/PA12/EP) ternary composites. The procedures are briefly described as follows: prepare polyamide12 (PA12) coated carbon fibre (CF) composite powder; build porous green parts by SLS; infiltrate the green parts with high-performance thermosetting epoxy (EP) resin; and finally cure the resin at high temperature. The obtained composites are a ternary composite system consisting of the matrix of novolac EP resin, the reinforcement of CFs and the transition thin layer of PA12 with a thickness of 595 nm. The SEM images and micro-CT analysis prove that the ternary system is a three-dimensional co-continuous structure and the reinforcement of CFs are well dispersed in the matrix of EP with the volume fraction of 31%. Mechanical tests show that the composites fabricated by this method yield an ultimate tensile strength of 101.03 MPa and a flexural strength of 153.43 MPa, which are higher than those of most of the previously reported SLS materials. Therefore, the process proposed in this paper shows great potential for manufacturing complex, lightweight and high-performance CF reinforced composite components in aerospace, automotive industries and other areas.

  4. A novel method based on selective laser sintering for preparing high-performance carbon fibres/polyamide12/epoxy ternary composites

    PubMed Central

    Zhu, Wei; Yan, Chunze; Shi, Yunsong; Wen, Shifeng; Liu, Jie; Wei, Qingsong; Shi, Yusheng

    2016-01-01

    A novel method based on selective laser sintering (SLS) process is proposed for the first time to prepare complex and high-performance carbon fibres/polyamide12/epoxy (CF/PA12/EP) ternary composites. The procedures are briefly described as follows: prepare polyamide12 (PA12) coated carbon fibre (CF) composite powder; build porous green parts by SLS; infiltrate the green parts with high-performance thermosetting epoxy (EP) resin; and finally cure the resin at high temperature. The obtained composites are a ternary composite system consisting of the matrix of novolac EP resin, the reinforcement of CFs and the transition thin layer of PA12 with a thickness of 595 nm. The SEM images and micro-CT analysis prove that the ternary system is a three-dimensional co-continuous structure and the reinforcement of CFs are well dispersed in the matrix of EP with the volume fraction of 31%. Mechanical tests show that the composites fabricated by this method yield an ultimate tensile strength of 101.03 MPa and a flexural strength of 153.43 MPa, which are higher than those of most of the previously reported SLS materials. Therefore, the process proposed in this paper shows great potential for manufacturing complex, lightweight and high-performance CF reinforced composite components in aerospace, automotive industries and other areas. PMID:27650254

  5. A novel method based on selective laser sintering for preparing high-performance carbon fibres/polyamide12/epoxy ternary composites.

    PubMed

    Zhu, Wei; Yan, Chunze; Shi, Yunsong; Wen, Shifeng; Liu, Jie; Wei, Qingsong; Shi, Yusheng

    2016-01-01

    A novel method based on selective laser sintering (SLS) process is proposed for the first time to prepare complex and high-performance carbon fibres/polyamide12/epoxy (CF/PA12/EP) ternary composites. The procedures are briefly described as follows: prepare polyamide12 (PA12) coated carbon fibre (CF) composite powder; build porous green parts by SLS; infiltrate the green parts with high-performance thermosetting epoxy (EP) resin; and finally cure the resin at high temperature. The obtained composites are a ternary composite system consisting of the matrix of novolac EP resin, the reinforcement of CFs and the transition thin layer of PA12 with a thickness of 595 nm. The SEM images and micro-CT analysis prove that the ternary system is a three-dimensional co-continuous structure and the reinforcement of CFs are well dispersed in the matrix of EP with the volume fraction of 31%. Mechanical tests show that the composites fabricated by this method yield an ultimate tensile strength of 101.03 MPa and a flexural strength of 153.43 MPa, which are higher than those of most of the previously reported SLS materials. Therefore, the process proposed in this paper shows great potential for manufacturing complex, lightweight and high-performance CF reinforced composite components in aerospace, automotive industries and other areas. PMID:27650254

  6. A novel method based on selective laser sintering for preparing high-performance carbon fibres/polyamide12/epoxy ternary composites

    NASA Astrophysics Data System (ADS)

    Zhu, Wei; Yan, Chunze; Shi, Yunsong; Wen, Shifeng; Liu, Jie; Wei, Qingsong; Shi, Yusheng

    2016-09-01

    A novel method based on selective laser sintering (SLS) process is proposed for the first time to prepare complex and high-performance carbon fibres/polyamide12/epoxy (CF/PA12/EP) ternary composites. The procedures are briefly described as follows: prepare polyamide12 (PA12) coated carbon fibre (CF) composite powder; build porous green parts by SLS; infiltrate the green parts with high-performance thermosetting epoxy (EP) resin; and finally cure the resin at high temperature. The obtained composites are a ternary composite system consisting of the matrix of novolac EP resin, the reinforcement of CFs and the transition thin layer of PA12 with a thickness of 595 nm. The SEM images and micro-CT analysis prove that the ternary system is a three-dimensional co-continuous structure and the reinforcement of CFs are well dispersed in the matrix of EP with the volume fraction of 31%. Mechanical tests show that the composites fabricated by this method yield an ultimate tensile strength of 101.03 MPa and a flexural strength of 153.43 MPa, which are higher than those of most of the previously reported SLS materials. Therefore, the process proposed in this paper shows great potential for manufacturing complex, lightweight and high-performance CF reinforced composite components in aerospace, automotive industries and other areas.

  7. Identification of a non-covalent ternary complex formed by PIAS1, SUMO1, and UBC9 proteins involved in transcriptional regulation.

    PubMed

    Mascle, Xavier H; Lussier-Price, Mathieu; Cappadocia, Laurent; Estephan, Patricia; Raiola, Luca; Omichinski, James G; Aubry, Muriel

    2013-12-20

    Post-translational modifications with ubiquitin-like proteins require three sequentially acting enzymes (E1, E2, and E3) that must unambiguously recognize each other in a coordinated fashion to achieve their functions. Although a single E2 (UBC9) and few RING-type E3s (PIAS) operate in the SUMOylation system, the molecular determinants regulating the interactions between UBC9 and the RING-type E3 enzymes are still not well defined. In this study we use biochemical and functional experiments to characterize the interactions between PIAS1 and UBC9. Our results reveal that UBC9 and PIAS1 are engaged both in a canonical E2·E3 interaction as well as assembled into a previously unidentified non-covalent ternary complex with SUMO as evidenced by bioluminescence resonance energy transfer, nuclear magnetic resonance spectroscopy, and isothermal titration calorimetry studies. In this ternary complex, SUMO functions as a bridge by forming non-overlapping interfaces with UBC9 and PIAS1. Moreover, our data suggest that phosphorylation of serine residues adjacent to the PIAS1 SUMO-interacting motif favors formation of the non covalent PIAS1·SUMO·UBC9 ternary complex. Finally, our results also indicate that the non-covalent ternary complex is required for the known transcriptional repression activities mediated by UBC9 and SUMO1. Taken together, the data enhance our knowledge concerning the mode of interaction of enzymes of the SUMOylation machinery as well as their role in transcriptional regulation and establishes a framework for investigations of other ubiquitin-like protein systems. PMID:24174529

  8. Identification of a Non-covalent Ternary Complex Formed by PIAS1, SUMO1, and UBC9 Proteins Involved in Transcriptional Regulation*

    PubMed Central

    Mascle, Xavier H.; Lussier-Price, Mathieu; Cappadocia, Laurent; Estephan, Patricia; Raiola, Luca; Omichinski, James G.; Aubry, Muriel

    2013-01-01

    Post-translational modifications with ubiquitin-like proteins require three sequentially acting enzymes (E1, E2, and E3) that must unambiguously recognize each other in a coordinated fashion to achieve their functions. Although a single E2 (UBC9) and few RING-type E3s (PIAS) operate in the SUMOylation system, the molecular determinants regulating the interactions between UBC9 and the RING-type E3 enzymes are still not well defined. In this study we use biochemical and functional experiments to characterize the interactions between PIAS1 and UBC9. Our results reveal that UBC9 and PIAS1 are engaged both in a canonical E2·E3 interaction as well as assembled into a previously unidentified non-covalent ternary complex with SUMO as evidenced by bioluminescence resonance energy transfer, nuclear magnetic resonance spectroscopy, and isothermal titration calorimetry studies. In this ternary complex, SUMO functions as a bridge by forming non-overlapping interfaces with UBC9 and PIAS1. Moreover, our data suggest that phosphorylation of serine residues adjacent to the PIAS1 SUMO-interacting motif favors formation of the non covalent PIAS1·SUMO·UBC9 ternary complex. Finally, our results also indicate that the non-covalent ternary complex is required for the known transcriptional repression activities mediated by UBC9 and SUMO1. Taken together, the data enhance our knowledge concerning the mode of interaction of enzymes of the SUMOylation machinery as well as their role in transcriptional regulation and establishes a framework for investigations of other ubiquitin-like protein systems. PMID:24174529

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

    SciTech Connect

    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.

  10. Understanding the Impact of Hierarchical Nanostructure in Ternary Organic Solar Cells

    PubMed Central

    Fang, Jin; Wang, Zaiyu; Zhang, Yajie; Deng, Dan; Wang, Zhen; Lu, Kun

    2015-01-01

    Ternary organic solar cells (OSCs), which blend two donors and fullerene derivatives with different absorption ranges, are a promising potential strategy for high‐power conversion efficiencies (PCEs). In this study, inverted ternary OSCs are fabricated by blending a highly crystalline small molecule BDT‐3T‐CNCOO in a low band gap polymer PBDTTT‐C‐T:PC71BM. As the small molecule is introduced, the overall PCEs increase from 7.60% to 8.58%. The morphologies of ternary blends are studied by combining transmission electron microscopy and X‐ray scattering techniques at different length scales. Hierarchical phase separation is revealed in the ternary blend, which is composed of domains with sizes of ≈88, ≈50, and ≈20 nm, respectively. The hierarchical phase separation balances the charge separation and transport in ternary OSCs. As a result, the fill factors of the devices significantly improve from 58.4% to 71.6%. Thus, ternary blends show higher hole mobility and higher fill factor than binary blends, which demonstrates a facile strategy to increase the performance of OSCs. PMID:27722074

  11. Sputtered tungsten-based ternary and quaternary layers for nanocrystalline diamond deposition.

    PubMed

    Walock, Michael J; Rahil, Issam; Zou, Yujiao; Imhoff, Luc; Catledge, Shane A; Nouveau, Corinne; Stanishevsky, Andrei V

    2012-06-01

    Many of today's demanding applications require thin-film coatings with high hardness, toughness, and thermal stability. In many cases, coating thickness in the range 2-20 microm and low surface roughness are required. Diamond films meet many of the stated requirements, but their crystalline nature leads to a high surface roughness. Nanocrystalline diamond offers a smoother surface, but significant surface modification of the substrate is necessary for successful nanocrystalline diamond deposition and adhesion. A hybrid hard and tough material may be required for either the desired applications, or as a basis for nanocrystalline diamond film growth. One possibility is a composite system based on carbides or nitrides. Many binary carbides and nitrides offer one or more mentioned properties. By combining these binary compounds in a ternary or quaternary nanocrystalline system, we can tailor the material for a desired combination of properties. Here, we describe the results on the structural and mechanical properties of the coating systems composed of tungsten-chromium-carbide and/or nitride. These WC-Cr-(N) coatings are deposited using magnetron sputtering. The growth of adherent nanocrystalline diamond films by microwave plasma chemical vapor deposition has been demonstrated on these coatings. The WC-Cr-(N) and WC-Cr-(N)-NCD coatings are characterized with atomic force microscopy and SEM, X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, and nanoindentation. PMID:22905536

  12. Sputtered tungsten-based ternary and quaternary layers for nanocrystalline diamond deposition.

    PubMed

    Walock, Michael J; Rahil, Issam; Zou, Yujiao; Imhoff, Luc; Catledge, Shane A; Nouveau, Corinne; Stanishevsky, Andrei V

    2012-06-01

    Many of today's demanding applications require thin-film coatings with high hardness, toughness, and thermal stability. In many cases, coating thickness in the range 2-20 microm and low surface roughness are required. Diamond films meet many of the stated requirements, but their crystalline nature leads to a high surface roughness. Nanocrystalline diamond offers a smoother surface, but significant surface modification of the substrate is necessary for successful nanocrystalline diamond deposition and adhesion. A hybrid hard and tough material may be required for either the desired applications, or as a basis for nanocrystalline diamond film growth. One possibility is a composite system based on carbides or nitrides. Many binary carbides and nitrides offer one or more mentioned properties. By combining these binary compounds in a ternary or quaternary nanocrystalline system, we can tailor the material for a desired combination of properties. Here, we describe the results on the structural and mechanical properties of the coating systems composed of tungsten-chromium-carbide and/or nitride. These WC-Cr-(N) coatings are deposited using magnetron sputtering. The growth of adherent nanocrystalline diamond films by microwave plasma chemical vapor deposition has been demonstrated on these coatings. The WC-Cr-(N) and WC-Cr-(N)-NCD coatings are characterized with atomic force microscopy and SEM, X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, and nanoindentation.

  13. Electronic Structure and Phase Equilibria in Ternary Substitutional Alloys: a Tight-Binding Approach

    NASA Astrophysics Data System (ADS)

    Traiber, Ariel Javier Sebastian

    1995-01-01

    The goal of this thesis is to develop and apply alloy theory methods to transition metals and alloys (particularly ternary systems) based on the tight-binding (TB) model of atomic cohesion in studies of stability and phase equilibria. At least two factors make this kind of formalism desirable: it can bring a clear understanding of the underlying physical mechanisms that many times get obscured in first-principles calculations, and it is easily adapted to complex problems and multicomponent solutions, at low computational cost. The original physical insight given by the TB method is demonstrated by the study of the relation between the atomic local environment and the relative stability of simple phases, through the calculation of the moments of the electronic density of states. We show that the relative stability of phases related to the Bain transformation is mainly controlled by the moment of order five, and we have identified the main contributions to this moment. We present a model for cohesive energy based on the assumption that it can be written as the sum of a band -structure contribution and a repulsive short-range contribution. We have calculated the band contribution using a TB Hamiltonian with d states and applied the linearized Green's function method based on the recursion technique. For the repulsive part of the energy we employ a Born-Mayer potential. The model was used to study total energies for Mo. We show that a six-moment approximation to the band energy is sufficient to reproduce more accurate results, using the standard recursion method, for the energetics of this transition metal. We describe a reliable and consistent scheme to study phase equilibria in ternary substitutional alloys based on the TB approximation. The TB electronic parameters are obtained from linear muffin-tin orbital calculations. The transfer integrals are scaled in distance with an orbital -dependent exponential decay parametrization, while the on-site energies are scaled

  14. Reduced ternary molybdenum and tungsten sulfides and hydroprocessing catalysis therewith

    DOEpatents

    Hilsenbeck, S.J.; McCarley, R.E.; Schrader, G.L.; Xie, X.B.

    1999-02-16

    New amorphous molybdenum/tungsten sulfides with the general formula M{sup n+}{sub 2x/n}(L{sub 6}S{sub 8})S{sub x}, where L is molybdenum or tungsten and M is a ternary metal, has been developed. Characterization of these amorphous materials by chemical and spectroscopic methods (IR, Raman, PES) shows that the (M{sub 6}S{sub 8}){sup 0} cluster units are present. Vacuum thermolysis of the amorphous Na{sub 2x}(Mo{sub 6}S{sub 8})S{sub x}{hor_ellipsis}yMeOH first produces poorly crystalline NaMo{sub 6}S{sub 8} by disproportionation at 800 C and well-crystallized NaMo{sub 6}S{sub 8} at {>=} 900 C. Ion-exchange of the sodium material in methanol with soluble M{sup 2+} and M{sup 3+} salts (M=Sn, Co, Ni, Pb, La, Ho) produces the M{sup n+}{sub 2x/n}(Mo{sub 6}S{sub 8})S{sub x}{hor_ellipsis}yMeOH compounds. Additionally, the new reduced ternary molybdenum sulfides with the general formula M{sup n+}{sub 2x/n}Mo{sub 6}S{sub 8+x}(MeOH){sub y}[MMOS] (M=Sn, Co, Ni) is an effective hydrodesulfurization (HDS) catalyst both as-prepared and after a variety of pretreatment conditions. Under specified pretreatment conditions with flowing hydrogen gas, the SnMoS type catalyst can be stabilized, and while still amorphous, can be considered as ``Chevrel phase-like`` in that both contain Mo{sub 6}S{sub 8} cluster units. Furthermore, the small cation NiMoS and CoMoS type pretreated catalyst is shown to be very active HDS catalysts with rates that exceeded the model unpromoted and cobalt-promoted MoS{sub 2} catalysts. 9 figs.

  15. Reduced ternary molybdenum and tungsten sulfides and hydroprocessing catalysis therewith

    DOEpatents

    Hilsenbeck, Shane J.; McCarley, Robert E.; Schrader, Glenn L.; Xie, Xiaobing

    1999-02-16

    New amorphous molybdenum/tungsten sulfides with the general formula M.sup.n+.sub.2x/n (L.sub.6 S.sub.8)S.sub.x, where L is molybdenum or tungsten and M is a ternary metal, has been developed. Characterization of these amorphous materials by chemical and spectroscopic methods (IR, Raman, PES) shows that the (M.sub.6 S.sub.8).sup.0 cluster units are present. Vacuum thermolysis of the amorphous Na.sub.2x (Mo.sub.6 S.sub.8)S.sub.x .multidot.yMeOH first produces poorly crystalline NaMo.sub.6 S.sub.8 by disproportionation at 800.degree. C. and well-crystallized NaMo.sub.6 S.sub.8 at .gtoreq. 900.degree. C. Ion-exchange of the sodium material in methanol with soluble M.sup.2+ and M.sup.3+ salts (M=Sn, Co, Ni, Pb, La, Ho) produces the M.sup.n+.sub.2x/n (Mo.sub.6 S.sub.8)S.sub.x .multidot.yMeOH compounds. Additionally, the new reduced ternary molybdenum sulfides with the general formula M.sup.n+.sub.2x/n Mo.sub.6 S.sub.8+x (MeOH).sub.y ›MMOS! (M=Sn, Co, Ni) is an effective hydrodesulfurization (HDS) catalyst both as-prepared and after a variety of pretreatment conditions. Under specified pretreatment conditions with flowing hydrogen gas, the SnMoS type catalyst can be stabilized, and while still amorphous, can be considered as "Chevrel phase-like" in that both contain Mo.sub.6 S.sub.8 cluster units. Furthermore, the small cation NiMoS and CoMoS type pretreated catalyst showed to be very active HDS catalysts with rates that exceeded the model unpromoted and cobalt-promoted MoS.sub.2 catalysts.

  16. Dielectric behavior of ternary composites of epoxy/BaTiO{3}/(CuO or MgO)

    NASA Astrophysics Data System (ADS)

    Benhamouda, A.; Forniés-Marquina, J. M.; Bouzit, N.; Bourouba, N.

    2009-05-01

    The work we present in this article is an investigation of the optimal dielectric behaviour of a ternary composite based on a mixture of epoxy resin, titanates and oxides. Titanates are known by their capacity to provide high dielectric constant values that make their use very important in system of telecommunication, transmission microwaves, and in integrated circuit technology. A comparative study is established on two types of oxides added to titanates of either calcium, barium, or magnesium following different proportions. The protocol used to characterise different mixtures is the Time Domain Reflectometry (TDR). The acquired results show a good concordance between the experimental values of the ternary mixture dielectric constant and the theoretical models deduced from the Lichtenecker modified law. The copper oxide (CuO) is revealed to be more influential than the magnesium oxide (MgO) on the added titanate because of an insignificant dielectric behaviour that the latter presents. On the other hand, the linear behaviour of \\varepsilons appeared with a CuO concentration round about 15% in a RE.BT.CuO mixture. For a fixed barium titanate fraction (27%) this linear evolution is located between the upper and the lower limits derivative from direct and inverse Wiener laws.

  17. Review: Formation of Peptide Radical Ions Through Dissociative Electron Transfer in Ternary Metal-Ligand-Peptide Complexes

    SciTech Connect

    Chu, Ivan K.; Laskin, Julia

    2011-12-31

    The formation and fragmentation of odd-electron ions of peptides and proteins is of interest to applications in biological mass spectrometry. Gas-phase redox chemistry occurring during collision-induced dissociation of ternary metal-ligand-peptide complexes enables the formation of a variety of peptide radicals including the canonical radical cations, M{sup +{sm_bullet}}, radical dications, [M{sup +}H]{sup 2+{sm_bullet}}, radical anions, [M-2H]{sup -{sm_bullet}}. In addition, odd-electron peptide ions with well-defined initial location of the radical site are produced through side chain losses from the radical ions. Subsequent fragmentation of these species provides information on the role of charge and the location of the radical site on the competition between radical-induced and proton-driven fragmentation of odd-electron peptide ions. This account summarizes current understanding of the factors that control the efficiency of the intramolecular electron transfer (ET) in ternary metal-ligand-peptide complexes resulting in formation of odd-electron peptide ions. Specifically, we discuss the effect of the metal center, the ligand and the peptide structure on the competition between the ET, proton transfer (PT), and loss of neutral peptide and neutral peptide fragments from the complex. Fundamental studies of the structures, stabilities, and the energetics and dynamics of fragmentation of such complexes are also important for detailed molecular-level understanding of photosynthesis and respiration in biological systems.

  18. Unpinning the Open-Circuit Voltage in Organic Solar Cells through Tuning Ternary Blend Active Layer Morphology

    NASA Astrophysics Data System (ADS)

    Khlyabich, Petr; Thompson, Barry; Loo, Yueh-Lin

    2015-03-01

    The use of ternary, as opposed to binary, blends having complementary absorption in active layers of organic bulk heterojunction solar cells is a simple approach to increase overall light absorption. While the open-circuit voltage (Voc) of such solar cells have generally been shown to be pinned by the smallest energy level difference between the donor and acceptor constituents, there have been materials systems, that when incorporated into active layers of solar cells, exhibit composition dependent and tunable Voc. Herein, we demonstrate that this Voc tunability in ternary blend solar cells is correlated with the morphology of the active layer. Chemical compatibility between the constituents in the blend, as probed by grazing-incidence X-ray diffraction (GIXD) measurements, affords Voc tuning. The constituents need not ``co-crystallize'' limited miscibility between the constituents in the active layers of solar cells affords Voc tunability. Poor physical interactions between the constituent domains within the active layers, on the other hand, result in devices that exhibit an invariant Voc that is pinned by the smallest energy level difference between the donor(s) and the acceptor(s). Our morphological studies thus support the proposed alloying model that was put forth originally.

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

    SciTech Connect

    Klymenko, M. V.; Remacle, F.

    2014-10-28

    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.

  20. Formulation of ternary complexes of glyburide with hydroxypropyl-β-cyclodextrin and other solubilizing agents and their effect on release behavior of glyburide in aqueous and buffered media at different agitation speeds.

    PubMed

    Singh, Sachin Kumar; Srinivasan, K K; Singare, Dhananjay S; Gowthamarajan, K; Prakash, Dev

    2012-11-01

    Glyburide, a sulfonylurea derivative, widely used as hypoglycaemic agent. In the present study, an attempt has been made to investigate the most effective third component which can be used with hydroxylpropyl-β-cyclodextrin (HPβCd) to form a ternary complex with glyburide in order to enhance its dissolution rate, as well as reduce the amount of HPβCd used for formulating the binary complex with glyburide. Moreover, the objective of this study was also to develop a discriminatory dissolution media in order to discriminate the effect of the different solubilizing agents used for formulating the ternary complex system. Sodium lauryl sulphate, Poloxamer-188, Polyvinylpyrrolidone K-30, lactose and L-arginine were used to formulate ternary system along with HPβCd and glyburide. The ternary system formulated with glyburide:HPβCd:L-arginine in a proportion of 1:1:0.5 has shown the fastest dissolution rate when compared to other solubilizing agents. Unbuffered aqueous media with stirring speed 50 rpm has produced the most discriminatory dissolution profiles. The DSC thermograms and the powder X-ray analysis revealed the decrease in crystallinity of the drug. This was an indication of amorphous solid dispersion or molecular encapsulation of the drug into the cyclodextrin cavity. PMID:22283512

  1. Effect of phosphate on U(VI) sorption to montmorillonite: Ternary complexation and precipitation barriers

    NASA Astrophysics Data System (ADS)

    Troyer, Lyndsay D.; Maillot, Fabien; Wang, Zheming; Wang, Zimeng; Mehta, Vrajesh S.; Giammar, Daniel E.; Catalano, Jeffrey G.

    2016-02-01

    Phosphate addition is a potential treatment method to lower the solubility of U(VI) in soil and groundwater systems by causing U(VI) phosphate precipitation as well as enhancing adsorption. Previous work has shown that iron oxide surfaces may facilitate the nucleation of U(VI) phosphate minerals and, that under weakly acidic conditions, phosphate also enhances U(VI) adsorption to such phases. Like iron oxides, clays are important reactive phases in the subsurface but little is known about the interaction of U(VI) and phosphate with these minerals. The effect of aqueous phosphate on U(VI) binding to Wyoming montmorillonite (SWy-2) in air-equilibrated systems was investigated. Equilibrium U(VI) uptake to montmorillonite was determined at pH 4, 6 and 8 at discrete initial phosphate concentrations between 0 and 100 μM. The observed behavior of U(VI) indicates a transition from adsorption to precipitation with increasing total uranium and phosphate concentrations at all pH values. At the highest phosphate concentration examined at each pH value, a barrier to U(VI) phosphate nucleation is observed. At lower concentrations, phosphate has no effect on macroscopic U(VI) adsorption. To assess the mechanisms of U(VI)-phosphate interactions on smectite surfaces, U(VI) speciation was investigated under selected conditions using laser-induced fluorescence spectroscopy (LIFS) and extended X-ray absorption fine-structure (EXAFS) spectroscopy. Samples above the precipitation threshold display EXAFS and LIFS spectral signatures consistent with the autunite family of U(VI) phosphate minerals. However, at lower U(VI) concentrations, changes in LIFS spectra upon phosphate addition suggest that U(VI)-phosphate ternary surface complexes form on the montmorillonite surface at pH 4 and 6 despite the lack of a macroscopic effect on adsorption. The speciation of solid-associated U(VI) below the precipitation threshold at pH 8 is dominated by U(VI)-carbonate surface complexes. This work

  2. Rational Integration of Polypropylene/Graphene Oxide/Nafion as Ternary-Layered Separator to Retard the Shuttle of Polysulfides for Lithium-Sulfur Batteries.

    PubMed

    Zhuang, Ting-Zhou; Huang, Jia-Qi; Peng, Hong-Jie; He, Lian-Yuan; Cheng, Xin-Bing; Chen, Cheng-Meng; Zhang, Qiang

    2016-01-20

    The reversible electrochemical transformation from lithium (Li) and sulfur (S) into Li2 S through multielectron reactions can be utilized in secondary Li-S batteries with very high energy density. However, both the low Coulombic efficiency and severe capacity degradation limits the full utilization of active sulfur, which hinders the practical applications of Li-S battery system. The present study reports a ternary-layered separator with a macroporous polypropylene (PP) matrix layer, graphene oxide (GO) barrier layer, and Nafion retarding layer as the separator for Li-S batteries with high Coulombic efficiency and superior cyclic stability. In the ternary-layered separator, ultrathin layer of GO (0.0032 mg cm(-2) , estimated to be around 40 layers) blocks the macropores of PP matrix, and a dense ion selective Nafion layer with a very low loading amount of 0.05 mg cm(-2) is attached as a retarding layer to suppress the crossover of sulfur-containing species. The ternary-layered separators are effective in improving the initial capacity and the Coulombic efficiency of Li-S cells from 969 to 1057 mAh g(-1) , and from 80% to over 95% with an LiNO3 -free electrolyte, respectively. The capacity degradation is reduced from 0.34% to 0.18% per cycle within 200 cycles when the PP separator is replaced by the ternary-layered separators. This work provides the rational design strategy for multifunctional separators at cell scale to effective utilizing of active sulfur and retarding of polysulfides, which offers the possibility of high energy density Li-S cells with long cycling life. PMID:26641415

  3. Rational Integration of Polypropylene/Graphene Oxide/Nafion as Ternary-Layered Separator to Retard the Shuttle of Polysulfides for Lithium-Sulfur Batteries.

    PubMed

    Zhuang, Ting-Zhou; Huang, Jia-Qi; Peng, Hong-Jie; He, Lian-Yuan; Cheng, Xin-Bing; Chen, Cheng-Meng; Zhang, Qiang

    2016-01-20

    The reversible electrochemical transformation from lithium (Li) and sulfur (S) into Li2 S through multielectron reactions can be utilized in secondary Li-S batteries with very high energy density. However, both the low Coulombic efficiency and severe capacity degradation limits the full utilization of active sulfur, which hinders the practical applications of Li-S battery system. The present study reports a ternary-layered separator with a macroporous polypropylene (PP) matrix layer, graphene oxide (GO) barrier layer, and Nafion retarding layer as the separator for Li-S batteries with high Coulombic efficiency and superior cyclic stability. In the ternary-layered separator, ultrathin layer of GO (0.0032 mg cm(-2) , estimated to be around 40 layers) blocks the macropores of PP matrix, and a dense ion selective Nafion layer with a very low loading amount of 0.05 mg cm(-2) is attached as a retarding layer to suppress the crossover of sulfur-containing species. The ternary-layered separators are effective in improving the initial capacity and the Coulombic efficiency of Li-S cells from 969 to 1057 mAh g(-1) , and from 80% to over 95% with an LiNO3 -free electrolyte, respectively. The capacity degradation is reduced from 0.34% to 0.18% per cycle within 200 cycles when the PP separator is replaced by the ternary-layered separators. This work provides the rational design strategy for multifunctional separators at cell scale to effective utilizing of active sulfur and retarding of polysulfides, which offers the possibility of high energy density Li-S cells with long cycling life.

  4. Ternary Phase-Separation Investigation of Sol-Gel Derived Silica from Ethyl Silicate 40

    PubMed Central

    Wang, Shengnan; Wang, David K.; Smart, Simon; Diniz da Costa, João C.

    2015-01-01

    A ternary phase-separation investigation of the ethyl silicate 40 (ES40) sol-gel process was conducted using ethanol and water as the solvent and hydrolysing agent, respectively. This oligomeric silica precursor underwent various degrees of phase separation behaviour in solution during the sol-gel reactions as a function of temperature and H2O/Si ratios. The solution composition within the immiscible region of the ES40 phase-separated system shows that the hydrolysis and condensation reactions decreased with decreasing reaction temperature. A mesoporous structure was obtained at low temperature due to weak drying forces from slow solvent evaporation on one hand and formation of unreacted ES40 cages in the other, which reduced network shrinkage and produced larger pores. This was attributed to the concentration of the reactive sites around the phase-separated interface, which enhanced the condensation and crosslinking. Contrary to dense silica structures obtained from sol-gel reactions in the miscible region, higher microporosity was produced via a phase-separated sol-gel system by using high H2O/Si ratios. This tailoring process facilitated further condensation reactions and crosslinking of silica chains, which coupled with stiffening of the network, made it more resistant to compression and densification. PMID:26411484

  5. Ternary Sn-Ti-O based nanostructures as anodes for lithium ion batteries.

    PubMed

    Wang, Hongkang; Huang, He; Niu, Chunming; Rogach, Andrey L

    2015-03-25

    SnO(x) (x = 0, 1, 2) and TiO(2) are widely considered to be potential anode candidates for next generation lithium ion batteries. In terms of the lithium storage mechanisms, TiO(2) anodes operate on the base of the Li ion intercalation-deintercalation, and they typically display long cycling life and high rate capability, arising from the negligible cell volume change during the discharge-charge process, while their performance is limited by low specific capacity and low electronic conductivity. SnO(x) anodes rely on the alloying-dealloying reaction with Li ions, and typically exhibit large specific capacity but poor cycling performance, originating from the extremely large volume change and thus the resultant pulverization problems. Making use of their advantages and minimizing the disadvantages, numerous strategies have been developed in the recent years to design composite nanostructured Sn-Ti-O ternary systems. This Review aims to provide rational understanding on their design and the improvement of electrochemical properties of such systems, including SnO(x) -TiO(2) nanocomposites mixing at nanoscale and nanostructured Sn(x) Ti(1-x) O(2) solid solutions doped at the atomic level, as well as their combinations with carbon-based nanomaterials. PMID:25504364

  6. Ternary Phase-Separation Investigation of Sol-Gel Derived Silica from Ethyl Silicate 40

    NASA Astrophysics Data System (ADS)

    Wang, Shengnan; Wang, David K.; Smart, Simon; Diniz da Costa, João C.

    2015-09-01

    A ternary phase-separation investigation of the ethyl silicate 40 (ES40) sol-gel process was conducted using ethanol and water as the solvent and hydrolysing agent, respectively. This oligomeric silica precursor underwent various degrees of phase separation behaviour in solution during the sol-gel reactions as a function of temperature and H2O/Si ratios. The solution composition within the immiscible region of the ES40 phase-separated system shows that the hydrolysis and condensation reactions decreased with decreasing reaction temperature. A mesoporous structure was obtained at low temperature due to weak drying forces from slow solvent evaporation on one hand and formation of unreacted ES40 cages in the other, which reduced network shrinkage and produced larger pores. This was attributed to the concentration of the reactive sites around the phase-separated interface, which enhanced the condensation and crosslinking. Contrary to dense silica structures obtained from sol-gel reactions in the miscible region, higher microporosity was produced via a phase-separated sol-gel system by using high H2O/Si ratios. This tailoring process facilitated further condensation reactions and crosslinking of silica chains, which coupled with stiffening of the network, made it more resistant to compression and densification.

  7. Zero-flux planes, flux reversals and diffusion paths in ternary and quaternary diffusion

    SciTech Connect

    Dayananda, M.A.

    1986-05-23

    During isothermal multicomponent diffusion, interdiffusion fluxes of individual components can go to zero at zero-flux planes (ZFP) and exhibit flux reversals from one side to the other of such planes. Interdiffusion fluxes as well as the locations and compositions of ZFPs for components are determined directly from the concentration profiles of diffusion couples without the need for prior knowledge of interdiffusion coefficients. The development and identification of ZFPs is reviewed with the aid of single phase and two-phase diffusion couples investigated in the Cu-Ni-Zn system at 775/sup 0/C. ZFP locations in the diffusion zone nearly correspond to sections where the activity of a component is the same as its activity in either of the terminal alloys of a couple. Path slopes at ZFPs are uniquely dictated by the atomic mobility and thermodynamic data for the components. Discontinuous flux reversals for the components can also occur at interfaces in multiphase couples. Identification of ZFPs is also presented for diffusion in the Cu-Ni-Zn-Mn quaternary system. Analytical representation of diffusion paths for both ternary and quaternary diffusion couples is presented with the aid of characteristic path parameters.

  8. Ternary Phase-Separation Investigation of Sol-Gel Derived Silica from Ethyl Silicate 40.

    PubMed

    Wang, Shengnan; Wang, David K; Smart, Simon; da Costa, João C Diniz

    2015-01-01

    A ternary phase-separation investigation of the ethyl silicate 40 (ES40) sol-gel process was conducted using ethanol and water as the solvent and hydrolysing agent, respectively. This oligomeric silica precursor underwent various degrees of phase separation behaviour in solution during the sol-gel reactions as a function of temperature and H2O/Si ratios. The solution composition within the immiscible region of the ES40 phase-separated system shows that the hydrolysis and condensation reactions decreased with decreasing reaction temperature. A mesoporous structure was obtained at low temperature due to weak drying forces from slow solvent evaporation on one hand and formation of unreacted ES40 cages in the other, which reduced network shrinkage and produced larger pores. This was attributed to the concentration of the reactive sites around the phase-separated interface, which enhanced the condensation and crosslinking. Contrary to dense silica structures obtained from sol-gel reactions in the miscible region, higher microporosity was produced via a phase-separated sol-gel system by using high H2O/Si ratios. This tailoring process facilitated further condensation reactions and crosslinking of silica chains, which coupled with stiffening of the network, made it more resistant to compression and densification. PMID:26411484

  9. Ternary clathrates Ba Cd Ge: phase equilibria, crystal chemistry and physical properties

    NASA Astrophysics Data System (ADS)

    Melnychenko-Koblyuk, N.; Grytsiv, A.; Berger, St.; Kaldarar, H.; Michor, H.; Röhrbacher, F.; Royanian, E.; Bauer, E.; Rogl, P.; Schmid, H.; Giester, G.

    2007-01-01

    The present paper describes the formation, phase relations at subsolidus temperatures and at 800 °C, crystal chemistry and physical properties of a series of ternary clathrates as part of the solid solution {\\mathrm {Ba_{8}Cd}}_{x}\\mathrm {Ge}_{43-5x/8}\\square _{3-3x/8} , derived from binary {\\mathrm {Ba_{8}Ge_{43}}}\\square_{3} with a solubility limit of 8 Cd per formula unit at 800 °C. Structural investigations in all cases confirm cubic primitive symmetry with a lattice parameter aap1.1 nm, consistent with the space group type Pm{\\bar {3}}n . Both the temperature dependent x-ray spectra and the heat capacity define a low-lying, almost localized, phonon branch. Studies of transport properties show electrons to be the majority charge carriers in the systems. As the Cd content increases, the system is driven towards a metal-to-insulator transition, causing \\mathrm {Ba_{8}Cd_{4.7}Ge_{40.3}}\\square_{1.0} , for example, to show metallic behaviour at low temperatures while at high temperatures semiconducting features become obvious. A model based on a gap of the electronic density of states slightly above the Fermi energy perfectly explains such a scenario. Thermal conductivity exhibits a pronounced low temperature maximum, dominated by the lattice contribution, while at higher temperatures the electronic part becomes more important.

  10. C.A.D. representation of ternary and quaternary phase diagrams

    NASA Technical Reports Server (NTRS)

    Delao, James D.

    1986-01-01

    This work is concerned with the utilization of C.A.D. solid-modeling software for the computer representation of three-dimensional phase diagrams. The work was undertaken in two parts. First, the C.A.D. software (I-DEAS, by Structural Dynamics Research Corp.) was integrated with a variety of auxiliary Fortran 77 and I-DEAS language programs which were written specifically for the purpose of phase diagram representation. The capabilities of the resulting suite of software for three-dimensional phase diagram representation were developed and illustrated by the construction, display and manipulation of solid-model phase diagrams for a hypothetical quaternary eutectic system. The results of this work are discussed in some detail in the attached publication ('Solid-modeling: a C.A.D. Alternative for Three-dimensional Phase Diagram Representation'). Such a technique is of general applicability, having utility in both research and education. Secondly, using the C.A.D. technique, data from the literature (gleaned from some 70 separate publications), which represent experimentally determined phase boundaries, were combined to form solid-model representations of the CMS2-M2S-S ternary space diagram and the CMS2-CAS2-M2S-S quaternary liquidus projection (where C=CaO, M=MgO, A=Al2O3, and S=SiO2). These diagrams were utilized in a concurrent study of solidification in the CMAS system.

  11. Spontaneous Formation of Eutectic Crystal Structures in Binary and Ternary Charged Colloids due to Depletion Attraction

    PubMed Central

    Toyotama, Akiko; Okuzono, Tohru; Yamanaka, Junpei

    2016-01-01

    Crystallization of colloids has extensively been studied for past few decades as models to study phase transition in general. Recently, complex crystal structures in multi-component colloids, including alloy and eutectic structures, have attracted considerable attention. However, the fabrication of 2D area-filling colloidal eutectics has not been reported till date. Here, we report formation of eutectic structures in binary and ternary aqueous colloids due to depletion attraction. We used charged particles + linear polyelectrolyte systems, in which the interparticle interaction could be represented as a sum of the electrostatic, depletion, and van der Waals forces. The interaction was tunable at a lengthscale accessible to direct observation by optical microscopy. The eutectic structures were formed because of interplay of crystallization of constituent components and accompanying fractionation. An observed binary phase diagram, defined by a mixing ratio and inverse area fraction of the particles, was analogous to that for atomic and molecular eutectic systems. This new method also allows the adjustment of both the number and wavelengths of Bragg diffraction peaks. Furthermore, these eutectic structures could be immobilized in polymer gel to produce self-standing materials. The present findings will be useful in the design of the optical properties of colloidal crystals. PMID:26984298

  12. Spontaneous Formation of Eutectic Crystal Structures in Binary and Ternary Charged Colloids due to Depletion Attraction

    NASA Astrophysics Data System (ADS)

    Toyotama, Akiko; Okuzono, Tohru; Yamanaka, Junpei

    2016-03-01

    Crystallization of colloids has extensively been studied for past few decades as models to study phase transition in general. Recently, complex crystal structures in multi-component colloids, including alloy and eutectic structures, have attracted considerable attention. However, the fabrication of 2D area-filling colloidal eutectics has not been reported till date. Here, we report formation of eutectic structures in binary and ternary aqueous colloids due to depletion attraction. We used charged particles + linear polyelectrolyte systems, in which the interparticle interaction could be represented as a sum of the electrostatic, depletion, and van der Waals forces. The interaction was tunable at a lengthscale accessible to direct observation by optical microscopy. The eutectic structures were formed because of interplay of crystallization of constituent components and accompanying fractionation. An observed binary phase diagram, defined by a mixing ratio and inverse area fraction of the particles, was analogous to that for atomic and molecular eutectic systems. This new method also allows the adjustment of both the number and wavelengths of Bragg diffraction peaks. Furthermore, these eutectic structures could be immobilized in polymer gel to produce self-standing materials. The present findings will be useful in the design of the optical properties of colloidal crystals.

  13. Internal oxidation of laminated ternary Ru-Ta-Zr coatings

    NASA Astrophysics Data System (ADS)

    Chen, Yung-I.; Lu, Tso-Shen

    2015-10-01

    Researchers have observed the internal oxidation phenomenon in binary alloy coatings when developing refractory alloy coatings for protective purposes by conducting annealing at high temperatures and in oxygen-containing atmospheres. The coatings were assembled using cyclical gradient concentration deposition during cosputtering by employing a substrate holder rotating at a slow speed. The internally oxidized zone demonstrated a laminated structure, comprising alternating oxygen-rich and oxygen-deficient layers stacked in a general orientation. In the current study, Ru-Ta-Zr coatings were prepared with various stacking sequences during cosputtering. The Ru-Ta-Zr coatings were annealed at 600 °C in an atmosphere continuously purged with 1% O2-99% Ar mixed gas for 30 min. A transmission electron microscope was used to examine the periods of the laminated layers and crystallinity of the annealed coatings. Depth profiles produced using an Auger electron spectroscope and X-ray photoelectron spectroscope were used to certify the periodic variation of the related constituents and chemical states of the elements, respectively. The results indicate that the internally oxidized ternary coatings are stacked of Ru-, Ta2O5-, and ZrO2-dominant sublayers and that the stacking sequences of the sublayers affect the crystalline structure of the coatings. Zr is oxidized preferentially in the Ru-Ta-Zr coatings, increasing the surface hardness of the oxidized coatings.

  14. Host Atom Diffusion in Ternary Fe-Cr-Al Alloys

    NASA Astrophysics Data System (ADS)

    Rohrberg, Diana; Spitzer, Karl-Heinz; Dörrer, Lars; Kulińska, Anna J.; Borchardt, Günter; Fraczkiewicz, Anna; Markus, Torsten; Jacobs, Michael H. G.; Schmid-Fetzer, Rainer

    2014-01-01

    In the Fe-rich corner of the Fe-Cr-Al ternary phase diagram, both interdiffusion experiments [1048 K to 1573 K (775 °C to 1300 °C)] and 58Fe tracer diffusion experiments [873 K to 1123 K (600 °C to 850 °C)] were performed along the Fe50Cr50-Fe50Al50 section. For the evaluation of the interdiffusion data, a theoretical model was used which directly yields the individual self-diffusion coefficients of the three constituents and the shift of the original interface of the diffusion couple through inverse modeling. The driving chemical potential gradients were derived using a phenomenological Gibbs energy function which was based on thoroughly assessed thermodynamic data. From the comparison of the individual self-diffusivities of Fe as obtained from interdiffusion profiles and independent 58Fe tracer diffusivities, the influence of the B2-A2 order-disorder transition becomes obvious, resulting in a slightly higher activation enthalpy for the bcc-B2 phase and a significantly lower activation entropy for this phase.

  15. Monte Carlo studies of ordering in nitride ternary alloys

    NASA Astrophysics Data System (ADS)

    Łopuszyński, Michał; Majewski, Jacek A.

    2013-12-01

    We present exemplary results of extensive theoretical studies that shed light on the longstanding problem of composition fluctuations in nitride alloys. We analyze short- and long-range ordering (SRO and LRO on the zinc-blende cationic sublattice in bulk nitride ternary alloys, GaxIn1-xN, AlxIn1-xN, and AlxGa1-xN. This comprehensive analysis is based on Monte Carlo calculations within the NVT ensemble, covers the whole range of concentrations, and temperatures from 873 K up to 1673 K. It turns out that for In containing alloys (i.e., GaxIn1-xN and AlxIn1-xN), the considerable degree of SRO occurs as quantified by Warren-Cowley short-range order parameter. On the contrary, for AlxGa1-xN alloy, any kind of short-range order is negligible. Also, we do not observe any long range ordering for all three alloys studied.

  16. Ternary gas mixtures for high-voltage industrial insulation

    NASA Astrophysics Data System (ADS)

    Pace, M. O.; Chan, C. C.; Christophorou, L. G.

    1981-10-01

    Gas dielectrics for insulating power apparatus, e.g., gas insulated transmission lines (GITL), were evaluated. Particular attention was given to mixtures using large proportions of an electron moderating gas (viz., N2, CHF3, or 1,1,1-C2H3F3) and smaller quantities of two electron attaching gases: SF6 and one fluorocarbon (e.g., c-C4F8). The proportions were sought at which the three gases function best as a team, moderating free electrons from higher to lower energies and there attaching them. Small amounts of the electron attaching additives can drastically raise the dielectric strength of the moderator. Certain combinations of SF6 and fluorocarbons do not produce the undesirable spark by products associated with either SF6 or fluorocarbons alone and also show improved negative polarity impulse breakdown characteristics over pure SF6. Small scale breakdown measurements were made of various ternary mixtures in the GITL geometry. It was found that nitrogen moderates electrons to extremely low energies, where SF6 attaches; the dipolar gases moderate to somewhat higher energies, where some fluorocarbons attach best.

  17. Texture-Aware Dense Image Matching Using Ternary Census Transform

    NASA Astrophysics Data System (ADS)

    Hu, Han; Chen, Chongtai; Wu, Bo; Yang, Xiaoxia; Zhu, Qing; Ding, Yulin

    2016-06-01

    Textureless and geometric discontinuities are major problems in state-of-the-art dense image matching methods, as they can cause visually significant noise and the loss of sharp features. Binary census transform is one of the best matching cost methods but in textureless areas, where the intensity values are similar, it suffers from small random noises. Global optimization for disparity computation is inherently sensitive to parameter tuning in complex urban scenes, and must compromise between smoothness and discontinuities. The aim of this study is to provide a method to overcome these issues in dense image matching, by extending the industry proven Semi-Global Matching through 1) developing a ternary census transform, which takes three outputs in a single order comparison and encodes the results in two bits rather than one, and also 2) by using texture-information to self-tune the parameters, which both preserves sharp edges and enforces smoothness when necessary. Experimental results using various datasets from different platforms have shown that the visual qualities of the triangulated point clouds in urban areas can be largely improved by these proposed methods.

  18. Electrotransport-induced unmixing and decomposition of ternary oxides

    SciTech Connect

    Chun, Jakyu; Yoo, Han-Ill; Martin, Manfred

    2015-03-28

    A general expectation is that in a uniform oxygen activity atmosphere, cation electrotransport induces a ternary or higher oxide, e.g., AB{sub 1+ξ}O{sub 3+δ}, to kinetically unmix unless the electrochemical mobilities of, say, A{sup 2+}and B{sup 4+} cations are identically equal, and eventually to decompose into the component oxides AO and BO{sub 2} once the extent of unmixing exceeds the stability range of its nonmolecularity ξ. It has, however, earlier been reported [Yoo et al., Appl. Phys. Lett. 92, 252103 (2008)] that even a massive cation electrotransport induces BaTiO{sub 3} to neither unmix nor decompose even at a voltage far exceeding the so-called decomposition voltage U{sub d}, a measure of the standard formation free energy of the oxide (|ΔG{sub f}{sup o}| = nFU{sub d}). Here, we report that as expected, NiTiO{sub 3} unmixes at any voltage and even decomposes if the voltage applied exceeds seemingly a threshold value larger than U{sub d}. We demonstrate experimentally that the electrochemical mobilities of Ni{sup 2+} and Ti{sup 4+} should be necessarily unequal for unmixing. Also, we show theoretically that equal cation mobilities appear to be a sufficiency for BaTiO{sub 3} only for a thermodynamic reason.

  19. Ternary structure reveals mechanism of a membrane diacylglycerol kinase

    DOE PAGES

    Li, Dianfan; Stansfeld, Phillip J.; Sansom, Mark S. P.; Keogh, Aaron; Vogeley, Lutz; Howe, Nicole; Lyons, Joseph A.; Aragao, David; Fromme, Petra; Fromme, Raimund; et al

    2015-12-17

    Diacylglycerol kinase catalyses the ATP-dependent conversion of diacylglycerol to phosphatidic acid in the plasma membrane of Escherichia coli. The small size of this integral membrane trimer, which has 121 residues per subunit, means that available protein must be used economically to craft three catalytic and substrate-binding sites centred about the membrane/cytosol interface. How nature has accomplished this extraordinary feat is revealed here in a crystal structure of the kinase captured as a ternary complex with bound lipid substrate and an ATP analogue. Residues, identified as essential for activity by mutagenesis, decorate the active site and are rationalized by the ternarymore » structure. The γ-phosphate of the ATP analogue is positioned for direct transfer to the primary hydroxyl of the lipid whose acyl chain is in the membrane. A catalytic mechanism for this unique enzyme is proposed. As a result, the active site architecture shows clear evidence of having arisen by convergent evolution.« less

  20. Superparamagnetic-oil-filled nanocapsules of a ternary graft copolymer.

    PubMed

    Miao, Lei; Liu, Feng; Lin, Shudong; Hu, Jiwen; Liu, Guojun; Yang, Yang; Tu, Yuanyuan; Hou, Chengmin; Li, Fei; Hu, Meilong; Luo, Hongsheng

    2014-04-15

    Stearic and oleic acid-coated Fe3O4 nanoparticles were dispersed in decahydronaphthalene (DN). This oil phase was dispersed in water using ternary graft copolymer poly(glycidyl methacrylate)-graft-[polystyrene-ran-(methoxy polyethylene glycol)-ran-poly(2-cinnamoyloxyethyl methacrylate)] or PGMA-g-(PS-r-MPEG-r-PCEMA) to yield capsules. The walls of these capsules were composed of PCEMA chains that were soluble in neither water nor DN, and the DN-soluble PS chains stretched into the droplet phase and the water-soluble MPEG chains extended into the aqueous phase. Structurally stable capsules were prepared by photolyzing the capsules with UV light to cross-link the PCEMA layer. Both the magnetite particles and the magnetite-containing capsules were superparamagnetic. The sizes of the capsules increased as they were loaded with more magnetite nanoparticles, reaching a maximal loading of ~0.5 mg of ligated magnetite nanoparticles per mg of copolymer. But the radii of the capsules were always <100 nm. Thus, a novel nanomaterial--superparamagnetic-oil-filled polymer nanocapsules--was prepared. The more heavily loaded capsules were readily captured by a magnet and could be redispersed via shaking. Although the cross-linked capsules survived this capturing and redispersing treatment many times, the un-cross-linked capsules ruptured after four cycles. These results suggest the potential to tailor-make capsules with tunable wall stability for magnetically controlled release applications. PMID:24684287

  1. Diverse lattice dynamics in ternary Cu-Sb-Se compounds

    PubMed Central

    Qiu, Wujie; Wu, Lihua; Ke, Xuezhi; Yang, Jihui; Zhang, Wenqing

    2015-01-01

    Searching and designing materials with extremely low lattice thermal conductivity (LTC) has attracted considerable attention in material sciences. Here we systematically demonstrate the diverse lattice dynamics of the ternary Cu-Sb-Se compounds due to the different chemical-bond environments. For Cu3SbSe4 and CuSbSe2, the chemical bond strength is nearly equally distributed in crystalline bulk, and all the atoms are constrained to be around their equilibrium positions. Their thermal transport behaviors are well interpreted by the perturbative phonon-phonon interactions. While for Cu3SbSe3 with obvious chemical-bond hierarchy, one type of atoms is weakly bonded with surrounding atoms, which leads the structure to the part-crystalline state. The part-crystalline state makes a great contribution to the reduction of thermal conductivity that can only be effectively described by including a rattling-like scattering process in addition to the perturbative method. Current results may inspire new approaches to designing materials with low lattice thermal conductivities for high-performance thermoelectric conversion and thermal barrier coatings. PMID:26328765

  2. Ternary superlattice boosting interface-stabilized magnetic chirality

    SciTech Connect

    Chen, Gong; Schmid, Andreas K.; N'Diaye, Alpha T.; Wu, Yizheng

    2015-02-09

    In cobalt-nickel multilayers grown on iridium surfaces, magnetic homo-chirality can be stabilized by Dzyaloshinskii-Moriya interactions (DMI) at the interface with the substrate. When thickness of the multilayers is increased beyond threshold values, then non-chiral bulk properties exceed interface contributions and this type of chirality vanishes. Here, we use spin-polarized low energy electron microscopy to measure these thickness thresholds, and we determine estimates of the strength of the DMI from the measurements. Even though the same 5d heavy metal is used as a substrate, a remarkably large variation is found between the two 3d magnets: our results indicate that the strength of the DMI at Co/Ir interfaces is three times larger than at Ni/Ir interfaces. We show how this finding provides ways to extend interfacial-DMI stabilization of domain wall chirality to 3d/5d/3d ternary multilayers such as [Ni/Ir/Co]{sub n}. Such strategies may extend chirality-control to larger film thickness and a wider range of substrates, which may be useful for designing new spintronics devices.

  3. Measurements on thermodiffusion in ternary hydrocarbon mixtures at high pressure.

    PubMed

    Srinivasan, S; Saghir, M Z

    2009-09-28

    Experimental investigations on thermodiffusion have been conducted for five different ternary mixtures of methane, n-butane, and n-dodecane at a high temperature and pressure. While the mole fraction of methane was fixed at 0.2 the mole fraction of n-dodecane was varied from 0.7 to 0.2. The experiments were performed in a microgravity environment on board the satellite FOTON-M3. It was found that in all mixtures, n-dodecane separated to the cold side whereas methane segregated to the hot side. n-butane, the species with an intermediate density, showed a change in sign as its mole fraction was increased. At low concentrations it collected on the cold side but moved in the opposite direction with an increase in its mole fraction. The role of the relative density coupled with the species concentrations has been used to explain the thermodiffusion factor in each mixture. Computational investigations showed a similar behavior. However, the theoretical model was not able to capture the sign change of n-butane accurately. The inadequate representation of the significance of the relative densities and the mole fraction of the species has been found as the reason for this. PMID:19791895

  4. Ternary Phase Diagrams that Relate to the Plutonium Immobilization Ceramic

    SciTech Connect

    Ebbinghaus, B b; Krikorian, O H; Vance, E R; Stewart, M W

    2001-01-01

    The plutonium immobilization ceramic consists primarily of a pyrochlore titanate phase of the approximate composition Ca{sub 0.97}Hf{sub 0.17}Pu{sub 0.22}U{sub 0.39}Gd{sub 0.24} Ti{sub 2}O{sub 7}. In this study, a series of ternary phase diagrams was constructed to evaluate the relationship of various titanate phases (e.g., brannerite, zirconolite-2M, zirconolite-4M, and perovskite) to pyrochlore titanates, usually in the presence of excess TiO{sub 2} (rutile), and at temperatures in the vicinity of 1350 C. To facilitate the studies, U, Th, and Ce were used as surrogates for Pu in a number of the phase diagrams in addition to the use of Pu itself. The effects of impurity oxides, Al{sub 2}O{sub 3} and MgO, were also studied on pyrochlore (Gd{sub 2}Ti{sub 2}O{sub 7}) and zirconolite (CaHfTi{sub 2}O{sub 7}) mixtures. Either electron microprobe (at Lawrence Livermore National Laboratory) or quantitative SEM-EDS (at Australian Nuclear Science and Technology Organization) were used to evaluate the compositions of the phases.

  5. Ternary H2SO4-H2O-NH3 neutral and charged nucleation rates for a wide range of atmospheric conditions

    NASA Astrophysics Data System (ADS)

    Kürten, Andreas; Bianchi, Federico; Almeida, Joao; Duplissy, Jonathan; Dunne, Eimear M.; Breitenlechner, Martin; Praplan, Arnaud P.; Ortega, Ismael K.; Kupiainen, Oona; Rondo, Linda; Ehrhart, Sebastian; Kirkby, Jasper; Curtius, Joachim; Cloud Collaboration

    2013-05-01

    The formation of new particles for the ternary system involving sulfuric acid, water vapor and ammonia has been studied in detail. The nucleation rates were obtained from experiments at the CERN CLOUD chamber which allows the measurement of new particle formation under very well defined conditions. Some of its key features are the suppression of contaminants at the technological limit and a very precise control of a wide range of temperatures, trace gas concentrations and nucleation rates. The effect of ionizing radiation on the ternary nucleation rates was investigated by using the CERN proton synchrotron beam (beam conditions), natural galactic cosmic rays (gcr conditions) as well as the high voltage clearing field inside the chamber to suppress the effect of charges (neutral conditions). The dependence of the nucleation rate on ion concentration, sulfuric acid and ammonia concentration as well as temperature was studied extensively. This way, an unprecedented set of data was collected giving insight into the role of neutral and charged ternary NH3 nucleation and the relative importance of the different parameters.

  6. Stability and crystal chemistry of the ternary borides M2(Ni21-xMx)B6 (M tbnd Ti, Zr, Hf)

    NASA Astrophysics Data System (ADS)

    Artini, C.; Provino, A.; Valenza, F.; Pani, M.; Cacciamani, G.

    2016-01-01

    A crystallochemical study was undertaken to investigate the structural stability and the compositional extent of the ternary borides M2(Ni21-xMx)B6 (M tbnd Ti, Zr, Hf). This phase often occurs during the production of MB2 joints by means of Ni-B brazing alloys. Samples with the nominal compositions M2Ni21B6 and M3Ni20B6 were synthesized by arc melting and characterized by optical and electron microscopy, and X-ray diffraction. Crystal structure refinements were performed by the Rietveld method. The compositional boundaries of the ternary phases were experimentally determined and found strictly related to the M/Ni size ratio. The stability of this structure is mainly determined by the capability of the structure to expand under the effect of the Ni substitution by the M atom. The CALPHAD modeling of the three M-Ni-B ternary systems in the Ni-rich corner of the phase diagram, performed on the basis of the obtained structural data, shows a good agreement with experimental results.

  7. Ternary Blend Composed of Two Organic Donors and One Acceptor for Active Layer of High-Performance Organic Solar Cells.

    PubMed

    Lee, Jong Won; Choi, Yoon Suk; Ahn, Hyungju; Jo, Won Ho

    2016-05-01

    Ternary blends composed of two donor absorbers with complementary absorptions provide an opportunity to enhance the short-circuit current and thus the power conversion efficiency (PCE) of organic solar cells. In addition to complementary absorption of two donors, ternary blends may exhibit favorable morphology for high-performance solar cells when one chooses properly the donor pair. For this purpose, we develop a ternary blend with two donors (diketopyrrolopyrrole-based polymer (PTDPP2T) and small molecule ((TDPP)2Ph)) and one acceptor (PC71BM). The solar cell made of a ternary blend with 10 wt % (TDPP)2Ph exhibits higher PCE of 7.49% as compared with the solar cells with binary blends, PTDPP2T:PC71BM (6.58%) and (TDPP)2Ph:PC71BM (3.21%). The higher PCE of the ternary blend solar cell is attributed mainly to complementary absorption of two donors. However, a further increase in (TDPP)2Ph content in the ternary blend (>10 wt %) decreases the PCE. The ternary blend with 10 wt % (TDPP)2Ph exhibits well-developed morphology with narrow-sized fibrils while the blend with 15 wt % (TDPP)2Ph shows phase separation with large-sized domains, demonstrating that the phase morphology and compatibility of ternary blend are important factors to achieve a high-performance solar cell made of ternary blends.

  8. Truncated octahedral platinum-nickel-iridium ternary electro-catalyst for oxygen reduction reaction

    NASA Astrophysics Data System (ADS)

    Yang, Tao; Cao, Guojian; Huang, Qingli; Ma, Yanxia; Wan, Sheng; Zhao, Hong; Li, Na; Yin, Fujun; Sun, Xia; Zhang, Dongen; Wang, Mingyan

    2015-09-01

    In present work, truncated octahedral Pt-Ni-Ir ternary nanoparticles with an average size of 10 nm and a Pt/Ni/Ir atomic ratio of 55/29/16 are synthesized through a facile method. Structural measurements show that the nanoparticles are surface Ni-scarce Pt-Ni-Ir ternary nanostructures. The mass activity and specific activity of the ternary catalyst are 511 mA mg-1 (Pt) and 1.03 mA cm-2 at 0.9 V (vs. reversible hydrogen electrode, RHE), respectively, which are nearly 4.8 and 6.0 times larger than that of the commercial Pt/C catalyst (106 mA mg-1 and 0.17 mA cm-2). After duration test of 10,000 cycles at the potential range from 0.6 to 1.0 V, the ternary catalyst preserved 66% and 73% of its initial mass activity and specific activity, respectively, which are 9 and 7.6 times that of the commercial Pt/C catalyst (37.2 mA mg-1 and 0.0998 mA cm-2, respectively) after the same durability examination. The dramatic enhancement of Pt-Ni-Ir ternary catalyst can be attributed to its morphology, composition and nanostructure. Our research suggests that Pt-Ni-Ir ternary catalyst could be an excellent candidate for ORR. Our investigation might also spur increasing attention to tailoring morphology and composition of ternary or multi-metallic nanostructure with high electro-catalytic performance.

  9. Identification of Phase Boundaries and Electrical Properties in Ternary Potassium-Sodium Niobate-Based Ceramics.

    PubMed

    Lv, Xiang; Wu, Jiagang; Yang, Shuang; Xiao, Dingquan; Zhu, Jianguo

    2016-07-27

    A large piezoelectric constant (d33) of ∼480 pC/N was attained in new ternary (1-x-y)K0.5Na0.5Nb0.96Sb0.04O3-xBaSnO3-yBi0.5Na0.5ZrO3 ceramics by forming rhombohedral-orthorhombic-tetragonal (R-O-T) phase boundary using the variations of x and y, and such a phase boundary was successfully confirmed by the convergent beam electron diffraction (CBED) patterns. For (1-x)K0.5Na0.5Nb0.96Sb0.04O3-xBaSnO3, the orthorhombic (O) phase is well-maintained for 0 ≤ x ≤ 0.015, and both the R and T phases can be introduced to (0.99-y)K0.5Na0.5Nb0.96Sb0.04O3-0.01BaSnO3-yBi0.5Na0.5ZrO3 with y = 0.025-0.04 by simultaneously tailoring their compositions (x and y); then, R-O-T multiphases can be well-established. The CBED patterns strongly support the existence of R-O-T multiphases in the ceramics with y = 0.035. When the phase transitions endure from O to R-O-T, their piezoelectric activity endures a leapfrog development from ∼165 to ∼480 pC/N. In the region of the R-O-T phase boundary, a large d33 of ∼480 pC/N was attained in the ceramics with x = 0.01 and y = 0.035. In addition, the ceramics with x = 0.01 and y = 0.04 possess a high strain of ∼0.274% due to the multiphases coexistence. According to the variations of dielectric and ferroelectric properties, the enhancement in εr and Pr plays a part in the improved d33 except for the R-O-T phase boundary. We believe that the (K, Na)NbO3 ternary systems can be used to promote piezoelectric activity by forming new phase boundaries. PMID:27404481

  10. A Spinodal Decomposition Model for the Prediction of the Glass-Forming Ability of Ternary Mg Alloys

    NASA Astrophysics Data System (ADS)

    Eshed, Eyal; Bamberger, Menachem; Katsman, Alexander

    2016-01-01

    The glass-forming ability (GFA) of two alloy systems, Mg-Y-La and Mg-Zn-Nd, was investigated using thermal and microstructural analysis. Rapid solidification was found to lead to microstructural refinement and partial amorphization of the most investigated alloys. The addition of Cu to the Mg-Y-La group was found to increase its tendency to undergo amorphization during rapid solidification, exemplified by the Mg86Y9.5Cu2.5La2 alloy exhibiting a pronounced crystallization peak in the differential scanning calorimetry trace. Two Mg-Zn-Nd alloys, Mg71Zn28Nd and Mg73.6Zn22.1Nd4.3, were found to exhibit significant amorphous behavior, with the former alloy being more amorphous than the latter. An innovative model predicting the GFA of alloys based on spinodal-like decomposition of supercooled alloys is formulated herein. New generalized thermo-kinetic criteria for spinodal decomposition of ternary alloys for time/space-correlated fluctuations were formulated. The time-dependent amplification factor of concentration fluctuations in ternary systems was found to provide adequate GFA evaluation for the compositions of both alloy systems: Mg-Y-La and Mg-Zn-Nd. The model was able to pinpoint the most amorphous alloy in each alloy system, and comparison between both systems pointed to Mg71Zn28Nd as having the best GFA, while also recognizing that it has a lower GFA than the widely known and highly glass-formable Mg65Cu25Y10 alloy. This model is expected to predict the GFA of any envisaged composition, thereby avoiding cumbersome trials.

  11. Comparative study of the physicochemical properties of aqueous solutions of the hydrocarbon and fluorocarbon surfactants and their ternary mixtures

    NASA Astrophysics Data System (ADS)

    Szymczyk, Katarzyna

    2014-03-01

    Speed of sound and density of aqueous solutions of hydrocarbon p-(1,1,3,3-tetramethylbutyl) phenoxypoly(ethyleneglycols) (Triton X-100 (TX100), Triton X-165 (TX165)) and fluorocarbon (Zonyl FSN-100 (FSN100), Zonyl FSO-100 (FSO100)) surfactants as well as their ternary mixtures were measured at 293 K. Taking into account these values and the literature data of the surface tension and viscosity of the studied systems, the values of the isentropic compressibility, apparent specific adiabatic compressibility, hydration number, apparent specific volume and Jones Dole's A and B-coefficients were determined. For the systems containing FSO100 also the values of dB/dT were determined on the basis of the values of viscosity measured at different temperatures. Next, the calculated thermodynamic properties have been discussed in the term of intermolecular interactions between the components of the mixtures.

  12. Liquid-liquid phase separation of freely falling undercooled ternary Fe-Cu-Sn alloy.

    PubMed

    Wang, W L; Wu, Y H; Li, L H; Zhai, W; Zhang, X M; Wei, B

    2015-01-01

    The active modulation and control of the liquid phase separation for high-temperature metallic systems are still challenging the development of advanced immiscible alloys. Here we present an attempt to manipulate the dynamic process of liquid-liquid phase separation for ternary Fe47.5Cu47.5Sn5 alloy. It was firstly dispersed into numerous droplets with 66 ~ 810 μm diameters and then highly undercooled and rapidly solidified under the containerless microgravity condition inside drop tube. 3-D phase field simulation was performed to explore the kinetic evolution of liquid phase separation. Through regulating the combined effects of undercooling level, phase separation time and Marangoni migration, three types of separation patterns were yielded: monotectic cell, core shell and dispersive structures. The two-layer core-shell morphology proved to be the most stable separation configuration owing to its lowest chemical potential. Whereas the monotectic cell and dispersive microstructures were both thermodynamically metastable transition states because of their highly active energy. The Sn solute partition profiles of Fe-rich core and Cu-rich shell in core-shell structures varied only slightly with cooling rate. PMID:26552711

  13. Liquid-liquid phase separation of freely falling undercooled ternary Fe-Cu-Sn alloy

    NASA Astrophysics Data System (ADS)

    Wang, W. L.; Wu, Y. H.; Li, L. H.; Zhai, W.; Zhang, X. M.; Wei, B.

    2015-11-01

    The active modulation and control of the liquid phase separation for high-temperature metallic systems are still challenging the development of advanced immiscible alloys. Here we present an attempt to manipulate the dynamic process of liquid-liquid phase separation for ternary Fe47.5Cu47.5Sn5 alloy. It was firstly dispersed into numerous droplets with 66 ~ 810 μm diameters and then highly undercooled and rapidly solidified under the containerless microgravity condition inside drop tube. 3-D phase field simulation was performed to explore the kinetic evolution of liquid phase separation. Through regulating the combined effects of undercooling level, phase separation time and Marangoni migration, three types of separation patterns were yielded: monotectic cell, core shell and dispersive structures. The two-layer core-shell morphology proved to be the most stable separation configuration owing to its lowest chemical potential. Whereas the monotectic cell and dispersive microstructures were both thermodynamically metastable transition states because of their highly active energy. The Sn solute partition profiles of Fe-rich core and Cu-rich shell in core-shell structures varied only slightly with cooling rate.

  14. Dispersion of nonresonant third-order nonlinearities in GeSiSn ternary alloys

    NASA Astrophysics Data System (ADS)

    de Leonardis, Francesco; Troia, Benedetto; Soref, Richard A.; Passaro, Vittorio M. N.

    2016-09-01

    Silicon (Si), tin (Sn), and germanium (Ge) alloys have attracted research attention as direct band gap semiconductors with applications in electronics and optoelectronics. In particular, GeSn field effect transistors can exhibit very high performance in terms of power reduction and operating speed because of the high electron drift mobility, while the SiGeSn system can be constructed using CMOS-compatible techniques to realize lasers, LED, and photodetectors. The wide Si, Ge and Sn transparencies allow the use of binary and ternary alloys extended to mid-IR wavelengths, where nonlinearities can also be employed. However, neither theoretical or experimental predictions of nonlinear features in SiGeSn alloys are reported in the literature. For the first time, a rigorous and detailed physical investigation is presented to estimate the two photon absorption (TPA) coefficient and the Kerr refractive index for the SiGeSn alloy up to 12 μm. The TPA spectrum, the effective TPA wavelength cut-off, and the Kerr nonlinear refractive index have been determined as a function of alloy compositions. The promising results achieved can pave the way to the demonstration of on-chip nonlinear-based applications, including mid-IR spectrometer-on-a-chip, all-optical wavelength down/up-conversion, frequency comb generation, quantum-correlated photon-pair source generation and supercontinuum source creation, as well as Raman lasing.

  15. Liquid-liquid phase separation of freely falling undercooled ternary Fe-Cu-Sn alloy

    PubMed Central

    Wang, W .L.; Wu, Y. H.; Li, L. H.; Zhai, W.; Zhang, X. M.; Wei, B.

    2015-01-01

    The active modulation and control of the liquid phase separation for high-temperature metallic systems are still challenging the development of advanced immiscible alloys. Here we present an attempt to manipulate the dynamic process of liquid-liquid phase separation for ternary Fe47.5Cu47.5Sn5 alloy. It was firstly dispersed into numerous droplets with 66 ~ 810 μm diameters and then highly undercooled and rapidly solidified under the containerless microgravity condition inside drop tube. 3-D phase field simulation was performed to explore the kinetic evolution of liquid phase separation. Through regulating the combined effects of undercooling level, phase separation time and Marangoni migration, three types of separation patterns were yielded: monotectic cell, core shell and dispersive structures. The two-layer core-shell morphology proved to be the most stable separation configuration owing to its lowest chemical potential. Whereas the monotectic cell and dispersive microstructures were both thermodynamically metastable transition states because of their highly active energy. The Sn solute partition profiles of Fe-rich core and Cu-rich shell in core-shell structures varied only slightly with cooling rate. PMID:26552711

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

    NASA Astrophysics Data System (ADS)

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

    2012-11-01

    A ternary Ho-Al-Co system with high glass-forming ability (GFA) was developed and fully glassy rods with diameters up to 1 cm can be produced for the best glass former of Ho55Al27.5Co17.5 alloy. The thermal stability and low-temperature magnetic properties of the Ho55Al27.5Co17.5 bulk metallic glass (BMG) were studied. The magnetic transition temperature of this alloy is ˜14 K as determined by the thermomagnetic measurement. Two indicators, i.e. isothermal magnetic entropy change (ΔSM) and the relative cooling power (RCP), were adopted to evaluate the magnetocaloric effect (MCE) of the alloy under a low magnetic field up to 2 T, which can be generated by permanent magnets. The values of |ΔSM| and RCP are 7.98 J kg-1 K-1 and 191.5 J kg-1, respectively. The Ho55Al27.5Co17.5 BMG with good MCE and high GFA provides an attractive candidate for magnetic refrigeration applications, like hydrogen liquefaction and storage.

  17. Solution Synchrotron X-ray Diffraction Reveals Structural Details of Lipid Domains in Ternary Mixtures

    SciTech Connect

    Yuan, J.; Kiss, A; Pramudya, Y; Nguyen, L; Hirst, L

    2009-01-01

    The influence of cholesterol on lipid bilayer structure is significant and the effect of cholesterol on lipid sorting and phase separation in lipid-raft-forming model membrane systems has been well investigated by microscopy methods on giant vesicles. An important consideration however is the influence of fluorescence illumination on the phase state of these lipids and this effect must be carefully minimized. In this paper, we show that synchrotron x-ray scattering on solution lipid mixtures is an effective alternative technique for the identification and characterization of the l o (liquid ordered) and l d (liquid disordered) phases. The high intensity of synchrotron x rays allows the observation of up to 5 orders of diffraction from the l o phase, whereas only two are clearly visible when the l d phase alone is present. This data can be collected in approximately 1 min/sample, allowing rapid generation of phase data. In this paper, we measure the lamellar spacing in both the liquid-ordered and liquid-disordered phases simultaneously, as a function of cholesterol concentration in two different ternary mixtures. We also observe evidence of a third gel-phaselike population at 10-12 mol % cholesterol and determine the thickness of the bilayer for this phase. Importantly we are able to look at phase coexistence in the membrane independent of photoeffects.

  18. Efficient hydrogen evolution catalysis using ternary pyrite-type cobalt phosphosulphide

    NASA Astrophysics Data System (ADS)

    Cabán-Acevedo, Miguel; Stone, Michael L.; Schmidt, J. R.; Thomas, Joseph G.; Ding, Qi; Chang, Hung-Chih; Tsai, Meng-Lin; He-Hau, Jr.; Jin, Song

    2015-12-01

    The scalable and sustainable production of hydrogen fuel through water splitting demands efficient and robust Earth-abundant catalysts for the hydrogen evolution reaction (HER). Building on promising metal compounds with high HER catalytic activity, such as pyrite structure cobalt disulphide (CoS2), and substituting non-metal elements to tune the hydrogen adsorption free energy could lead to further improvements in catalytic activity. Here we present a combined theoretical and experimental study to establish ternary pyrite-type cobalt phosphosulphide (CoPS) as a high-performance Earth-abundant catalyst for electrochemical and photoelectrochemical hydrogen production. Nanostructured CoPS electrodes achieved a geometrical catalytic current density of 10 mA cm-2 at overpotentials as low as 48 mV, with outstanding long-term operational stability. Integrated photocathodes of CoPS on n+-p-p+ silicon micropyramids achieved photocurrents up to 35 mA cm-2 at 0 V versus the reversible hydrogen electrode (RHE), onset photovoltages as high as 450 mV versus RHE, and the most efficient solar-driven hydrogen generation from Earth-abundant systems.

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

    NASA Astrophysics Data System (ADS)

    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.

  20. Microstructure and Corrosion Behavior of the Cu-Pd-X Ternary Alloys for Hydrogen Separation Membranes

    SciTech Connect

    O.N. Dogan; M.C. Gao; B.H. Howard

    2012-02-26

    CuPd alloys are among the most promising candidate materials for hydrogen separation membranes and membrane reactor applications due to their high hydrogen permeability and better sulfur resistance. In order to reduce the Pd content and, therefore, the cost of the membrane materials, efforts have been initiated to develop CuPdM ternary alloys having a bcc structure. The advantages of having Pd as a hydrogen separation membrane are: (1) high hydrogen selectivity; and (2) high hydrogen permeability. The disadvantages are: (1) high cost; (2) hydrogen embrittlement ({alpha} {yields} {beta} Pd hydride); and (3) sulfur poisoning. Experiments (XRD, SEM/EDS) verified that Mg, Al, La, Y and Ti are promising alloying elements to expand the B2 phase region in Cu-Pd binary system. HT-XRD showed that the B2 to FCC transition temperatures for Cu-Pd-X (X = Mg, Al, La, Y and Ti) are higher than that of Cu-Pd binary alloys. While the Cu-50Pd alloy had the highest corrosion resistance to the H2S containing syngas, the Cu-Pd-Mg alloy had a comparable resistance.

  1. Dispersion of nonresonant third-order nonlinearities in GeSiSn ternary alloys

    PubMed Central

    De Leonardis, Francesco; Troia, Benedetto; Soref, Richard A.; Passaro, Vittorio M. N.

    2016-01-01

    Silicon (Si), tin (Sn), and germanium (Ge) alloys have attracted research attention as direct band gap semiconductors with applications in electronics and optoelectronics. In particular, GeSn field effect transistors can exhibit very high performance in terms of power reduction and operating speed because of the high electron drift mobility, while the SiGeSn system can be constructed using CMOS-compatible techniques to realize lasers, LED, and photodetectors. The wide Si, Ge and Sn transparencies allow the use of binary and ternary alloys extended to mid-IR wavelengths, where nonlinearities can also be employed. However, neither theoretical or experimental predictions of nonlinear features in SiGeSn alloys are reported in the literature. For the first time, a rigorous and detailed physical investigation is presented to estimate the two photon absorption (TPA) coefficient and the Kerr refractive index for the SiGeSn alloy up to 12 μm. The TPA spectrum, the effective TPA wavelength cut-off, and the Kerr nonlinear refractive index have been determined as a function of alloy compositions. The promising results achieved can pave the way to the demonstration of on-chip nonlinear-based applications, including mid-IR spectrometer-on-a-chip, all-optical wavelength down/up-conversion, frequency comb generation, quantum-correlated photon-pair source generation and supercontinuum source creation, as well as Raman lasing. PMID:27622979

  2. Influence of volatile chlorides on the molten salt synthesis of ternary oxide nanorods and nanoparticles.

    PubMed

    Rørvik, Per Martin; Lyngdal, Tone; Saeterli, Ragnhild; van Helvoort, Antonius T J; Holmestad, Randi; Grande, Tor; Einarsrud, Mari-Ann

    2008-04-21

    A molten salt synthesis route, previously reported to yield BaTiO3, PbTiO3, and Na2Ti6O13 nanorods, has been re-examined to elucidate the role of volatile chlorides. A precursor mixture containing barium (or lead) and titanium was annealed in the presence of NaCl at 760 or 820 degrees C. The main products were respectively isometric nanocrystalline BaTiO3 and PbTiO3. Nanorods were also detected, but electron diffraction revealed that the composition of the nanorods was respectively BaTi2O5/BaTi5O11 and Na2Ti6O13 for the two different systems, in contradiction to the previous studies. It was shown that NaCl reacted with BaO (PbO) resulting in loss of volatile BaCl2 (PbCl2) and formation and preferential growth of titanium oxide-rich nanorods instead of the target phase BaTiO3 (or PbTiO3). The molten salt synthesis route may therefore not necessarily yield nanorods of the target ternary oxide as reported previously. In addition, the importance of NaCl(g) for the growth of nanorods below the melting point of NaCl was demonstrated in a special experimental setup, where NaCl and the precursors were physically separated.

  3. Liquid-liquid phase separation of freely falling undercooled ternary Fe-Cu-Sn alloy.

    PubMed

    Wang, W L; Wu, Y H; Li, L H; Zhai, W; Zhang, X M; Wei, B

    2015-01-01

    The active modulation and control of the liquid phase separation for high-temperature metallic systems are still challenging the development of advanced immiscible alloys. Here we present an attempt to manipulate the dynamic process of liquid-liquid phase separation for ternary Fe47.5Cu47.5Sn5 alloy. It was firstly dispersed into numerous droplets with 66 ~ 810 μm diameters and then highly undercooled and rapidly solidified under the containerless microgravity condition inside drop tube. 3-D phase field simulation was performed to explore the kinetic evolution of liquid phase separation. Through regulating the combined effects of undercooling level, phase separation time and Marangoni migration, three types of separation patterns were yielded: monotectic cell, core shell and dispersive structures. The two-layer core-shell morphology proved to be the most stable separation configuration owing to its lowest chemical potential. Whereas the monotectic cell and dispersive microstructures were both thermodynamically metastable transition states because of their highly active energy. The Sn solute partition profiles of Fe-rich core and Cu-rich shell in core-shell structures varied only slightly with cooling rate.

  4. Spectroscopic identification of binary and ternary surface complexes of Np(V) on gibbsite.

    PubMed

    Gückel, Katharina; Rossberg, André; Müller, Katharina; Brendler, Vinzenz; Bernhard, Gert; Foerstendorf, Harald

    2013-12-17

    For the first time, detailed molecular information on the Np(V) sorption species on amorphous Al(OH)3 and crystalline gibbsite was obtained by in situ time-resolved Attenuated Total Reflection Fourier-Transform Infrared (ATR FT-IR) and Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. The results consistently demonstrate the formation of mononuclear inner sphere complexes of the NpO2(+) ion irrespective of the prevailing atmospheric condition. The impact of the presence of atmospheric equivalent added carbonate on the speciation in solution and on the surfaces becomes evident from vibrational data. While the 1:1 aqueous carbonato species (NpO2CO3(-)) was found to become predominant in the circumneutral pH range, it is most likely that this species is sorbed onto the gibbsite surface as a ternary inner sphere surface complex where the NpO2(+) moiety is directly coordinated to the functional groups of the gibbsite's surface. These findings are corroborated by results obtained from EXAFS spectroscopy providing further evidence for a bidentate coordination of the Np(V) ion on amorphous Al(OH)3. The identification of the Np(V) surface species on gibbsite constitutes a basic finding for a comprehensive description of the dissemination of neptunium in groundwater systems.

  5. Solution synchrotron x-ray diffraction reveals structural details of lipid domains in ternary mixtures

    NASA Astrophysics Data System (ADS)

    Yuan, Jing; Kiss, Alexander; Pramudya, Yohanes H.; Nguyen, Lam T.; Hirst, Linda S.

    2009-03-01

    The influence of cholesterol on lipid bilayer structure is significant and the effect of cholesterol on lipid sorting and phase separation in lipid-raft-forming model membrane systems has been well investigated by microscopy methods on giant vesicles. An important consideration however is the influence of fluorescence illumination on the phase state of these lipids and this effect must be carefully minimized. In this paper, we show that synchrotron x-ray scattering on solution lipid mixtures is an effective alternative technique for the identification and characterization of the lo (liquid ordered) and ld (liquid disordered) phases. The high intensity of synchrotron x rays allows the observation of up to 5 orders of diffraction from the lo phase, whereas only two are clearly visible when the ld phase alone is present. This data can be collected in ˜1min/sample , allowing rapid generation of phase data. In this paper, we measure the lamellar spacing in both the liquid-ordered and liquid-disordered phases simultaneously, as a function of cholesterol concentration in two different ternary mixtures. We also observe evidence of a third gel-phaselike population at 10-12mol% cholesterol and determine the thickness of the bilayer for this phase. Importantly we are able to look at phase coexistence in the membrane independent of photoeffects.

  6. Dispersion of nonresonant third-order nonlinearities in GeSiSn ternary alloys.

    PubMed

    De Leonardis, Francesco; Troia, Benedetto; Soref, Richard A; Passaro, Vittorio M N

    2016-01-01

    Silicon (Si), tin (Sn), and germanium (Ge) alloys have attracted research attention as direct band gap semiconductors with applications in electronics and optoelectronics. In particular, GeSn field effect transistors can exhibit very high performance in terms of power reduction and operating speed because of the high electron drift mobility, while the SiGeSn system can be constructed using CMOS-compatible techniques to realize lasers, LED, and photodetectors. The wide Si, Ge and Sn transparencies allow the use of binary and ternary alloys extended to mid-IR wavelengths, where nonlinearities can also be employed. However, neither theoretical or experimental predictions of nonlinear features in SiGeSn alloys are reported in the literature. For the first time, a rigorous and detailed physical investigation is presented to estimate the two photon absorption (TPA) coefficient and the Kerr refractive index for the SiGeSn alloy up to 12 μm. The TPA spectrum, the effective TPA wavelength cut-off, and the Kerr nonlinear refractive index have been determined as a function of alloy compositions. The promising results achieved can pave the way to the demonstration of on-chip nonlinear-based applications, including mid-IR spectrometer-on-a-chip, all-optical wavelength down/up-conversion, frequency comb generation, quantum-correlated photon-pair source generation and supercontinuum source creation, as well as Raman lasing. PMID:27622979

  7. Long-range structural correlations in amorphous ternary In-based oxides

    NASA Astrophysics Data System (ADS)

    Khanal, Rabi; Medvedeva, Julia

    2015-03-01

    In recent years, there is an increasing shift towards the use of oxide semiconductor materials in their amorphous form owing to several technological advantages and the fact that amorphous oxides exhibit similar or even superior properties than their crystalline counterparts. In this work we have systemically investigated the effect of chemical composition and oxygen stoichiometry on the local and long-range structure of ternary amorphous oxides, namely In-X-O with X =Sn, Zn, Ga, Cd, Ge, Sc, Y, or La, by means of ab-initio molecular dynamics. The results reveal that the local MO structure remains nearly intact upon amorphization and exhibit weak dependence on the composition. In marked contrast, the structural characteristics of the metal-metal shell, namely, the M-M distances and M-O-M angles that determine how MO polyhedra are connected into a network, are affected by the presence of X. Complex interplay between several factors such as the cation ionic size, metal-oxygen bond strength, as well as the natural preference for edge, corner, or face-sharing between the MO polyhedra, leads to a correlated behavior in the long-range structure. These findings highlight the mechanisms of the amorphous structure formation as well as the species of the carrier transport in these oxides.

  8. An initial study of binary and ternary Ti-based alloys manufactured using Laser Engineered Net Shaping (LENS(TM))

    NASA Astrophysics Data System (ADS)

    Gray, Alyn M.

    In this study an initial assessment of the composition -- microstructure -- property relationships in binary and ternary Ti -- based systems are made possible using LENS(TM) technology. Laser Engineering Net Shaping (LENS(TM)), a rapid prototyping, directed laser deposition methodology of additive manufacturing (AM) was used to create bulk homogenous specimens that are compositionally graded. Compositionally graded specimens were made possible by incorporating elemental blends of powder during the LENS(TM) process. While there have been numerous studies assessing the influence of common elements (e.g., V, Mo, Al, and Cr) on the resulting microstructure in titanium alloys, other elements have been neglected. A systematic study of the Ti -- Fe -- Al ternary system based upon varying compositions of the eutectoid former, Fe with Al to stabilize the alpha and beta phases respectively has also been neglected. This research effort focuses on exploiting the LENS(TM) process by rapidly assessing the composition -- microstructure -- property relationships in a combinatorial approach for the Ti -- W, Ti -- Fe, and Ti -- Fe -- Al systems. Compositionally graded specimens of Ti -- xW (0< x<40wt.%(14.79at.%)), Ti -- xFe (0< x<35wt.%(36.37at.%)), and Ti -- xFe -- yAl (0system.

  9. Engineering the Morphology and Configuration of Ternary Heterostructures for Improving Their Photocatalytic Activity.

    PubMed

    Li, Kui; Chen, Rong; Li, Shun-Li; Xie, Shuai-Lei; Cao, Xue-Li; Dong, Long-Zhang; Bao, Jian-Chun; Lan, Ya-Qian

    2016-02-01

    Heteronanomaterials composed of suitable semiconductors enable the direct conversion from solar power into clean and renewable energy. Ternary heterostructures with appropriate configuration and morphology possess rich and varied properties, especially for improving the photocatalytic activity and stability synchronously. However, suitable ternary heterostructure prototypes and facile while effective strategy for modulating their morphology and configuration are still scarce. Herein, various ternary ZnS-CdS-Zn(1-x)Cd(x)S heterostructures with tunable morphology (0 to 2 D) and semiconductor configurations (randomly distributed, interface mediated, and quantum dots sensitized core@shell heterostructures) were facilely synthesized via one-pot hydrothermal method resulting from the different molecular structures of the amine solvents. Semiconductor morphology, especially configuration of the ternary heterostructure, shows dramatic effect on their photocatalytic activity. The CdS sensitized porous Zn(1-x)CdxS@ZnS core@shell takes full advantage of ZnS, Zn(1-x)Cd(x)S and CdS and shows the maximal photocatalytic H2-production rate of 100.2 mmol/h/g and excellent stability over 30 h. This study provides some guidelines for the design and synthesis of high-performance ternary heterostructure via modulation of semiconductor configuration and morphology using one-pot method.

  10. Assessment of ternary iron-cyclodextrin-2-naphthol complexes using NMR and fluorescence spectroscopies

    NASA Astrophysics Data System (ADS)

    Zheng, Weixi; Tarr, Matthew A.

    2006-12-01

    Recent research has indicated that ternary complexes can be formed among carboxymethyl-β-cyclodextrin, certain polycyclic aromatic hydrocarbons (PAHs) (e.g. anthracene and 2-naphthol), and Fe 2+ in aqueous solution. The formation of these ternary complexes has been suggested as the reason for improved reaction efficiency in iron catalyzed Fenton degradation (H 2O 2 + Fe 2+ → rad OH + OH - + Fe 3+) of PAHs and other pollutants. In the present work, several other cyclodextrins were examined to determine their ability to form similar ternary complexes with 2-naphthol and Fe 2+. Fluorescence and NMR techniques were employed in this study. Results showed that hydroxypropyl-β-cyclodextrin, β-cyclodextrin, and α-cyclodextrin were able to encapsulate 2-naphthol molecules, but their binding with Fe 2+ was weak. On the contrary, sulfated-β-cyclodextrin has significant binding with Fe 2+, but it showed little inclusion of 2-naphthol molecules. Consequently, none of these four cyclodextrins formed significant amounts of ternary complexes in aqueous solution. The techniques used in this study provide useful methods for assessing the ability of cyclodextrins to form ternary complexes with guest compounds and metal ions.

  11. Assessment of ternary iron-cyclodextrin-2-naphthol complexes using NMR and fluorescence spectroscopies.

    PubMed

    Zheng, Weixi; Tarr, Matthew A

    2006-12-01

    Recent research has indicated that ternary complexes can be formed among carboxymethyl-beta-cyclodextrin, certain polycyclic aromatic hydrocarbons (PAHs) (e.g. anthracene and 2-naphthol), and Fe(2+) in aqueous solution. The formation of these ternary complexes has been suggested as the reason for improved reaction efficiency in iron catalyzed Fenton degradation (H(2)O(2)+Fe(2+)-->*OH+OH(-)+Fe(3+)) of PAHs and other pollutants. In the present work, several other cyclodextrins were examined to determine their ability to form similar ternary complexes with 2-naphthol and Fe(2+). Fluorescence and NMR techniques were employed in this study. Results showed that hydroxypropyl-beta-cyclodextrin, beta-cyclodextrin, and alpha-cyclodextrin were able to encapsulate 2-naphthol molecules, but their binding with Fe(2+) was weak. On the contrary, sulfated-beta-cyclodextrin has significant binding with Fe(2+), but it showed little inclusion of 2-naphthol molecules. Consequently, none of these four cyclodextrins formed significant amounts of ternary complexes in aqueous solution. The techniques used in this study provide useful methods for assessing the ability of cyclodextrins to form ternary complexes with guest compounds and metal ions.

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

    SciTech Connect

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

    2007-12-01

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

  13. Description of true and delayed ternary nuclear fission accompanied by the emission of various third particles

    SciTech Connect

    Kadmensky, S. G. Kadmensky, S. S.; Lyubashevsky, D. E.

    2010-08-15

    The mechanisms and the features of the main types of nuclear ternary fission (that is, true ternary fission, in which a third particle is emitted before the rupture of the fissioning nucleus into fragments, and delayed ternary fission, in which a third particle is emitted from fission fragments going apart) are investigated within quantum-mechanical fission theory. The features of T-odd asymmetry in true ternary nuclear fission induced by cold polarized neutrons are investigated for the cases where alpha particles, prescission neutrons, and photons appear as third particles emitted by fissioning nuclei, the Coriolis interaction of the spin of the polarized fissioning nucleus with the spin of the third particle and the interference between the fission amplitudes for neutron resonances excited in the fissioning nucleus in the case of projectile-neutron capture being taken into account. For the cases where third particles emitted by fission fragments are evaporated neutrons or photons, T-odd asymmetries in delayed ternary nuclear fission induced by cold polarized neutrons are analyzed with allowance for the mechanism of pumping of large fission-fragment spins oriented orthogonally to the fragment-emission direction and with allowance for the interference between the fission amplitudes for neutron resonances.

  14. Mechanical properties, anisotropy and hardness of group IVA ternary spinel nitrides

    NASA Astrophysics Data System (ADS)

    Ding, Ying-Chun; Chen, Min

    2013-10-01

    In this work, new ternary cubic spinel structures are designed by the substitutional method. The structures, elasticity properties, intrinsic hardness and Debye temperature of the cubic ternary spinel nitrides are studied by first principles based on the density-functional theory. The results show that γ-CSn2N4, γ-SiC2N4, γ-GeC2N4 and γ-SnC2N4 are not mechanically stable. The elastic constants Cij of these cubic spinel structures are obtained using the stress-strain method. Derived elastic constants, such as bulk modulus, shear modulus, Young's modulus, Poisson coefficient and brittle/ductile behaviour are estimated using Voigt-Reuss-Hill theories. The B/G value, the Poisson's ratio and anisotropic factor are calculated for eight ternary stable crystals. Based on the microscopic hardness model, we further estimate the Vickers hardness of all the stable crystals. From the calculated hardness of the stable group IVA ternary spinel nitrides by Gao's and Jiang's methods, it is observed that the stable group IVA ternary spinel nitrides are not superhard materials except for γ-CSi2N4. Furthermore, the Debye temperature for the eight stable crystals is also estimated.

  15. Optical, Thermal Studies on Binary and Ternary Hydrogen-Bonded Liquid Crystal Complexes

    NASA Astrophysics Data System (ADS)

    Mahalingam, T.; Venkatachalam, T.; Jayaprakasam, R.; Vijayakumar, V. N.

    2016-06-01

    Hydrogen-bonded ferroelectric liquid crystalline (HBFLC) complexes are synthesized from binary mixtures of l-(+)-tartaric acid with 4-dodecyloxybenzoic acid and cholesteryl acetate. A ternary complex has been obtained from l-(+)-tartaric acid, 4-dodecyloxybenzoic acid, and cholesteryl acetate. Fourier transform infrared spectroscopy (FTIR) studies confirm the formation of an intermolecular hydrogen bond in the binary as well as the ternary complex. The l-(+)-tartaric acid does not show any mesomorphic behavior, but the hydrogen-bonded binary and ternary complexes are exhibiting the nematic phase along with tilted smectic phases. Phase transition properties of HBFLC mixtures have been investigated by means of differential scanning calorimetry (DSC) and polarizing optical microscope (POM). The DSC and POM clearly reveal the existence of nematic and smectic phases in the HBFLC mixtures. The optical tilt angle of binary and ternary mixtures for smectic C* phase and thermal stability factors of the mesogenic phases have been discussed. The noteworthy observation is that there is a significant reduction of phase transition temperatures with enhanced phase width, lowering melting temperature, and clearing point in the HBFLC ternary complex.

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

    SciTech Connect

    Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias; Stocks, Malcolm; Caro, Alfredo

    2015-08-26

    The aim of our 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. 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. Finally, 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.

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

    DOE PAGES

    Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias; Stocks, Malcolm; Caro, Alfredo

    2015-08-26

    The aim of our 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. 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 formore » 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. Finally, 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.« less

  18. Engineering the Morphology and Configuration of Ternary Heterostructures for Improving Their Photocatalytic Activity.

    PubMed

    Li, Kui; Chen, Rong; Li, Shun-Li; Xie, Shuai-Lei; Cao, Xue-Li; Dong, Long-Zhang; Bao, Jian-Chun; Lan, Ya-Qian

    2016-02-01

    Heteronanomaterials composed of suitable semiconductors enable the direct conversion from solar power into clean and renewable energy. Ternary heterostructures with appropriate configuration and morphology possess rich and varied properties, especially for improving the photocatalytic activity and stability synchronously. However, suitable ternary heterostructure prototypes and facile while effective strategy for modulating their morphology and configuration are still scarce. Herein, various ternary ZnS-CdS-Zn(1-x)Cd(x)S heterostructures with tunable morphology (0 to 2 D) and semiconductor configurations (randomly distributed, interface mediated, and quantum dots sensitized core@shell heterostructures) were facilely synthesized via one-pot hydrothermal method resulting from the different molecular structures of the amine solvents. Semiconductor morphology, especially configuration of the ternary heterostructure, shows dramatic effect on their photocatalytic activity. The CdS sensitized porous Zn(1-x)CdxS@ZnS core@shell takes full advantage of ZnS, Zn(1-x)Cd(x)S and CdS and shows the maximal photocatalytic H2-production rate of 100.2 mmol/h/g and excellent stability over 30 h. This study provides some guidelines for the design and synthesis of high-performance ternary heterostructure via modulation of semiconductor configuration and morphology using one-pot method. PMID:26835705

  19. 34Si accompanied ternary fission of 242Cm in equatorial and collinear configuration

    NASA Astrophysics Data System (ADS)

    Santhosh, K. P.; Krishnan, Sreejith; Priyanka, B.

    2014-11-01

    Taking the interacting potential as the sum of Coulomb and proximity potential, 34Si accompanied cold ternary fission of 242Cm has been studied with fragments in the equatorial and collinear configuration. The cold valley plots (plot of driving potential versus mass number of fragments) and the calculations on the yields for the charge minimized fragments have been used to obtain the favorable fragment combinations. Thus, our study on the 34Si accompanied ternary fission of 242Cm reveals the role of near doubly magic shell closures (of 130Sn, 132Te, 134Te, etc.) in cold ternary fission. The comparison of relative yield reveals that in 34Si accompanied ternary fission of 242Cm, collinear configuration is preferred than the equatorial configuration. The relative yield for binary exit channel is found to be higher than that of ternary fragmentation (both equatorial and collinear configuration). The predicted yield for the binary fragmentation of 4He and 34Si from 242Cm are in agreement with the experimental data.

  20. G protein activation by G protein coupled receptors: ternary complex formation or catalyzed reaction?

    PubMed

    Roberts, David J; Waelbroeck, Magali

    2004-09-01

    G protein coupled receptors catalyze the GDP/GTP exchange on G proteins, thereby activating them. The ternary complex model, designed to describe agonist binding in the absence of GTP, is often extended to G protein activation. This is logically unsatisfactory as the ternary complex does not accumulate when G proteins are activated by GTP. Extended models taking into account nucleotide binding exist, but fail to explain catalytic G protein activation. This review puts forward an enzymatic model of G protein activation and compares its predictions with the ternary complex model and with observed receptor phenomenon. This alternative model does not merely provide a new set of formulae but leads to a new philosophical outlook and more readily accommodates experimental observations. The ternary complex model implies that, HRG being responsible for efficient G protein activation, it should be as stable as possible. In contrast, the enzyme model suggests that although a limited stabilization of HRG facilitates GDP release, HRG should not be "too stable" as this might trap the G protein in an inactive state and actually hinder G protein activation. The two models also differ completely in the definition of the receptor "active state": the ternary complex model implies that the active state corresponds to a single active receptor conformation (HRG); in contrast, the catalytic model predicts that the active receptor state is mobile, switching smoothly through various conformations with high and low affinities for agonists (HR, HRG, HRGGDP, HRGGTP, etc.).