Predicted trends of core-shell preferences for 132 late transition-metal binary-alloy nanoparticles.

PubMed

Wang, Lin-Lin; Johnson, Duane D

2009-10-07

Transition-metal alloyed nanoparticles with core-shell features (shell enrichment by one of the metals) are becoming ubiquitous, from (electro-)catalysis to biomedical applications, due to their size control, performance, biocompatibility, and cost. We investigate 132 binary-alloyed nanoparticle systems (groups 8 to 11 in the Periodic Table) using density functional theory (DFT) and systematically explore their segregation energies to determine core-shell preferences. We find that core-shell preferences are generally described by two independent factors: (1) cohesive energy (related to vapor pressure) and (2) atomic size (quantified by the Wigner-Seitz radius), and the interplay between them. These independent factors are shown to provide general trends for the surface segregation preference for atoms in nanoparticles, as well as semi-infinite surfaces, and give a simple correlation (a "design map") for the alloying and catalytic behavior. Finally, we provide a universal description of core-shell preference via tight-binding theory (band-energy differences) that (i) quantitatively reproduces the DFT segregation energies and (ii) confirms the electronic origins and correlations for core-shell behavior.

Determination of Thermodynamic Properties of Alkaline Earth-liquid Metal Alloys Using the Electromotive Force Technique

PubMed Central

Nigl, Thomas P.; Smith, Nathan D.; Lichtenstein, Timothy; Gesualdi, Jarrod; Kumar, Kuldeep; Kim, Hojong

2017-01-01

A novel electrochemical cell based on a CaF2 solid-state electrolyte has been developed to measure the electromotive force (emf) of binary alkaline earth-liquid metal alloys as functions of both composition and temperature in order to acquire thermodynamic data. The cell consists of a chemically stable solid-state CaF2-AF2 electrolyte (where A is the alkaline-earth element such as Ca, Sr, or Ba), with binary A-B alloy (where B is the liquid metal such as Bi or Sb) working electrodes, and a pure A metal reference electrode. Emf data are collected over a temperature range of 723 K to 1,123 K in 25 K increments for multiple alloy compositions per experiment and the results are analyzed to yield activity values, phase transition temperatures, and partial molar entropies/enthalpies for each composition. PMID:29155770

Ternary phase equilibria in transition metal-boron-carbon-silicon systems. Part I. Related binary systems, Volume III. Systems Mo-B and W-B. Technical documentary report, 1 November 1964-1 June 1965

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rudy, E.; Windisch.

1965-07-01

On the basis of X-ray, melting point, metallographic, and differential thermoanalytical studies on molybdenum-boron and tungsten-boron alloys, constitution diagrams for both binary systems are presented. In the high temperature regions, the newly established phase diagrams differ significantly from previously reported systems. The results are discussed and compared with available literature data.

First Principles Calculations of Transition Metal Binary Alloys: Phase Stability and Surface Effects

NASA Astrophysics Data System (ADS)

Aspera, Susan Meñez; Arevalo, Ryan Lacdao; Shimizu, Koji; Kishida, Ryo; Kojima, Kazuki; Linh, Nguyen Hoang; Nakanishi, Hiroshi; Kasai, Hideaki

2017-06-01

The phase stability and surface effects on binary transition metal nano-alloy systems were investigated using density functional theory-based first principles calculations. In this study, we evaluated the cohesive and alloying energies of six binary metal alloy bulk systems that sample each type of alloys according to miscibility, i.e., Au-Ag and Pd-Ag for the solid solution-type alloys (SS), Pd-Ir and Pd-Rh for the high-temperature solid solution-type alloys (HTSS), and Au-Ir and Ag-Rh for the phase-separation (PS)-type alloys. Our results and analysis show consistency with experimental observations on the type of materials in the bulk phase. Varying the lattice parameter was also shown to have an effect on the stability of the bulk mixed alloy system. It was observed, particularly for the PS- and HTSS-type materials, that mixing gains energy from the increasing lattice constant. We furthermore evaluated the surface effects, which is an important factor to consider for nanoparticle-sized alloys, through analysis of the (001) and (111) surface facets. We found that the stability of the surface depends on the optimization of atomic positions and segregation of atoms near/at the surface, particularly for the HTSS and the PS types of metal alloys. Furthermore, the increase in energy for mixing atoms at the interface of the atomic boundaries of PS- and HTSS-type materials is low enough to overcome by the gain in energy through entropy. These, therefore, are the main proponents for the possibility of mixing alloys near the surface.

Magnetic Binary Silicide Nanostructures.

PubMed

Goldfarb, Ilan; Cesura, Federico; Dascalu, Matan

2018-05-02

In spite of numerous advantageous properties of silicides, magnetic properties are not among them. Here, the magnetic properties of epitaxial binary silicide nanostructures are discussed. The vast majority of binary transition-metal silicides lack ferromagnetic order in their bulk-size crystals. Silicides based on rare-earth metals are usually weak ferromagnets or antiferromagnets, yet both groups tend to exhibit increased magnetic ordering in low-dimensional nanostructures, in particular at low temperatures. The origin of this surprising phenomenon lies in undercoordinated atoms at the nanostructure extremities, such as 2D (surfaces/interfaces), 1D (edges), and 0D (corners) boundaries. Uncompensated superspins of edge atoms increase the nanostructure magnetic shape anisotropy to the extent where it prevails over its magnetocrystalline counterpart, thus providing a plausible route toward the design of a magnetic response from nanostructure arrays in Si-based devices, such as bit-patterned magnetic recording media and spin injectors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evaluating DFT for Transition Metals and Binaries: Developing the V/DM-17 Test Set

NASA Astrophysics Data System (ADS)

Decolvenaere, Elizabeth; Mattsson, Ann

We have developed the V-DM/17 test set to evaluate the experimental accuracy of DFT calculations of transition metals. When simulation and experiment disagree, the disconnect in length-scales and temperatures makes determining ``who is right'' difficult. However, methods to evaluate the experimental accuracy of functionals in the context of solid-state materials science, especially for transition metals, is lacking. As DFT undergoes a shift from a descriptive to a predictive tool, these issues of verification are becoming increasingly important. With undertakings like the Materials Project leading the way in high-throughput predictions and discoveries, the development of a one-size-fits-most approach to verification is critical. Our test set evaluates 26 transition metal elements and 80 transition metal alloys across three physical observables: lattice constants, elastic coefficients, and formation energy of alloys. Whether or not the formation energy can be reproduced measures whether the relevant physics are captured in a calculation. This is especially important question in transition metals, where active d-electrons can thwart commonly used techniques. In testing the V/DM-17 test set, we offer new views into the performance of existing functionals. Sandia National Labs is a multi-mission laboratory managed and operated by Sandia Corp., a wholly owned subsidiary of Lockheed Martin Corp., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Phase Segregation Behavior of Two-Dimensional Transition Metal Dichalcogenide Binary Alloys Induced by Dissimilar Substitution

DOE PAGES

Susarla, Sandhya; Kochat, Vidya; Kutana, Alex; ...

2017-08-15

Transition metal dichalcogenide (TMD) alloys form a broad class of two-dimensional (2D) layered materials with tunable bandgaps leading to interesting optoelectronic applications. In the bottom-up approach of building these atomically thin materials, atomic doping plays a crucial role. Here we demonstrate a single step CVD (chemical vapor deposition) growth procedure for obtaining binary alloys and heterostructures by tuning atomic composition. We show that a minute doping of tin during the growth phase of the Mo 1–xW xS 2 alloy system leads to formation of lateral and vertical heterostructure growth. High angle annular dark field scanning transmission electron microscopy (HAADF-STEM) imagingmore » and density functional theory (DFT) calculations also support the modified stacking and growth mechanism due to the nonisomorphous Sn substitution. Our experiments demonstrate the possibility of growing heterostructures of TMD alloys whose spectral responses can be desirably tuned for various optoelectronic applications.« less

Plasmonic spectral tunability of conductive ternary nitrides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kassavetis, S.; Patsalas, P., E-mail: ppats@physics.auth.gr; Bellas, D. V.

2016-06-27

Conductive binary transition metal nitrides, such as TiN and ZrN, have emerged as a category of promising alternative plasmonic materials. In this work, we show that ternary transition metal nitrides such as Ti{sub x}Ta{sub 1−x}N, Ti{sub x}Zr{sub 1−x}N, Ti{sub x}Al{sub 1−x}N, and Zr{sub x}Ta{sub 1−x}N share the important plasmonic features with their binary counterparts, while having the additional asset of the exceptional spectral tunability in the entire visible (400–700 nm) and UVA (315–400 nm) spectral ranges depending on their net valence electrons. In particular, we demonstrate that such ternary nitrides can exhibit maximum field enhancement factors comparable with gold in the aforementionedmore » 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.« less

The influence of transition metal solutes on the dislocation core structure and values of the Peierls stress and barrier in tungsten

NASA Astrophysics Data System (ADS)

Samolyuk, G. D.; Osetsky, Y. N.; Stoller, R. E.

2013-01-01

Several transition metals were examined to evaluate their potential for improving the ductility of tungsten. The dislocation core structure and Peierls stress and barrier of 1/2<111> screw dislocations in binary tungsten-transition metal alloys (W1-xTMx) were investigated using density functional theory calculations. The periodic quadrupole approach was applied to model the structure of the 1/2<111> dislocation. Alloying with transition metals was modeled using the virtual crystal approximation and the applicability of this approach was assessed by calculating the equilibrium lattice parameter and elastic constants of the tungsten alloys. Reasonable agreement was obtained with experimental data and with results obtained from the conventional supercell approach. Increasing the concentration of a transition metal from the VIIIA group, i.e. the elements in columns headed by Fe, Co and Ni, leads to reduction of the C‧ elastic constant and increase of the elastic anisotropy A = C44/C‧. Alloying W with a group VIIIA transition metal changes the structure of the dislocation core from symmetric to asymmetric, similarly to results obtained for W1-xRex alloys in the earlier work of Romaner et al (2010 Phys. Rev. Lett. 104 195503). In addition to a change in the core symmetry, the values of the Peierls stress and barrier are reduced. The latter effect could lead to increased ductility in a tungsten-based alloy. Our results demonstrate that alloying with any of the transition metals from the VIIIA group should have a similar effect to alloying with Re.

Photocatalytic activity of binary metal oxide nanocomposites of CeO2/CdO nanospheres: Investigation of optical and antimicrobial activity.

PubMed

Magdalane, C Maria; Kaviyarasu, K; Vijaya, J Judith; Siddhardha, Busi; Jeyaraj, B

2016-10-01

We report the synthesis of high quality CeO2-CdO binary metal oxide nanocomposites were synthesized by a simple chemical precipitation and hydrothermal method. Cerium nitrate and cadmium nitrate were used as precursors. Composition, structure and morphology of the nanocomposites were analyzed by X-ray diffraction (XRD) and high resolution transmission electron microscopy (HRTEM). XRD pattern proves that the final product has cubic phase and the particle size diameter of the nanocomposites are 27nm, XRD results also indicated that the crystalline properties of the nanocomposite were improved without affecting the parent lattice, FESEM analysis indicates that the product is composed of spherical particles in clusters. The morphological and optical properties of CeO2-CdO nanosamples were characterized by HRTEM and DRS spectroscopy. The IR results showed high purity of products and indicated that the nanocomposites are made up of CeO2 and CdO bonds. Absorption spectra exhibited an upward shift in characteristic peaks caused by the addition of transition metal oxide, suggesting that crystallinity of both the metal oxide is improved due to specific doping level. TGA plots further confirmed the purity and stability of nanomaterials prepared. Hence the nanocomposite has cubic crystal lattice and form a homogeneous solid structure. From the result, Cd(2+) ions are embedded in the cubic crystal lattice of ceria. The growth rate increases which are ascribed to the cationic doping with a lower valence cation. Ce-Cd binary metal oxide nanocomposites showed antibacterial activity, it showed the better growth inhibition towards p.aeruginosa. Exploit of photodegradation and photocatalytic activity of large scale synthesis of CeO2-CdO binary metal oxide nanocomposites was reported. Copyright © 2016 Elsevier B.V. All rights reserved.

Computer simulation of liquid metals

NASA Astrophysics Data System (ADS)

Belashchenko, D. K.

2013-12-01

Methods for and the results of the computer simulation of liquid metals are reviewed. Two basic methods, classical molecular dynamics with known interparticle potentials and the ab initio method, are considered. Most attention is given to the simulated results obtained using the embedded atom model (EAM). The thermodynamic, structural, and diffusion properties of liquid metal models under normal and extreme (shock) pressure conditions are considered. Liquid-metal simulated results for the Groups I - IV elements, a number of transition metals, and some binary systems (Fe - C, Fe - S) are examined. Possibilities for the simulation to account for the thermal contribution of delocalized electrons to energy and pressure are considered. Solidification features of supercooled metals are also discussed.

Composition formulas of Fe-based transition metals-metalloid bulk metallic glasses derived from dual-cluster model of binary eutectics.

PubMed

Naz, Gul Jabeen; Dong, Dandan; Geng, Yaoxiang; Wang, Yingmin; Dong, Chuang

2017-08-22

It is known that bulk metallic glasses follow simple composition formulas [cluster](glue atom) 1 or 3 with 24 valence electrons within the framework of the cluster-plus-glue-atom model. Though the relevant nearest-neighbor cluster can be readily identified from a devitrification phase, the glue atoms remains poorly defined. The present work is devoted to understanding the composition rule of Fe-(B,P,C) based multi-component bulk metallic glasses, by introducing a cluster-based eutectic liquid model. This model regards a eutectic liquid to be composed of two stable liquids formulated respectively by cluster formulas for ideal metallic glasses from the two eutectic phases. The dual cluster formulas are first established for binary Fe-(B,C,P) eutectics: [Fe-Fe 14 ]B 2 Fe + [B-B 2 Fe 8 ]Fe ≈ Fe 83.3 B 16.7 for eutectic Fe 83 B 17 , [P-Fe 14 ]P + [P-Fe 9 ]P 2 Fe≈Fe 82.8 P 17.2 for Fe 83 P 17 , and [C-Fe 6 ]Fe 3  + [C-Fe 9 ]C 2 Fe ≈ Fe 82.6 C 17.4 for Fe 82.7 C 17.3 . The second formulas in these dual-cluster formulas, being respectively relevant to devitrification phases Fe 2 B, Fe 3 P, and Fe 3 C, well explain the compositions of existing Fe-based transition metals-metalloid bulk metallic glasses. These formulas also satisfy the 24-electron rule. The proposition of the composition formulas for good glass formers, directly from known eutectic points, constitutes a new route towards understanding and eventual designing metallic glasses of high glass forming abilities.

Semiconducting transition metal oxides.

PubMed

Lany, Stephan

2015-07-22

Open shell transition metal oxides are usually described as Mott or charge transfer insulators, which are often viewed as being disparate from semiconductors. Based on the premise that the presence of a correlated gap and semiconductivity are not mutually exclusive, this work reviews electronic structure calculations on the binary 3d oxides, so to distill trends and design principles for semiconducting transition metal oxides. This class of materials possesses the potential for discovery, design, and development of novel functional semiconducting compounds, e.g. for energy applications. In order to place the 3d orbitals and the sp bands into an integrated picture, band structure calculations should treat both contributions on the same footing and, at the same time, account fully for electron correlation in the 3d shell. Fundamentally, this is a rather daunting task for electronic structure calculations, but quasi-particle energy calculations in GW approximation offer a viable approach for band structure predictions in these materials. Compared to conventional semiconductors, the inherent multivalent nature of transition metal cations is more likely to cause undesirable localization of electron or hole carriers. Therefore, a quantitative prediction of the carrier self-trapping energy is essential for the assessing the semiconducting properties and to determine whether the transport mechanism is a band-like large-polaron conduction or a small-polaron hopping conduction. An overview is given for the binary 3d oxides on how the hybridization between the 3d crystal field symmetries with the O-p orbitals of the ligands affects the effective masses and the likelihood of electron and hole self-trapping, identifying those situations where small masses and band-like conduction are more likely to be expected. The review concludes with an illustration of the implications of the increased electronic complexity of transition metal cations on the defect physics and doping, using as an example the diversity of possible atomic and magnetic configurations of the O vacancy in TiO(2), and the high levels of hole doping in Co(2)ZnO(4) due to a self-doping mechanism that originates from the multivalence of Co.

Parasitic resistive switching uncovered from complementary resistive switching in single active-layer oxide memory device

NASA Astrophysics Data System (ADS)

Zhu, Lisha; Hu, Wei; Gao, Chao; Guo, Yongcai

2017-12-01

This paper reports the reversible transition processes between the bipolar and complementary resistive switching (CRS) characteristics on the binary metal-oxide resistive memory devices of Pt/HfO x /TiN and Pt/TaO x /TiN by applying the appropriate bias voltages. More interestingly, by controlling the amplitude of the negative bias, the parasitic resistive switching effect exhibiting repeatable switching behavior is uncovered from the CRS behavior. The electrical observation of the parasitic resistive switching effect can be explained by the controlled size of the conductive filament. This work confirms the transformation and interrelationship among the bipolar, parasitic, and CRS effects, and thus provides new insight into the understanding of the physical mechanism of the binary metal-oxide resistive switching memory devices.

Mono-component versus binary isotherm models for Cu(II) and Pb(II) sorption from binary metal solution by the green alga Pithophora oedogonia.

PubMed

Kumar, Dhananjay; Singh, Alpana; Gaur, J P

2008-11-01

The sorption of Cu(II) and Pb(II) by Pithophora markedly decreased as the concentration of the secondary metal ion, Cu(II) or Pb(II), increased in the binary metal solution. However, the test alga showed a greater affinity to sorb Cu(II) than Pb(II) from the binary metal solution. Mono-component Freundlich, Langmuir, Redlich-Peterson and Sips isotherms successfully predicted the sorption of Cu(II) and Pb(II) from both single and binary metal solutions. None of the tested binary sorption isotherms could realistically predict Cu(II) and Pb(II) sorption capacity and affinity of the test alga for the binary metal solutions of varying composition, which mono-component isotherms could very well accomplish. Hence, mono-component isotherm modeling at different concentrations of the secondary metal ion seems to be a better option than binary isotherms for metal sorption from binary metal solution.

Formation enthalpies for transition metal alloys using machine learning

NASA Astrophysics Data System (ADS)

Ubaru, Shashanka; Miedlar, Agnieszka; Saad, Yousef; Chelikowsky, James R.

2017-06-01

The enthalpy of formation is an important thermodynamic property. Developing fast and accurate methods for its prediction is of practical interest in a variety of applications. Material informatics techniques based on machine learning have recently been introduced in the literature as an inexpensive means of exploiting materials data, and can be used to examine a variety of thermodynamics properties. We investigate the use of such machine learning tools for predicting the formation enthalpies of binary intermetallic compounds that contain at least one transition metal. We consider certain easily available properties of the constituting elements complemented by some basic properties of the compounds, to predict the formation enthalpies. We show how choosing these properties (input features) based on a literature study (using prior physics knowledge) seems to outperform machine learning based feature selection methods such as sensitivity analysis and LASSO (least absolute shrinkage and selection operator) based methods. A nonlinear kernel based support vector regression method is employed to perform the predictions. The predictive ability of our model is illustrated via several experiments on a dataset containing 648 binary alloys. We train and validate the model using the formation enthalpies calculated using a model by Miedema, which is a popular semiempirical model used for the prediction of formation enthalpies of metal alloys.

Design of Nickel-Based Cation-Disordered Rock-Salt Oxides: The Effect of Transition Metal (M = V, Ti, Zr) Substitution in LiNi0.5M0.5O2 Binary Systems.

PubMed

Cambaz, Musa Ali; Vinayan, Bhaghavathi P; Euchner, Holger; Johnsen, Rune E; Guda, Alexander A; Mazilkin, Andrey; Rusalev, Yury V; Trigub, Alexander L; Gross, Axel; Fichtner, Maximilian

2018-06-20

Cation-disordered oxides have been ignored as positive electrode material for a long time due to structurally limited lithium insertion/extraction capabilities. In this work, a case study is carried out on nickel-based cation-disordered Fm3 ̅m LiNi 0.5 M 0.5 O 2 positive electrode materials. The present investigation targets tailoring the electrochemical properties for nickel-based cation-disordered rock-salt by electronic considerations. The compositional space for binary LiM +3 O 2 with metals active for +3/+4 redox couples is extended to ternary oxides with LiA 0.5 B 0.5 O 2 with A = Ni 2+ and B = Ti 4+ , Zr 4+ , and V +4 to assess the impact of the different transition metals in the isostructural oxides. The direct synthesis of various new unknown ternary nickel-based Fm3̅ m cation-disordered rock-salt positive electrode materials is presented with a particular focus on the LiNi 0.5 V 0.5 O 2 system. This positive electrode material for Li-ion batteries displays an average voltage of ∼2.55 V and a high discharge capacity of 264 mAhg -1 corresponding to 0.94 Li. For appropriate cutoff voltages, a long cycle life is achieved. The charge compensation mechanism is probed by XANES, confirming the reversible oxidation and reduction of V 4+ /V 5+ . The enhancement in the electrochemical performances within the presented compounds stresses the importance of mixed cation-disordered transition metal oxides with different electronic configuration.

Heats of Segregation of BCC Binaries from Ab Initio and Quantum Approximate Calculations

NASA Technical Reports Server (NTRS)

Good, Brian S.

2003-01-01

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy methods. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameters. Quantum approximate segregation energies are computed with and without atomistic relaxation. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with full-potential quantum calculations and with available experimental results.

Transition of an X-ray binary to the hard ultraluminous state in the blue compact dwarf galaxy VII Zw 403

NASA Astrophysics Data System (ADS)

Brorby, M.; Kaaret, P.; Feng, H.

2015-04-01

We examine the X-ray spectra of VII Zw 403, a nearby low-metallicity blue compact dwarf (BCD) galaxy. The galaxy has been observed to contain an X-ray source, likely a high-mass X-ray binary (HMXB), with a luminosity of 1.3-23 × 1038 erg s-1 in the 0.3-8 keV energy range. A new Suzaku observation shows a transition to a luminosity of 1.7 × 1040 erg s-1 [0.3-8 keV], higher by a factor of 7-130. The spectra from the high-flux state are hard, best described by a disc plus Comptonization model, and exhibit curvature at energies above 5 keV. This is consistent with many high-quality ultraluminous X-ray source spectra which have been interpreted as stellar mass black holes accreting at super-Eddington rates. However, this lies in contrast to another HMXB in a low-metallicity BCD, I Zw 18, that exhibits a soft spectrum at high flux, similar to Galactic black hole binaries and has been interpreted as a possible intermediate-mass black hole. Determining the spectral properties of HMXBs in BCDs has important implications for models of the Epoch of Reionization. It is thought that the main component of X-ray heating in the early Universe was dominated by HMXBs within the first galaxies. Early galaxies were small, metal-deficient, star-forming galaxies with large H I mass fractions - properties shared by local BCDs we see today. Understanding the spectral evolution of HMXBs in early Universe analogue galaxies, such as BCDs, is an important step in estimating their contribution to the heating of the intergalactic medium during the Epoch of Reionization. The strong contrast between the properties of the only two spectroscopically studied HMXBs within BCDs motivates further study on larger samples of HMXBs in low-metallicity environments in order to properly estimate the X-ray heating in the early Universe.

Phosphorization boosts the capacitance of mixed metal nanosheet arrays for high performance supercapacitor electrodes.

PubMed

Lan, Yingying; Zhao, Hongyang; Zong, Yan; Li, Xinghua; Sun, Yong; Feng, Juan; Wang, Yan; Zheng, Xinliang; Du, Yaping

2018-05-01

Binary transition metal phosphides hold immense potential as innovative electrode materials for constructing high-performance energy storage devices. Herein, porous binary nickel-cobalt phosphide (NiCoP) nanosheet arrays anchored on nickel foam (NF) were rationally designed as self-supported binder-free electrodes with high supercapacitance performance. Taking the combined advantages of compositional features and array architectures, the nickel foam supported NiCoP nanosheet array (NiCoP@NF) electrode possesses superior electrochemical performance in comparison with Ni-Co LDH@NF and NiCoO2@NF electrodes. The NiCoP@NF electrode shows an ultrahigh specific capacitance of 2143 F g-1 at 1 A g-1 and retained 1615 F g-1 even at 20 A g-1, showing excellent rate performance. Furthermore, a binder-free all-solid-state asymmetric supercapacitor device is designed, which exhibits a high energy density of 27 W h kg-1 at a power density of 647 W kg-1. The hierarchical binary nickel-cobalt phosphide nanosheet arrays hold great promise as advanced electrode materials for supercapacitors with high electrochemical performance.

Sensitivity and Limitations of Structures from X-ray and Neutron-Based Diffraction Analyses of Transition Metal Oxide Lithium-Battery Electrodes

DOE PAGES

Liu, Hao; Liu, Haodong; Lapidus, Saul H.; ...

2017-06-21

Lithium transition metal oxides are an important class of electrode materials for lithium-ion batteries. Binary or ternary (transition) metal doping brings about new opportunities to improve the electrode’s performance and often leads to more complex stoichiometries and atomic structures than the archetypal LiCoO 2. Rietveld structural analyses of X-ray and neutron diffraction data is a widely-used approach for structural characterization of crystalline materials. But, different structural models and refinement approaches can lead to differing results, and some parameters can be difficult to quantify due to the inherent limitations of the data. Here, through the example of LiNi 0.8Co 0.15Al 0.05Omore » 2 (NCA), we demonstrated the sensitivity of various structural parameters in Rietveld structural analysis to different refinement approaches and structural models, and proposed an approach to reduce refinement uncertainties due to the inexact X-ray scattering factors of the constituent atoms within the lattice. Furthermore, this refinement approach was implemented for electrochemically-cycled NCA samples and yielded accurate structural parameters using only X-ray diffraction data. The present work provides the best practices for performing structural refinement of lithium transition metal oxides.« less

Sensitivity and Limitations of Structures from X-ray and Neutron-Based Diffraction Analyses of Transition Metal Oxide Lithium-Battery Electrodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Hao; Liu, Haodong; Lapidus, Saul H.

Lithium transition metal oxides are an important class of electrode materials for lithium-ion batteries. Binary or ternary (transition) metal doping brings about new opportunities to improve the electrode’s performance and often leads to more complex stoichiometries and atomic structures than the archetypal LiCoO 2. Rietveld structural analyses of X-ray and neutron diffraction data is a widely-used approach for structural characterization of crystalline materials. But, different structural models and refinement approaches can lead to differing results, and some parameters can be difficult to quantify due to the inherent limitations of the data. Here, through the example of LiNi 0.8Co 0.15Al 0.05Omore » 2 (NCA), we demonstrated the sensitivity of various structural parameters in Rietveld structural analysis to different refinement approaches and structural models, and proposed an approach to reduce refinement uncertainties due to the inexact X-ray scattering factors of the constituent atoms within the lattice. Furthermore, this refinement approach was implemented for electrochemically-cycled NCA samples and yielded accurate structural parameters using only X-ray diffraction data. The present work provides the best practices for performing structural refinement of lithium transition metal oxides.« less

Exploring the color of transition metal ions in irregular coordination geometries: new colored inorganic oxides based on the spiroffite structure, Zn(2-x)M(x)Te3O8 (M = Co, Ni, Cu).

PubMed

Tamilarasan, S; Sarma, Debajit; Bhattacharjee, S; Waghmare, U V; Natarajan, S; Gopalakrishnan, J

2013-05-20

We describe the synthesis, crystal structures, and optical absorption spectra of transition metal-substituted spiroffite derivatives, Zn(2-x)M(x)Te3O8 (M(II) = Co, Ni, Cu; 0 < x ≤ 1.0). The oxides are readily synthesized by solid state reaction of stoichiometric mixtures of the constituent binaries at 620 °C. Reitveld refinement of the crystal structures from powder X-ray diffraction (XRD) data shows that the Zn/MO6 octahedra are strongly distorted, as in the parent Zn2Te3O8 structure, consisting of five relatively short Zn/M(II)-O bonds (1.898-2.236 Å) and one longer Zn/M(II)-O bond (2.356-2.519 Å). We have interpreted the unique colors and the optical absorption/diffuse reflectance spectra of Zn(2-x)M(x)Te3O8 in the visible, in terms of the observed/irregular coordination geometry of the Zn/M(II)-O chromophores. We could not however prepare the fully substituted M2Te3O8 (M(II) = Co, Ni, Cu) by the direct solid state reaction method. Density Functional Theory (DFT) modeling of the electronic structure of both the parent and the transition metal substituted derivatives provides new insights into the bonding and the role of transition metals toward the origin of color in these materials. We believe that transition metal substituted spiroffites Zn(2-x)M(x)Te3O8 reported here suggest new directions for the development of colored inorganic materials/pigments featuring irregular/distorted oxygen coordination polyhedra around transition metal ions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mukherjee, Rupam; Huang, Zhi-Feng; Nadgorny, Boris

Multiple percolation transitions are observed in a binary system of RuO{sub 2}-CaCu{sub 3}Ti{sub 4}O{sub 12} metal-semiconductor nanoparticle composites near percolation thresholds. Apart from a classical percolation transition, associated with the appearance of a continuous conductance path through RuO{sub 2} metal oxide nanoparticles, at least two additional tunneling percolation transitions are detected in this composite system. Such behavior is consistent with the recently emerged picture of a quantum conductivity staircase, which predicts several percolation tunneling thresholds in a system with a hierarchy of local tunneling conductance, due to various degrees of proximity of adjacent conducting particles distributed in an insulating matrix.more » Here, we investigate a different type of percolation tunneling staircase, associated with a more complex conductive and insulating particle microstructure of two types of non-spherical constituents. As tunneling is strongly temperature dependent, we use variable temperature measurements to emphasize the hierarchical nature of consecutive tunneling transitions. The critical exponents corresponding to specific tunneling percolation thresholds are found to be nonuniversal and temperature dependent.« less

Pressure tuning the lattice and optical response of silver sulfide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Zhao, E-mail: zhaozhao@stanford.edu; Wei, Hua; Mao, Wendy L.

2016-06-27

Binary transition metal chalcogenides have attracted increasing attention for their unique structural and electronic properties. High pressure is a powerful tool for tuning the lattice and electronic structure of transition metal chalcogenides away from their pristine states. In this work, we systematically studied the in situ structural and optical behavior of silver sulfide (Ag{sub 2}S) under pressure by synchrotron X-ray diffraction and infrared spectroscopy measurements in a diamond anvil cell. Upon compression, Ag{sub 2}S undergoes structural symmetrization accompanied by a series of structural transitions while the crystallographic inequivalence of the two Ag sites is maintained. Electronically, pressure effectively tunes themore » ambient semiconducting Ag{sub 2}S into a metal at ∼22 GPa. Drude model analysis shows that the optical conductivity evolves significantly, reaching the highest value of 100 Ω{sup −1} cm{sup −1} at ∼40 GPa. Our results highlight the structural and electronic tunability of silver chalcogenides as a function of pressure and suggest the potential of Ag{sub 2}S as a platform for developing optical and opto-electronic applications.« less

Parameters Free Computational Characterization of Defects in Transition Metal Oxides with Diffusion Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Santana, Juan A.; Krogel, Jaron T.; Kent, Paul R.; Reboredo, Fernando

Materials based on transition metal oxides (TMO's) are among the most challenging systems for computational characterization. Reliable and practical computations are possible by directly solving the many-body problem for TMO's with quantum Monte Carlo (QMC) methods. These methods are very computationally intensive, but recent developments in algorithms and computational infrastructures have enabled their application to real materials. We will show our efforts on the application of the diffusion quantum Monte Carlo (DMC) method to study the formation of defects in binary and ternary TMO and heterostructures of TMO. We will also outline current limitations in hardware and algorithms. This work is supported by the Materials Sciences & Engineering Division of the Office of Basic Energy Sciences, U.S. Department of Energy (DOE).

Transition and post-transition metal ions in borate glasses: Borate ligand speciation, cluster formation, and their effect on glass transition and mechanical properties.

PubMed

Möncke, D; Kamitsos, E I; Palles, D; Limbach, R; Winterstein-Beckmann, A; Honma, T; Yao, Z; Rouxel, T; Wondraczek, L

2016-09-28

A series of transition and post-transition metal ion (Mn, Cu, Zn, Pb, Bi) binary borate glasses was studied with special consideration of the cations impact on the borate structure, the cations cross-linking capacity, and more generally, structure-property correlations. Infrared (IR) and Raman spectroscopies were used for the structural characterization. These complementary techniques are sensitive to the short-range order as in the differentiation of tetrahedral and trigonal borate units or regarding the number of non-bridging oxygen ions per unit. Moreover, vibrational spectroscopy is also sensitive to the intermediate-range order and to the presence of superstructural units, such as rings and chains, or the combination of rings. In order to clarify band assignments for the various borate entities, examples are given from pure vitreous B 2 O 3 to meta-, pyro-, ortho-, and even overmodified borate glass compositions. For binary metaborate glasses, the impact of the modifier cation on the borate speciation is shown. High field strength cations such as Zn 2+ enhance the disproportionation of metaborate to polyborate and pyroborate units. Pb 2+ and Bi 3+ induce cluster formation, resulting in PbO n - and BiO n -pseudophases. Both lead and bismuth borate glasses show also a tendency to stabilize very large superstructural units in the form of diborate polyanions. Far-IR spectra reflect on the bonding states of modifier cations in glasses. The frequency of the measured cation-site vibration band was used to obtain the average force constant for the metal-oxygen bonding, F M-O . A linear correlation between glass transition temperature (T g ) and F M-O was shown for the metaborate glass series. The mechanical properties of the glasses also correlate with the force constant F M-O , though for cations of similar force constant the fraction of tetrahedral borate units (N 4 ) strongly affects the thermal and mechanical properties. For paramagnetic Cu- and Mn-borate glasses, N 4 was determined from the IR spectra after deducing the relative absorption coefficient of boron tetrahedral versus boron trigonal units, α = α 4 /α 3 , using NMR literature data of the diamagnetic glasses.

Effect of component substitution on the atomic dynamics in glass-forming binary metallic melts

NASA Astrophysics Data System (ADS)

Nowak, B.; Holland-Moritz, D.; Yang, F.; Voigtmann, Th.; Evenson, Z.; Hansen, T. C.; Meyer, A.

2017-08-01

We investigate the substitution of early transition metals (Zr, Hf, and Nb) in Ni-based binary glass-forming metallic melts and the impact on structural and dynamical properties by using a combination of neutron scattering, electrostatic levitation (ESL), and isotopic substitution. The self-diffusion coefficients measured by quasielastic neutron scattering (QENS) identify a sluggish diffusion as well as an increased activation energy by almost a factor of 2 for Hf35Ni65 compared to Zr36Ni64 . This finding can be explained by the locally higher packing density of Hf atoms in Hf35Ni65 compared to Zr atoms in Zr36Ni64 , which has been derived from interatomic distances by analyzing the measured partial structure factors. Furthermore, QENS measurements of liquid Hf35Ni65 prepared with 60Ni , which has a vanishing incoherent scattering cross section, have demonstrated that self-diffusion of Hf is slowed down compared to the concentration weighted self-diffusion of Hf and Ni. This implies a dynamical decoupling between larger Hf and smaller Ni atoms, which can be related to a saturation effect of unequal atomic nearest-neighbor pairs, that was observed recently for Ni-rich compositions in Zr-Ni metallic melts. In order to establish a structure-dynamics relation, measured partial structure factors have been used as an input for mode-coupling theory (MCT) of the glass transition to calculate self-diffusion coefficients for the different atomic components. Remarkably, MCT can reproduce the increased activation energy for Hf35Ni65 as well as the dynamical decoupling between Hf and Ni atoms.

Density functional theory study for the enhanced sulfur tolerance of Ni catalysts by surface alloying

NASA Astrophysics Data System (ADS)

Hwang, Bohyun; Kwon, Hyunguk; Ko, Jeonghyun; Kim, Byung-Kook; Han, Jeong Woo

2018-01-01

Sulfur compounds in fuels deactivate the surface of anode materials in solid oxide fuel cells (SOFCs), which adversely affect the long-term durability. To solve this issue, it is important to design new SOFC anode materials with high sulfur tolerance. Unfortunately, it is difficult to completely replace the traditional Ni anode owing to its outstanding reactivity with low cost. As an alternative, alloying Ni with transition metals is a practical strategy to enhance the sulfur resistance while taking advantage of Ni metal. Therefore, in this study, we examined the effects of transition metal (Cu, Rh, Pd, Ag, Pt, and Au) doping into a Ni catalyst on not only the adsorption of H2S, HS, S, and H but also H2S decomposition using density functional theory (DFT) calculations. The dopant metals were selected rationally by considering the stability of the Ni-based binary alloys. The interactions between sulfur atoms produced by H2S dissociation and the surface are weakened by the dopant metals at the topmost layer. In addition, the findings show that H2S dissociation can be suppressed by doping transition metals. It turns out that these effects are maximized in the Au-doped Ni catalyst. Our DFT results will provide useful insights into the design of sulfur-tolerant SOFC anode materials.

VizieR Online Data Catalog: KOI-1257 photometric and velocimetric data (Santerne+, 2014)

NASA Astrophysics Data System (ADS)

Santerne, A.; Hebrard, G.; Deleuil, M.; Havel, M.; Correia, A. C. M.; Almenara, J.-M.; Alonso, R.; Arnold, L.; Barros, S. C. C.; Behrend, R.; Bernasconi, L.; Boisse, I.; Bonomo, A. S.; Bouchy, F.; Bruno, G.; Damiani, C.; Diaz, R. F.; Gravallon, D.; Guillot, T.; Labrevoir, O.; Montagnier, G.; Moutou, C.; Rinner, C.; Santos, N. C.; Abe, L.; Audejean, M.; Bendjoya, P.; Gillier, C.; Gregorio, J.; Martinez, P.; Michelet, J.; Montaigut, R.; Poncy, R.; Rivet, J.-P.; Rousseau, G.; Roy, R.; Suarez, O.; Vanhuysse, M.; Verilhac, D.

2014-11-01

In this paper we report a new transiting warm giant planet: KOI-1257b. It was first detected in photometry as a planet-candidate by the Kepler space telescope and then validated thanks to a radial velocity follow-up with the SOPHIE spectrograph. It orbits its host star with a period of 86.647661d+/-3s and a high eccentricity of 0.772+/-0.045. The planet transits the main star of a metal-rich, relatively old binary system with stars of mass of 0.99+/-0.05M⊙ and 0.70+/-0.07M⊙ for the primary and secondary, respectively. This binary system is constrained thanks to a self-consistent modelling of the Kepler transit light curve, the SOPHIE radial velocities, line bisector and full-width half maximum (FWHM) variations, and the spectral energy distribution. However, future observations are needed to confirm it. The PASTIS fully-Bayesian software was used to validate the nature of the planet and to determine which star of the binary system is the transit host. By accounting for the dilution from the binary both in photometry and in radial velocity, we find that the planet has a mass of 1.45+/-0.35Mjup, and a radius of 0.94+/-0.12Rjup, and thus a bulk density of 2.1+/-1.2g/cm3. The planet has an equilibrium temperature of 511+/-50K, making it one of the few known members of the warm-Jupiter population. The HARPS-N spectrograph was also used to observe a transit of KOI-1257b, simultaneously with a joint amateur and professional photometric follow-up, with the aim of constraining the orbital obliquity of the planet. However, the Rossiter-McLaughlin effect was not clearly detected, resulting in poor constraints on the orbital obliquity of the planet. (3 data files).

Confocal raman microspectroscopy and imaging study of theraphthal in living cancer cells.

PubMed Central

Feofanov, A V; Grichine, A I; Shitova, L A; Karmakova, T A; Yakubovskaya, R I; Egret-Charlier, M; Vigny, P

2000-01-01

Binary systems combining a transition metal complex and ascorbate have been proposed recently for catalytic therapy of malignant tumors. The killing effect on tumor cells is achieved by production of free radicals in the course of accelerated oxidation of ascorbate by dioxygen in the presence of transition metal complexes. Further progress in the development of binary catalytic systems (BCSs) requires a special method for their investigation in cells and tissues, because neither component of BCSs fluoresces. Here a resonance Raman confocal spectral imaging (RR CSI) technique was introduced as a unique approach to monitor quantitatively the transition metal complexes within living cells. Intracellular accumulation, localization, and retention of theraphthal (TP), a catalyst of the advanced TP/ascorbate BCS, were investigated in A549 cells with the RR CSI technique. The cellular analysis was complemented with the detailed study of molecular interactions of TP in solution and environmental factors affecting the RR spectrum of TP. TP does not penetrate into membranes, it binds very weakly to DNA and RNA, but it readily forms complexes with proteins. Binding with Ca(2+) cations and decreasing pH below 6 induce aggregation of TP. By analyzing RR spectra recorded from every point within a TP-treated cell, three states of the agent were discriminated, namely, monomeric TP in polar environment, TP bound to proteins, and aggregated TP. Their cytoplasmic and nuclear distributions were mapped at different stages of uptake and efflux. By introducing organelle-selective fluorescent probes into drug-treated cells and measuring intracellular localization of both the probe and the drug, compartmentation of TP was revealed. Cell growth suppression by the TP/ascorbate system was measured, and probable molecular and organelle targets of radical damage were characterized. PMID:10620313

Statistical mechanics of binary mixture adsorption in metal-organic frameworks in the osmotic ensemble.

PubMed

Dunne, Lawrence J; Manos, George

2018-03-13

Although crucial for designing separation processes little is known experimentally about multi-component adsorption isotherms in comparison with pure single components. Very few binary mixture adsorption isotherms are to be found in the literature and information about isotherms over a wide range of gas-phase composition and mechanical pressures and temperature is lacking. Here, we present a quasi-one-dimensional statistical mechanical model of binary mixture adsorption in metal-organic frameworks (MOFs) treated exactly by a transfer matrix method in the osmotic ensemble. The experimental parameter space may be very complex and investigations into multi-component mixture adsorption may be guided by theoretical insights. The approach successfully models breathing structural transitions induced by adsorption giving a good account of the shape of adsorption isotherms of CO 2 and CH 4 adsorption in MIL-53(Al). Binary mixture isotherms and co-adsorption-phase diagrams are also calculated and found to give a good description of the experimental trends in these properties and because of the wide model parameter range which reproduces this behaviour suggests that this is generic to MOFs. Finally, a study is made of the influence of mechanical pressure on the shape of CO 2 and CH 4 adsorption isotherms in MIL-53(Al). Quite modest mechanical pressures can induce significant changes to isotherm shapes in MOFs with implications for binary mixture separation processes.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).

Statistical mechanics of binary mixture adsorption in metal-organic frameworks in the osmotic ensemble

NASA Astrophysics Data System (ADS)

Dunne, Lawrence J.; Manos, George

2018-03-01

Although crucial for designing separation processes little is known experimentally about multi-component adsorption isotherms in comparison with pure single components. Very few binary mixture adsorption isotherms are to be found in the literature and information about isotherms over a wide range of gas-phase composition and mechanical pressures and temperature is lacking. Here, we present a quasi-one-dimensional statistical mechanical model of binary mixture adsorption in metal-organic frameworks (MOFs) treated exactly by a transfer matrix method in the osmotic ensemble. The experimental parameter space may be very complex and investigations into multi-component mixture adsorption may be guided by theoretical insights. The approach successfully models breathing structural transitions induced by adsorption giving a good account of the shape of adsorption isotherms of CO2 and CH4 adsorption in MIL-53(Al). Binary mixture isotherms and co-adsorption-phase diagrams are also calculated and found to give a good description of the experimental trends in these properties and because of the wide model parameter range which reproduces this behaviour suggests that this is generic to MOFs. Finally, a study is made of the influence of mechanical pressure on the shape of CO2 and CH4 adsorption isotherms in MIL-53(Al). Quite modest mechanical pressures can induce significant changes to isotherm shapes in MOFs with implications for binary mixture separation processes. This article is part of the theme issue `Modern theoretical chemistry'.

Size versus electronic factors in transition metal carbide and TCP phase stability

NASA Astrophysics Data System (ADS)

Pettifor, D. G.; Seiser, B.; Margine, E. R.; Kolmogorov, A. N.; Drautz, R.

2013-09-01

The contributions of atomic size and electronic factors to the structural stability of transition metal carbides and topologically close-packed (TCP) phases are investigated. The hard-sphere model that has been used by Cottrell to rationalize the occurrence of the octahedral and trigonal local coordination polyhedra within the transition metal carbides is shown to have limitations in TiC since density functional theory (DFT) predicts that the second most metastable phase closest to the B1 (NaCl) ground state takes the B? (BN) structure type with 5-atom local coordination polyhedra with very short Ti-C bond lengths. The importance of electronic factors in the TCP phases is demonstrated by DFT predictions that the A15, ? and ? phases are stabilized between groups VI and VII of the elemental transition metals, whereas the ? and Laves phases are destabilized. The origin of this difference is related to the bimodal shape parameter of the electronic density of states by using the bond-order potential expansion of the structural energy within a canonical tight-binding model. The importance of the size factor in the TCP phases is illustrated by the DFT heats of formation for the binary systems Mo-Re, Mo-Ru, Nb-Re and Nb-Ru which show that the ? and Laves phases become more and more stable compared to A15, ? and ? as the size factor increases from Mo-Re through to Nb-Ru.

The close binary frequency of Wolf-Rayet stars as a function of metallicity in M31 and M33

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neugent, Kathryn F.; Massey, Philip, E-mail: kneugent@lowell.edu, E-mail: phil.massey@lowell.edu

Massive star evolutionary models generally predict the correct ratio of WC-type and WN-type Wolf-Rayet stars at low metallicities, but underestimate the ratio at higher (solar and above) metallicities. One possible explanation for this failure is perhaps single-star models are not sufficient and Roche-lobe overflow in close binaries is necessary to produce the 'extra' WC stars at higher metallicities. However, this would require the frequency of close massive binaries to be metallicity dependent. Here we test this hypothesis by searching for close Wolf-Rayet binaries in the high metallicity environments of M31 and the center of M33 as well as in themore » lower metallicity environments of the middle and outer regions of M33. After identifying ∼100 Wolf-Rayet binaries based on radial velocity variations, we conclude that the close binary frequency of Wolf-Rayets is not metallicity dependent and thus other factors must be responsible for the overabundance of WC stars at high metallicities. However, our initial identifications and observations of these close binaries have already been put to good use as we are currently observing additional epochs for eventual orbit and mass determinations.« less

EXTRASOLAR BINARY PLANETS. II. DETECTABILITY BY TRANSIT OBSERVATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewis, K. M.; Ida, S.; Ochiai, H.

2015-05-20

We discuss the detectability of gravitationally bound pairs of gas-giant planets (which we call “binary planets”) in extrasolar planetary systems that are formed through orbital instability followed by planet–planet dynamical tides during their close encounters, based on the results of N-body simulations by Ochiai et al. (Paper I). Paper I showed that the formation probability of a binary is as much as ∼10% for three giant planet systems that undergo orbital instability, and after post-capture long-term tidal evolution, the typical binary separation is three to five times the sum of the physical radii of the planets. The binary planets aremore » stable during the main-sequence lifetime of solar-type stars, if the stellarcentric semimajor axis of the binary is larger than 0.3 AU. We show that detecting modulations of transit light curves is the most promising observational method to detect binary planets. Since the likely binary separations are comparable to the stellar diameter, the shape of the transit light curve is different from transit to transit, depending on the phase of the binary’s orbit. The transit durations and depth for binary planet transits are generally longer and deeper than those for the single planet case. We point out that binary planets could exist among the known inflated gas-giant planets or objects classified as false positive detections at orbital radii ≳0.3 AU, propose a binary planet explanation for the CoRoT candidate SRc01 E2 1066, and show that binary planets are likely to be present in, and could be detected using, Kepler-quality data.« less

Heats of Segregation of BCC Binaries from ab Initio and Quantum Approximate Calculations

NASA Technical Reports Server (NTRS)

Good, Brian S.

2004-01-01

We compare dilute-limit heats of segregation for selected BCC transition metal binaries computed using ab initio and quantum approximate energy methods. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent LMTO-based parameters. Quantum approximate segregation energies are computed with and without atomistic relaxation, while the ab initio calculations are performed without relaxation. Results are discussed within the context of a segregation model driven by strain and bond-breaking effects. We compare our results with full-potential quantum calculations and with available experimental results.

Dynamics of stellar black holes in young star clusters with different metallicities - II. Black hole-black hole binaries

NASA Astrophysics Data System (ADS)

Ziosi, Brunetto Marco; Mapelli, Michela; Branchesi, Marica; Tormen, Giuseppe

2014-07-01

In this paper, we study the formation and dynamical evolution of black hole-black hole (BH-BH) binaries in young star clusters (YSCs), by means of N-body simulations. The simulations include metallicity-dependent recipes for stellar evolution and stellar winds, and have been run for three different metallicities (Z = 0.01, 0.1 and 1 Z⊙). Following recent theoretical models of wind mass-loss and core-collapse supernovae, we assume that the mass of the stellar remnants depends on the metallicity of the progenitor stars. We find that BH-BH binaries form efficiently because of dynamical exchanges: in our simulations, we find about 10 times more BH-BH binaries than double neutron star binaries. The simulated BH-BH binaries form earlier in metal-poor YSCs, which host more massive black holes (BHs) than in metal-rich YSCs. The simulated BH-BH binaries have very large chirp masses (up to 80 M⊙), because the BH mass is assumed to depend on metallicity, and because BHs can grow in mass due to the merger with stars. The simulated BH-BH binaries span a wide range of orbital periods (10-3-107 yr), and only a small fraction of them (0.3 per cent) is expected to merge within a Hubble time. We discuss the estimated merger rate from our simulations and the implications for Advanced VIRGO and LIGO.

Computational studies of the glass-forming ability of model bulk metallic glasses

NASA Astrophysics Data System (ADS)

Zhang, Kai; Wang, Minglei; Papanikolaou, Stefanos; Liu, Yanhui; Schroers, Jan; Shattuck, Mark D.; O'Hern, Corey S.

2013-09-01

Bulk metallic glasses (BMGs) are produced by rapidly thermally quenching supercooled liquid metal alloys below the glass transition temperature at rates much faster than the critical cooling rate Rc below which crystallization occurs. The glass-forming ability of BMGs increases with decreasing Rc, and thus good glass-formers possess small values of Rc. We perform molecular dynamics simulations of binary Lennard-Jones (LJ) mixtures to quantify how key parameters, such as the stoichiometry, particle size difference, attraction strength, and heat of mixing, influence the glass-formability of model BMGs. For binary LJ mixtures, we find that the best glass-forming mixtures possess atomic size ratios (small to large) less than 0.92 and stoichiometries near 50:50 by number. In addition, weaker attractive interactions between the smaller atoms facilitate glass formation, whereas negative heats of mixing (in the experimentally relevant regime) do not change Rc significantly. These results are tempered by the fact that the slowest cooling rates achieved in our simulations correspond to ˜1011 K/s, which is several orders of magnitude higher than Rc for typical BMGs. Despite this, our studies represent a first step in the development of computational methods for quantitatively predicting glass-formability.

Bcc and Fcc transition metals and alloys: a central role for the Jahn-Teller effect in explaining their ideal and distorted structures.

PubMed

Lee, Stephen; Hoffmann, Roald

2002-05-01

Transition metal elements, alloys, and intermetallic compounds often adopt the body centered cubic (bcc) and face centered cubic (fcc) structures. By comparing quantitative density functional with qualitative tight-binding calculations, we analyze the electronic factors which make the bcc and fcc structures energetically favorable. To do so, we develop a tight-binding function, DeltaE(star), a function that measures the energetic effects of transferring electrons within wave vector stars. This function allows one to connect distortions in solids to the Jahn-Teller effect in molecules and to provide an orbital perspective on structure determining deformations in alloys. We illustrate its use by considering first a two-dimensional square net. We then turn to three-dimensional fcc and bcc structures, and distortions of these. Using DeltaE(star), we rationalize the differences in energy of these structures. We are able to deduce which orbitals are responsible for instabilities in seven to nine valence electron per atom (e(-)/a) bcc systems and five and six e(-)/a fcc structures. Finally we demonstrate that these results account for the bcc and fcc type structures found in both the elements and binary intermetallic compounds of group 4 through 9 transition metal atoms. The outline of a theory of metal structure deformations based on loss of point group operation rather than translational symmetry is presented.

Phase stability tuning in the NbxZr1-xN thin-film system for large stacking fault density and enhanced mechanical strength

NASA Astrophysics Data System (ADS)

Joelsson, T.; Hultman, L.; Hugosson, H. W.; Molina-Aldareguia, J. M.

2005-03-01

The phase stability of hexagonal WC-structure and cubic NaCl-structure 4d transition metal nitrides was calculated using first-principles density functional theory. It is predicted that there is a multiphase or polytypic region for the 4d transition metal nitrides with a valence electron concentration around 9.5 to 9.7 per formula unit. For verification, epitaxial NbxZr1-xN (0⩽x⩽1) was grown by reactive magnetron sputter deposition on MgO(001) substrates and analyzed with transmission electron microscopy (TEM) and x-ray diffraction. The defects observed in the films were threading dislocations due to nucleation and growth on the lattice-mismatched substrate and planar defects (stacking faults) parallel to the substrate surface. The highest defect density was found at the x =0.5 composition. The nanoindentation hardness of the films varied between 21GPa for the binary nitrides, and 26GPa for Nb0.5Zr0.5N. Unlike the cubic binary nitrides, no slip on the preferred ⟨11¯0⟩{110} slip system was observed. The increase in hardness is attributed to the increase in defect density at x =0.5, as the defects act as obstacles for dislocation glide during deformation. The findings present routes for the design of wear-resistant nitride coatings by phase stability tuning.

Wide binaries in Tycho-Gaia II: metallicities, abundances and prospects for chemical tagging

NASA Astrophysics Data System (ADS)

Andrews, Jeff J.; Chanamé, Julio; Agüeros, Marcel A.

2018-02-01

From our recent catalogue based on the first Gaia data release (TGAS), we select wide binaries in which both stars have been observed by the Radial Velocity Experiment (RAVE) or the Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST). Using RAVE and LAMOST metallicities and RAVE Mg, Al, Si, Ti and Fe abundances, we find that the differences in the metallicities and elemental abundances of components of wide binaries are consistent with being due to observational uncertainties, in agreement with previous results for smaller and more restricted samples. The metallicity and elemental abundance consistency between wide binary components presented in this work confirms their common origin and bolsters the status of wide binaries as 'mini-open clusters'. Furthermore, this is evident that wide binaries are effectively co-eval and co-chemical, supporting their use for, e.g. constraining age-activity-rotation relations, the initial-final mass relation for white dwarfs and M-dwarf metallicity indicators. Additionally, we demonstrate that the common proper motion, common parallax pairs in TGAS with the most extreme separations (s ≳ 0.1 pc) typically have inconsistent metallicities, radial velocities or both and are therefore likely to be predominantly comprised of random alignments of unassociated stars with similar astrometry, in agreement with our previous results. Finally, we propose that wide binaries form an ideal data set with which we can test chemical tagging as a method to identify stars of common origin, particularly because the stars in wide binaries span a wide range of metallicities, much wider than that spanned by nearby open clusters.

Characterization of binary string statistics for syntactic landmine detection

NASA Astrophysics Data System (ADS)

Nasif, Ahmed O.; Mark, Brian L.; Hintz, Kenneth J.

2011-06-01

Syntactic landmine detection has been proposed to detect and classify non-metallic landmines using ground penetrating radar (GPR). In this approach, the GPR return is processed to extract characteristic binary strings for landmine and clutter discrimination. In our previous work, we discussed the preprocessing methodology by which the amplitude information of the GPR A-scan signal can be effectively converted into binary strings, which identify the impedance discontinuities in the signal. In this work, we study the statistical properties of the binary string space. In particular, we develop a Markov chain model to characterize the observed bit sequence of the binary strings. The state is defined as the number of consecutive zeros between two ones in the binarized A-scans. Since the strings are highly sparse (the number of zeros is much greater than the number of ones), defining the state this way leads to fewer number of states compared to the case where each bit is defined as a state. The number of total states is further reduced by quantizing the number of consecutive zeros. In order to identify the correct order of the Markov model, the mean square difference (MSD) between the transition matrices of mine strings and non-mine strings is calculated up to order four using training data. The results show that order one or two maximizes this MSD. The specification of the transition probabilities of the chain can be used to compute the likelihood of any given string. Such a model can be used to identify characteristic landmine strings during the training phase. These developments on modeling and characterizing the string statistics can potentially be part of a real-time landmine detection algorithm that identifies landmine and clutter in an adaptive fashion.

First principles studies of structure stability and lithium intercalation of ZnCo2 O4

NASA Astrophysics Data System (ADS)

Zhang, Yanning; Liu, Weiwei; Beijing Computational Science Research Center Team

Among the metal oxides, which are the most widely investigated alternative anodes for use in lithium ion batteries (LIBs), binary and ternary transition metal oxides have received special attention due to their high capacity values. ZnCo2O4 is a promising candidate as anode for LIB, and one can expect a total capacity corresponding to 7.0 - 8.33 mol of recyclable Li per mole of ZnCo2O4. Here we studied the structural stability, electronic properties, lithium intercalation and diffusion barrier of ZnCo2O4 through density functional calculations. The calculated structural and energetic parameters are comparable with experiments. Our theoretical studies provide insights in understanding the mechanism of lithium ion displacement reactions in this ternary metal oxide.

Binary adsorption of copper(II) and cadmium(II) from aqueous solutions by biomass of marine alga Durvillaea potatorum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Q.; Kaewsarn, P.

1999-06-01

Much work on the biosorption of heavy metals by low-cost, natural biomass has been on the uptake of single metals. In practice, wastewaters often contain multiple heavy metal ions. In this paper the binary adsorption of copper(II) and cadmium(II) by a pretreated biomass of the marine alga Durvillaea potatorum from aqueous solutions was studied. The results showed that the uptake capacities for each heavy metal of the binary system were lower when compared with the single metal biosorption for copper and cadmium, respectively, but the total capacities for the binary system were similar to those obtained for single metal biosorption.more » The uptake capacities for copper and cadmium increased as the equilibrium pH increased and reached a plateau at a pH around 5.0. The uptake process was relatively fast, with 90% of the adsorption completed within 10 minutes for copper and 30 minutes for cadmium, and equilibrium reached after about 60 minutes of stirring. The biosorption isotherms of binary systems were not significantly affected by equilibrium temperature. The presence of light metal ions in solution also did not affect adsorption significantly. The binary adsorption was successfully predicted by the extended Langmuir model, using parameters and capacities obtained from single component systems.« less

A pseudopotential approach to the superconducting state properties of Cu Zr metallic glasses

NASA Astrophysics Data System (ADS)

Sharma, Smita; Sharma, K. S.; Khan, Haniph

2004-03-01

The superconducting state properties of the nine metallic glasses of Cu1-cZrc system have been investigated in the BCS-Eliashberg-McMillan framework by extending this theory to the binary metallic glasses. The values of superconducting state parameters, namely, the electron-phonon coupling strength (lgr), Coulomb pseudopotential (mgr*), transition temperature (Tc), isotope effect exponent (agr) and interaction strength (NoV) of Cu-Zr metallic glasses in the range 0.40 \\le c \\le 0.75 of Zr in Cu have been worked out using Ashcroft's potential along with the RPA form of the dielectric screening. The present results for Tc show an excellent agreement with the experimental data. The values of Tc, agr and NoV are found to decrease continuously with increase of the Cu concentration in Zr, showing that Zr rich Cu-Zr glasses are favoured materials for superconductivity.

Role of precursor crystal structure on electrochemical performance of carbide-derived carbon electrodes

NASA Astrophysics Data System (ADS)

Palazzo, Benjamin; Norris, Zach; Taylor, Greg; Yu, Lei; Lofland, Samuel; Hettinger, Jeffrey

2015-03-01

Binary carbides with hexagonal and cubic crystal structures have been synthesized by reactive magnetron sputtering of vanadium and other transition metals in acetylene or methane gas mixed with argon. The binary carbides are converted to carbide-derived carbon (CDC) films using chlorine gas in a post-deposition process in an external vacuum reaction furnace. Residual chlorine has been removed using an annealing step in a hydrogen atmosphere. The CDC materials have been characterized by x-ray diffraction, x-ray fluorescence, and scanning electron microscopy. The performance of the CDC materials in electrochemical device applications has been measured with the hexagonal phase precursor demonstrating a significantly higher specific capacitance in comparison to that of the cubic phase. We report these results and pore-size distributions of these and similar materials.

Surface Segregation Energies of BCC Binaries from Ab Initio and Quantum Approximate Calculations

NASA Technical Reports Server (NTRS)

Good, Brian S.

2003-01-01

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy method. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameterization. Quantum approximate segregation energies are computed with and without atomistic relaxation. The ab initio calculations are performed without relaxation for the most part, but predicted relaxations from quantum approximate calculations are used in selected cases to compute approximate relaxed ab initio segregation energies. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with other quantum approximate and ab initio theoretical work, and available experimental results.

High-resolution spectroscopy of extremely metal-poor stars from SDSS/Segue. II. Binary fraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aoki, Wako; Suda, Takuma; Beers, Timothy C.

2015-02-01

The fraction of binary systems in various stellar populations of the Galaxy and the distribution of their orbital parameters are important but not well-determined factors in studies of star formation, stellar evolution, and Galactic chemical evolution. While observational studies have been carried out for a large sample of nearby stars, including some metal-poor Population II stars, almost no constraints on the binary nature for extremely metal-poor (EMP; [Fe/H] <−3.0) stars have yet been obtained. Here we investigate the fraction of double-lined spectroscopic binaries and carbon-enhanced metal-poor (CEMP) stars, many of which could have formed as pairs of low-mass and intermediate-massmore » stars, to estimate the lower limit of the fraction of binary systems having short periods. The estimate is based on a sample of very metal-poor stars selected from the Sloan Digital Sky Survey and observed at high spectral resolution in a previous study by Aoki et al. That survey reported 3 double-lined spectroscopic binaries and 11 CEMP stars, which we consider along with a sample of EMP stars from the literature compiled in the SAGA database. We have conducted measurements of the velocity components for stacked absorption features of different spectral lines for each double-lined spectroscopic binary. Our estimate indicates that the fraction of binary stars having orbital periods shorter than 1000 days is at least 10%, and possibly as high as 20% if the majority of CEMP stars are formed in such short-period binaries. This result suggests that the period distribution of EMP binary systems is biased toward short periods, unless the binary fraction of low-mass EMP stars is significantly higher than that of other nearby stars.« less

Glassy nature and glass-to-crystal transition in the binary metallic glass CuZr

NASA Astrophysics Data System (ADS)

Wei, Zi-Yang; Shang, Cheng; Zhang, Xiao-Jie; Liu, Zhi-Pan

2017-06-01

The prediction for the stability of glassy material is a key challenge in physical science. Here, we report a theoretical framework to predict the glass stability based on stochastic surface walking global optimization and reaction pathway sampling. This is demonstrated by revealing for the first time the global potential energy surface (PES) of two systems, CuZr binary metallic glass and nonglassy pure Cu systems, and establishing the lowest energy pathways linking glassy/amorphous structures with crystalline structures. The CuZr system has a significant number of glassy structures on PES that are ˜0.045 eV /atom above the crystal structure. Two clear trends are identified from global PES in the glass-to-crystal transition of the CuZr system: (i) the local Zr-Cu coordination (nearest neighbor) increases, and (ii) the local Zr bonding environment becomes homogeneous. This allows us to introduce quantitative structural and energetics conditions to distinguish the glassy structures from the crystalline structures. Because of the local Zr-Cu exchange in the glass-to-crystal transition, a high reaction barrier (>0.048 eV /atom ) is present to separate the glassy structures and the crystals in CuZr. By contrast, the Cu system, although it does possess amorphous structures that appear at much higher energy (˜0.075 eV /atom ) with respect to the crystal structure, has very low reaction barriers for the crystallization of amorphous structures, i.e. <0.011 eV /atom . The quantitative data on PES now available from global optimization techniques deepens our understanding on the microscopic nature of glassy material and might eventually facilitate the design of stable glassy materials.

Endohedral gallide cluster superconductors and superconductivity in ReGa5.

PubMed

Xie, Weiwei; Luo, Huixia; Phelan, Brendan F; Klimczuk, Tomasz; Cevallos, Francois Alexandre; Cava, Robert Joseph

2015-12-22

We present transition metal-embedded (T@Gan) endohedral Ga-clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2Ga9 are all previously known superconductors. The well-known exotic superconductor PuCoGa5 and related phases are also members of this endohedral gallide cluster family. We show that electron-deficient compounds like Mo8Ga41 prefer architectures with vertex-sharing gallium clusters, whereas electron-rich compounds, like PdGa5, prefer edge-sharing cluster architectures. The superconducting transition temperatures are highest for the electron-poor, corner-sharing architectures. Based on this analysis, the previously unknown endohedral cluster compound ReGa5 is postulated to exist at an intermediate electron count and a mix of corner sharing and edge sharing cluster architectures. The empirical prediction is shown to be correct and leads to the discovery of superconductivity in ReGa5. The Fermi levels for endohedral gallide cluster compounds are located in deep pseudogaps in the electronic densities of states, an important factor in determining their chemical stability, while at the same time limiting their superconducting transition temperatures.

Texture and microstructure evolution in single-phase Ti{sub x}Ta{sub 1-x}N alloys of rocksalt structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koutsokeras, L. E.; Department of Materials Science and Engineering, University of Ioannina, GR-45100 Ioannina; Abadias, G.

2011-08-15

The mechanisms controlling the structural and morphological features (texture and microstructure) of ternary transition metal nitride thin films of the Ti{sub x}Ta{sub 1-x}N system, grown by various physical vapor deposition techniques, are reported. Films deposited by pulsed laser deposition, dual cathode magnetron sputtering, and dual ion beam sputtering have been investigated by means of x-ray diffraction in various geometries and scanning electron microscopy. We studied the effects of composition, energetic, and kinetics in the evolution of the microstructure and texture of the films. We obtain films with single and mixed texture as well as films with columnar ''zone-T'' and globularmore » type morphology. The results have shown that the texture evolution of ternary transition metal nitrides as well as the microstructural features of such films can be well understood in the framework of the kinetic mechanisms proposed for their binary counterparts, thus giving these mechanisms a global application.« less

Thermodynamic Stability of Transition Metal Substituted LiMn 2-xMxO 4 (M=Cr, Fe, Co, and Ni) Spinels

NASA Astrophysics Data System (ADS)

Lai, Chenying

The formation enthalpies from binary oxides of LiMn2O 4, LiMn2-xCrxO4 (x = 0.25, 0.5, 0.75 and 1), LiMn2-xFexO4 (x = 0.25 and 0.5), LiMn2-xCoxO4 (x = 0.25, 0.5, and 0.75) and LiMn1.75Ni 0.25O4 at 25 °C have been measured by high-temperature oxide-melt-solution calorimetry and were found to be strongly exothermic. Increasing Cr, Co and Ni content leads to more thermodynamically stable spinels, but increasing Fe content does not significantly affect the stability. The formation enthalpies from oxides of the fully substituted spinels, LiMnMO 4 (M = Cr, Fe and Co) become more exothermic (implying increasing stability) with decreasing ionic radius of the metal and lattice parameters of the spinel. The trend in enthalpy versus metal content is roughly linear, suggesting a close-to-zero heat of mixing in LiMn2O4 - LiMnMO 4 solid solutions. These data confirm that transition metal doping is beneficial for stabilizing these potential cathode materials for lithium-ion batteries.

Widom Lines in Binary Mixtures of Supercritical Fluids.

PubMed

Raju, Muralikrishna; Banuti, Daniel T; Ma, Peter C; Ihme, Matthias

2017-06-08

Recent experiments on pure fluids have identified distinct liquid-like and gas-like regimes even under supercritical conditions. The supercritical liquid-gas transition is marked by maxima in response functions that define a line emanating from the critical point, referred to as Widom line. However, the structure of analogous state transitions in mixtures of supercritical fluids has not been determined, and it is not clear whether a Widom line can be identified for binary mixtures. Here, we present first evidence for the existence of multiple Widom lines in binary mixtures from molecular dynamics simulations. By considering mixtures of noble gases, we show that, depending on the phase behavior, mixtures transition from a liquid-like to a gas-like regime via distinctly different pathways, leading to phase relationships of surprising complexity and variety. Specifically, we show that miscible binary mixtures have behavior analogous to a pure fluid and the supercritical state space is characterized by a single liquid-gas transition. In contrast, immiscible binary mixture undergo a phase separation in which the clusters transition separately at different temperatures, resulting in multiple distinct Widom lines. The presence of this unique transition behavior emphasizes the complexity of the supercritical state to be expected in high-order mixtures of practical relevance.

The signature of a black hole transit

NASA Technical Reports Server (NTRS)

Dolan, Joseph F.

1989-01-01

This paper considers the possibility of identifying a black hole on the basis of the detection of some unique effect occurring during the transit of a black hole across the stellar disk of a companion star in a binary system. The results of Monte-Carlo calculations show that the amplitude of the photometric and polarimetric light curves in a typical X-ray binary is too small to be observed with present instrumentation, but that a black hole transit might be detectable in a binary having a large separation of the components. No binary system suggested as containing a stellar-mass-sized black hole is a like candidate to exhibit an observable transit signature, with the possible exception of X Persei/4U0352+30 described by White et al. (1976).

Structure-Reactivity Relationships in Multi-Component Transition Metal Oxide Catalysts FINAL Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Altman, Eric I.

2015-10-06

The focus of the project was on developing an atomic-level understanding of how transition metal oxide catalysts function. Over the course of several renewals the specific emphases shifted from understanding how local structure and oxidation state affect how molecules adsorb and react on the surfaces of binary oxide crystals to more complex systems where interactions between different transition metal oxide cations in an oxide catalyst can affect reactivity, and finally to the impact of cluster size on oxide stability and reactivity. Hallmarks of the work were the use of epitaxial growth methods to create surfaces relevant to catalysis yet tractablemore » for fundamental surface science approaches, and the use of scanning tunneling microscopy to follow structural changes induced by reactions and to pinpoint adsorption sites. Key early findings included the identification of oxidation and reduction mechanisms on a tungsten oxide catalyst surface that determine the sites available for reaction, identification of C-O bond cleavage as the rate limiting step in alcohol dehydration reactions on the tungsten oxide surface, and demonstration that reduction does not change the favored reaction pathway but rather eases C-O bond cleavage and thus reduces the reaction barrier. Subsequently, a new reconstruction on the anatase phase of TiO 2 relevant to catalysis was discovered and shown to create sites with distinct reactivity compared to other TiO 2 surfaces. Building on this work on anatase, the mechanism by which TiO 2 enhances the reactivity of vanadium oxide layers was characterized and it was found that the TiO 2 substrate can force thin vanadia layers to adopt structures they would not ordinarily form in the bulk which in turn creates differences in reactivity between supported layers and bulk samples. From there, the work progressed to studying well-defined ternary oxides where synergistic effects between the two cations can induce catalytic properties not seen for the individual binary oxides and to the structure and properties of transition metal oxide clusters. For the latter, surprising results were found including the observation that small clusters can actually be orders of magnitude more difficult than bulk materials to oxidize and that even weak substrate interactions can dictate the structure and reactivity of the oxide clusters. It was shown that these results could be explained in terms of simple thermodynamic arguments that extend to materials beyond the Co oxide system studied.« less

Dynamical, structural and chemical heterogeneities in a binary metallic glass-forming liquid

NASA Astrophysics Data System (ADS)

Puosi, F.; Jakse, N.; Pasturel, A.

2018-04-01

As it approaches the glass transition, particle motion in liquids becomes highly heterogeneous and regions with virtually no mobility coexist with liquid-like domains. This complex dynamic is believed to be responsible for different phenomena including non-exponential relaxation and the breakdown of the Stokes-Einstein relation. Understanding the relationships between dynamical heterogeneities and local structure in metallic liquids and glasses is a major scientific challenge. Here we use classical molecular dynamics simulations to study the atomic dynamics and microscopic structure of Cu50Zr50 alloy in the supercooling regime. Dynamical heterogeneities are identified via an isoconfigurational analysis. We demonstrate the transition from isolated to clustering low mobility with decreasing temperature. These slow clusters, whose sizes grow upon cooling, are also associated with concentration fluctuations, characterized by a Zr-enriched phase, with a composition CuZr2 . In addition, a structural analysis of slow clusters based on Voronoi tessellation evidences an increase with respect of the bulk system of the fraction of Cu atoms having a local icosahedral order. These results are in agreement with the consolidated scenario of the relevant role played by icosahedral order in the dynamic slowing-down in supercooled metal alloys.

State-change in the "transition" binary millisecond pulsar J1023+0038

NASA Astrophysics Data System (ADS)

Stappers, B. W.; Archibald, A.; Bassa, C.; Hessels, J.; Janssen, G.; Kaspi, V.; Lyne, A.; Patruno, A.; Hill, A. B.

2013-10-01

We report a change in the state of PSR J1023+0038, a source which is believed to be transitioning from an X-ray binary to an eclipsing binary radio millisecond pulsar (Archibald et al. 2009, Science, 324, 1411). The system was known to contain an accretion disk in 2001 but has shown no signs of it, or of accretion, since then, rather exhibiting all the properties of an eclipsing binary millisecond radio pulsar (MSP).

Electrical properties of materials for high temperature strain gage applications

NASA Technical Reports Server (NTRS)

Brittain, John O.

1989-01-01

A study was done on the electrical resistance of materials that are potentially useful as resistance strain gages at high temperatures under static strain conditions. Initially a number of binary alloys were investigated. Later, third elements were added to these alloys, all of which were prepared by arc melting. Several transition metals were selected for experimentation, most prepared as thin films. Difficulties with electrical contacts thwarted efforts to extend measurements to the targeted 1000 C, but results obtained did suggest ways of improving the electrical resistance characteristics of certain materials.

Cellular-dendritic transition in directionally solidified binary alloys

NASA Technical Reports Server (NTRS)

Tewari, S. N.; Laxmanan, V.

1987-01-01

The microstructural development of binary alloys during directional solidification is studied. Cellular growth data for the Al-Cu and Pb-Sn binary alloy systems are analyzed in order evaluate the criteria of Kurz and Fisher (1981) and Trivedi (1984) for cellular-dendritic transition. It is observed that the experimental growth values do not correlate with the Kurz and Fisher or Trivedi data.

Facile synthesis of multi-shell structured binary metal oxide powders with a Ni/Co mole ratio of 1:2 for Li-Ion batteries

NASA Astrophysics Data System (ADS)

Choi, Seung Ho; Park, Sun Kyu; Lee, Jung-Kul; Kang, Yun Chan

2015-06-01

Multi-shell structured binary transition metal oxide powders with a Ni/Co mole ratio of 1:2 are prepared by a simple spray drying process. Precursor powder particles prepared by spray drying from a spray solution of citric acid and ethylene glycol have completely spherical shape, fine size, and a narrow size distribution. The precursor powders turn into multi-shell powders after a post heat-treatment at temperatures between 250 and 800 °C. The multi-shell structured powders are formed by repeated combustion and contraction processes. The multi-shell powders have mixed crystal structures of Ni1-xCo2O4-x and NiO phases regardless of the post-treatment temperature. The reversible capacities of the powders post-treated at 250, 400, 600, and 800 °C after 100 cycles are 584, 913, 808, and 481 mA h g-1, respectively. The low charge transfer resistance and high lithium ion diffusion rate of the multi-shell powders post-treated at 400 °C with optimum grain size result in superior electrochemical properties even at high current densities.

Endohedral gallide cluster superconductors and superconductivity in ReGa5

PubMed Central

Xie, Weiwei; Luo, Huixia; Phelan, Brendan F.; Klimczuk, Tomasz; Cevallos, Francois Alexandre; Cava, Robert Joseph

2015-01-01

We present transition metal-embedded (T@Gan) endohedral Ga-clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2Ga9 are all previously known superconductors. The well-known exotic superconductor PuCoGa5 and related phases are also members of this endohedral gallide cluster family. We show that electron-deficient compounds like Mo8Ga41 prefer architectures with vertex-sharing gallium clusters, whereas electron-rich compounds, like PdGa5, prefer edge-sharing cluster architectures. The superconducting transition temperatures are highest for the electron-poor, corner-sharing architectures. Based on this analysis, the previously unknown endohedral cluster compound ReGa5 is postulated to exist at an intermediate electron count and a mix of corner sharing and edge sharing cluster architectures. The empirical prediction is shown to be correct and leads to the discovery of superconductivity in ReGa5. The Fermi levels for endohedral gallide cluster compounds are located in deep pseudogaps in the electronic densities of states, an important factor in determining their chemical stability, while at the same time limiting their superconducting transition temperatures. PMID:26644566

Measuring the Number of M Dwarfs per M Dwarf Using Kepler Eclipsing Binaries

NASA Astrophysics Data System (ADS)

Shan, Yutong; Johnson, John A.; Morton, Timothy D.

2015-11-01

We measure the binarity of detached M dwarfs in the Kepler field with orbital periods in the range of 1-90 days. Kepler’s photometric precision and nearly continuous monitoring of stellar targets over time baselines ranging from 3 months to 4 years make its detection efficiency for eclipsing binaries nearly complete over this period range and for all radius ratios. Our investigation employs a statistical framework akin to that used for inferring planetary occurrence rates from planetary transits. The obvious simplification is that eclipsing binaries have a vastly improved detection efficiency that is limited chiefly by their geometric probabilities to eclipse. For the M-dwarf sample observed by the Kepler Mission, the fractional incidence of eclipsing binaries implies that there are {0.11}-0.04+0.02 close stellar companions per apparently single M dwarf. Our measured binarity is higher than previous inferences of the occurrence rate of close binaries via radial velocity techniques, at roughly the 2σ level. This study represents the first use of eclipsing binary detections from a high quality transiting planet mission to infer binary statistics. Application of this statistical framework to the eclipsing binaries discovered by future transit surveys will establish better constraints on short-period M+M binary rate, as well as binarity measurements for stars of other spectral types.

Spectroscopic study of the strontium AM binaries HD 434 and 41 Sex A

NASA Astrophysics Data System (ADS)

Sreedhar Rao, S.; Abhyankar, K. D.

1992-10-01

Improved spectroscopic orbital elements of the single-line Am binary HD 434 are presented, and cover large gaps in the radial velocity curve obtained earlier by Hube and Gulliver (1985). The MK morphology of the spectrum of HD 434 is examined, and the classification of its metallic line types in the violet and blue regions, along with its revised K- and H-line spectral types, are given for the first time. The strontium anomaly in its spectrum is discussed. 41 Sex A is found to be a prototype of an Am star exhibiting transitional characteristics, forming an evolutionary link between Ap and Am groups of CP stars. Its spectroscopic orbital elements are confirmed using our own velocities. The MK morphology of its spectrum and its spectral line behavior, especially that of the Sr II 4077 line, are briefly discussed.

On the influence of tetrahedral covalent-hybridization on electronic band structure of topological insulators from first principles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, X. M.; Xu, G. Z.; Liu, E. K.

Based on first-principles calculations, we investigate the influence of tetrahedral covalent-hybridization between main-group and transition-metal atoms on the topological band structures of binary HgTe and ternary half-Heusler compounds, respectively. Results show that, for the binary HgTe, when its zinc-blend structure is artificially changed to rock-salt one, the tetrahedral covalent-hybridization will be removed and correspondingly the topologically insulating band character lost. While for the ternary half-Heusler system, the strength of covalent-hybridization can be tuned by varying both chemical compositions and atomic arrangements, and the competition between tetrahedral and octahedral covalent-hybridization has been discussed in details. As a result, we found thatmore » a proper strength of tetrahedral covalent-hybridization is probably in favor to realizing the topologically insulating state with band inversion occurring at the Γ point of the Brillouin zone.« less

Shock waves in binary oxides memristors

NASA Astrophysics Data System (ADS)

Tesler, Federico; Tang, Shao; Dobrosavljević, Vladimir; Rozenberg, Marcelo

2017-09-01

Progress of silicon based technology is nearing its physical limit, as minimum feature size of components is reaching a mere 5 nm. The resistive switching behavior of transition metal oxides and the associated memristor device is emerging as a competitive technology for next generation electronics. Significant progress has already been made in the past decade and devices are beginning to hit the market; however, it has been mainly the result of empirical trial and error. Hence, gaining theoretical insight is of essence. In the present work we report a new connection between the resistive switching and shock wave formation, a classic topic of non-linear dynamics. We argue that the profile of oxygen ions that migrate during the commutation in insulating binary oxides may form a shock wave, which propagates through a poorly conductive region of the device. We validate the scenario by means of model simulations.

New spectroscopic binary companions of giant stars and updated metallicity distribution for binary systems

NASA Astrophysics Data System (ADS)

Bluhm, P.; Jones, M. I.; Vanzi, L.; Soto, M. G.; Vos, J.; Wittenmyer, R. A.; Drass, H.; Jenkins, J. S.; Olivares, F.; Mennickent, R. E.; Vučković, M.; Rojo, P.; Melo, C. H. F.

2016-10-01

We report the discovery of 24 spectroscopic binary companions to giant stars. We fully constrain the orbital solution for 6 of these systems. We cannot unambiguously derive the orbital elements for the remaining stars because the phase coverage is incomplete. Of these stars, 6 present radial velocity trends that are compatible with long-period brown dwarf companions. The orbital solutions of the 24 binary systems indicate that these giant binary systems have a wide range in orbital periods, eccentricities, and companion masses. For the binaries with restricted orbital solutions, we find a range of orbital periods of between ~97-1600 days and eccentricities of between ~0.1-0.4. In addition, we studied the metallicity distribution of single and binary giant stars. We computed the metallicity of a total of 395 evolved stars, 59 of wich are in binary systems. We find a flat distribution for these binary stars and therefore conclude that stellar binary systems, and potentially brown dwarfs, have a different formation mechanism than planets. This result is confirmed by recent works showing that extrasolar planets orbiting giants are more frequent around metal-rich stars. Finally, we investigate the eccentricity as a function of the orbital period. We analyzed a total of 130 spectroscopic binaries, including those presented here and systems from the literature. We find that most of the binary stars with periods ≲30 days have circular orbits, while at longer orbital periods we observe a wide spread in their eccentricities. Based on observations collected at La Silla - Paranal Observatory under programs IDs IDs 085.C-0557, 087.C.0476, 089.C-0524, 090.C-0345, 096.A-9020 and through the Chilean Telescope Time under programs IDs CN2012A-73, CN2012B-47, CN2013A-111, CN2013B-51, CN2014A-52 and CN2015A-48.

Metal biosorption equilibria in a ternary system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chong, K.H.; Volesky, B.

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 andmore » with conclusions postulated from the three possible binary subsystems.« less

Rapid microwave-assisted preparation of binary and ternary transition metal sulfide compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Butala, Megan M.; Perez, Minue A.; Arnon, Shiri

Transition metal chalcogenides are of interest for energy applications, including energy generation in photoelectrochemical cells and as electrodes for next-generation electrochemical energy storage. Synthetic routes for such chalcogenides typically involve extended heating at elevated temperatures for multiple weeks. We demonstrate here the feasibility of rapidly preparing select sulfide compounds in a matter of minutes, rather than weeks, using microwave-assisted heating in domestic microwaves. We report the preparations of phase pure FeS2, CoS2, and solid solutions thereof from the elements with only 40 min of heating. Conventional furnace and rapid microwave preparations of CuTi2S4 both result in a majority of themore » targeted phase, even with the significantly shorter heating time of 40 min for microwave methods relative to 12 days using a conventional furnace. The preparations we describe for these compounds can be extended to related structures and chemistries and thus enable rapid screening of the properties and performance of various compositions of interest for electronic, optical, and electrochemical applications.« less

Synthesis and Characterization of Low-Cost Superhard Transition-Metal Borides

NASA Astrophysics Data System (ADS)

Kaner, Richard

2013-06-01

The increasing demand for high-performance cutting and forming tools, along with the shortcomings of traditional tool materials such as diamond (unable to cut ferrous materials), cubic boron nitride (expensive) and tungsten carbide (relatively-low hardness), has motivated the search for new superhard materials for these applications. This has led us to a new class of superhard materials, dense refractory transition-metal borides, which promise to address some of the existing problems of conventional superhard materials. For example, we have synthesized rhenium diboride (ReB2) using arc melting at ambient pressure. This superhard material has demonstrated an excellent electrical conductivity and superior mechanical properties, including a Vickers hardness of 48.0 GPa (under an applied load of 0.49 N). To further increase the hardness and lower the materials costs, we have begun exploring high boron content metal borides including tungsten tetraboride (WB4) . We have synthesized WB4 by arc melting and studied its hardness and high-pressure behavior. With a similar Vickers hardness (43.3 GPa under a load of 0.49 N) and bulk modulus (326-339 GPa) to ReB2, WB4 offers a lower cost alternative and has the potential to be used in cutting tools. To further enhance the hardness of this superhard metal, we have created the binary and ternary solid solutions of WB4 with Cr, Mn and Ta, the results of which show a hardness increase of up to 20 percent. As with other metals, these metallic borides can be readily cut and shaped using electric discharge machining (EDM).

OV Bootis: Forty Nights Of World-Wide Photometry

NASA Astrophysics Data System (ADS)

Patterson, Joseph; de Miguel, Enrique; Barret, Douglas; Brincat, Stephen; Boardman, James, Jr.; Buczynski, Denis; Campbell, Tut; Cejudo, David; Cook, Lew; Cook, Michael J.; Collins, Donald; Cooney, Walt; Dubois, Franky; Dvorak, Shawn; Halpern, Jules P.; Kroes, Anthony J.; Lemay, Damien; Licchelli, Domenico; Mankel, Dylan; Marshall, Matt; Novak, Rudolf; Oksanen, Arto; Roberts, George; Seargeant, Jim; Sears, Huei; Silcox, Austin; Slauson, Douglas; Stone, Geoff; Thorstensen, J. R.; Ulowetz, Joe; Vanmunster, Tonny; Wallgren, John; Wood, Matt

2017-06-01

Among the 1000 known cataclysmic variables, only one appears to belong to the "Galactic halo" - the Population II stars. We report round-the-world photometry of this star (OV Boo) during March-April 2017, when it staged its first certified dwarf-nova outburst. The star is remarkable for its short binary period (66 minutes), high proper motion, metal-poor composition, substellar secondary, sharp white-dwarf eclipses, and nonradial pulsations. Something for everybody...... and it even had the good manners to erupt in northern springtime, when it transits near local midnight. Move over, SS Cyg and WZ Sge; there's a new celebrity in town!

A strange dwarf scenario for the formation of the peculiar double white dwarf binary SDSS J125733.63+542850.5

NASA Astrophysics Data System (ADS)

Jiang, Long; Chen, Wen-Cong; Li, Xiang-Dong

2018-05-01

The Hubble Space Telescope observation of the double white dwarf (WD) binary SDSS J125733.63+542850.5 reveals that the massive WD has a surface gravity log g1 ˜ 8.7 (which implies a mass of M1 ˜ 1.06 M⊙) and an effective temperature T1 ˜ 13 000 K, while the effective temperature of the low-mass WD (M2 < 0.24 M⊙) is T2 ˜ 6400K. Therefore, the massive and the low-mass WDs have a cooling age τ1 ˜ 1 Gyr and τ2 ≥ 5 Gyr, respectively. This is in contradiction with traditional binary evolution theory. In this paper, we propose a strange dwarf (SD) scenario to explain the formation of this double WD binary. We assume that the massive WD is a SD originating from a phase transition (PT) in a ˜1.1 M⊙ WD, which has experienced accretion and spin-down processes. Its high effective temperature could arise from the heating process during the PT. Our simulations suggest that the progenitor of SDSS J125733.63+542850.5 can be a binary system consisting of a 0.65 M⊙ WD and a 1.5 M⊙ main-sequence star in a 1.492 d orbit. Especially, the secondary star (i.e. the progenitor of the low-mass WD) is likely to have an ultra-low metallicity of Z = 0.0001.

In-situ synthesized ZnFe2O4 firmly anchored to the surface of MWCNTs as a long-life anode material with high lithium storage performance

NASA Astrophysics Data System (ADS)

Yang, Tianbo; Zhang, Wanxi; Li, Linlin; Jin, Bo; Jin, Enmei; Jeong, Sangmoon; Jiang, Qing

2017-12-01

Because of two different metal cations in the crystal structures, binary transition metal oxides possess a lot of unique properties. ZnFe2O4 emerges from these transition metal oxides on account of its high theoretical capacity (1072 mAh g-1). One-dimensional multi-walled carbon nanotubes (MWCNTs) would be a desirable conductive additive for ZnFe2O4, thereby improving the electrochemical performance of ZnFe2O4. In this work, we prepare ZnFe2O4/MWCNTs by solvothermal method with further heat-treatment. ZnFe2O4 nanoparticles are firmly anchored to the surface of MWCNTs. ZnFe2O4/MWCNTs nanocomposite displays high specific capacity (1278 mAh g-1 at a current density of 200 mA g-1 after 200 cycles, and 565 mAh g-1 at a current density of 1500 mA g-1 after 500 cycles), and good rate performance (367 mAh g-1 even at a current density of 6000 mAh g-1 after 80 cycles). The superior electrochemical performance may promote ZnFe2O4 to be a promising alternative anode in lithium-ion batteries.

Emerging ferroelectric transistors with nanoscale channel materials: the possibilities, the limitations

NASA Astrophysics Data System (ADS)

Hong, Xia

2016-03-01

Combining the nonvolatile, locally switchable polarization field of a ferroelectric thin film with a nanoscale electronic material in a field effect transistor structure offers the opportunity to examine and control a rich variety of mesoscopic phenomena and interface coupling. It is also possible to introduce new phases and functionalities into these hybrid systems through rational design. This paper reviews two rapidly progressing branches in the field of ferroelectric transistors, which employ two distinct classes of nanoscale electronic materials as the conducting channel, the two-dimensional (2D) electron gas graphene and the strongly correlated transition metal oxide thin films. The topics covered include the basic device physics, novel phenomena emerging in the hybrid systems, critical mechanisms that control the magnitude and stability of the field effect modulation and the mobility of the channel material, potential device applications, and the performance limitations of these devices due to the complex interface interactions and challenges in achieving controlled materials properties. Possible future directions for this field are also outlined, including local ferroelectric gate control via nanoscale domain patterning and incorporating other emergent materials in this device concept, such as the simple binary ferroelectrics, layered 2D transition metal dichalcogenides, and the 4d and 5d heavy metal compounds with strong spin-orbit coupling.

Biases in Planet Occurrence Caused by Unresolved Binaries in Transit Surveys

NASA Astrophysics Data System (ADS)

Bouma, L. G.; Masuda, Kento; Winn, Joshua N.

2018-06-01

Wide-field surveys for transiting planets, such as the NASA Kepler and TESS missions, are usually conducted without knowing which stars have binary companions. Unresolved and unrecognized binaries give rise to systematic errors in planet occurrence rates, including misclassified planets and mistakes in completeness corrections. The individual errors can have different signs, making it difficult to anticipate the net effect on inferred occurrence rates. Here, we use simplified models of signal-to-noise limited transit surveys to try and clarify the situation. We derive a formula for the apparent occurrence rate density measured by an observer who falsely assumes all stars are single. The formula depends on the binary fraction, the mass function of the secondary stars, and the true occurrence of planets around primaries, secondaries, and single stars. It also takes into account the Malmquist bias by which binaries are over-represented in flux-limited samples. Application of the formula to an idealized Kepler-like survey shows that for planets larger than 2 R ⊕, the net systematic error is of order 5%. In particular, unrecognized binaries are unlikely to be the reason for the apparent discrepancies between hot-Jupiter occurrence rates measured in different surveys. For smaller planets the errors are potentially larger: the occurrence of Earth-sized planets could be overestimated by as much as 50%. We also show that whenever high-resolution imaging reveals a transit host star to be a binary, the planet is usually more likely to orbit the primary star than the secondary star.

Experimentally demonstrate the surface state and optical topological phase transition of one dimensional hyperbolic metamaterials in Otto and KR configuration (Conference Presentation)

NASA Astrophysics Data System (ADS)

Wei, Chih Chung; Un, Leng-Wai; Yen, Ta-Jen

2017-05-01

One-dimension hyperbolic metamaterials (1DHMMs) possess marvelous and considerable applications: hyperlens, spontaneous emission engineering and nonlinear optics. Conventionally, effective medium theory, which is only valid for long wavelength limit, was used to predict and analyze the optical properties and applications. In our previous works, we considered a binary 1DHMM which consists of alternative metallic and dielectric layers, and rigorously demonstrated the existence of surface states and bulk-interface correspondence with the plasmonic band theory from the coupled surface plasmon point of view. In the plasmonic band structure, we can classify 1DHMMs into two classes: metallic-like and dielectric-like, depending on the formation of the surface states with dielectric and metallic material, respectively. Band crossing exists only when the dielectric layers are thicker than the metallic ones, which is independent from the dielectric constants. Furthermore, the 1DHMMs are all metallic-like without band crossing. On the other hand, the 1DHMMs with band crossing are metal-like before the band crossing point, while they are dielectric-like after the band crossing point. In this work, we measure the surface states formed by dielectric material and 1DHMMs with band crossing in Otto configuration. With white light source and fixed incident angle, we measure the reflectance to investigate the existence of the surface states of 1DHMMs with various thickness ratio of metallic to dielectric layers. Conclusively, our results show that the surface states of 1DHMMs exist only when the thickness ratio is larger than 0.15. The disappearance of the surface states indicates the topological phase transition of 1DHMMs. Our experimental results will benefit new applications for manipulating light on the surface of hyperbolic metamaterials.

A library of atomically thin metal chalcogenides.

PubMed

Zhou, Jiadong; Lin, Junhao; Huang, Xiangwei; Zhou, Yao; Chen, Yu; Xia, Juan; Wang, Hong; Xie, Yu; Yu, Huimei; Lei, Jincheng; Wu, Di; Liu, Fucai; Fu, Qundong; Zeng, Qingsheng; Hsu, Chuang-Han; Yang, Changli; Lu, Li; Yu, Ting; Shen, Zexiang; Lin, Hsin; Yakobson, Boris I; Liu, Qian; Suenaga, Kazu; Liu, Guangtong; Liu, Zheng

2018-04-01

Investigations of two-dimensional transition-metal chalcogenides (TMCs) have recently revealed interesting physical phenomena, including the quantum spin Hall effect 1,2 , valley polarization 3,4 and two-dimensional superconductivity 5 , suggesting potential applications for functional devices 6-10 . However, of the numerous compounds available, only a handful, such as Mo- and W-based TMCs, have been synthesized, typically via sulfurization 11-15 , selenization 16,17 and tellurization 18 of metals and metal compounds. Many TMCs are difficult to produce because of the high melting points of their metal and metal oxide precursors. Molten-salt-assisted methods have been used to produce ceramic powders at relatively low temperature 19 and this approach 20 was recently employed to facilitate the growth of monolayer WS 2 and WSe 2 . Here we demonstrate that molten-salt-assisted chemical vapour deposition can be broadly applied for the synthesis of a wide variety of two-dimensional (atomically thin) TMCs. We synthesized 47 compounds, including 32 binary compounds (based on the transition metals Ti, Zr, Hf, V, Nb, Ta, Mo, W, Re, Pt, Pd and Fe), 13 alloys (including 11 ternary, one quaternary and one quinary), and two heterostructured compounds. We elaborate how the salt decreases the melting point of the reactants and facilitates the formation of intermediate products, increasing the overall reaction rate. Most of the synthesized materials in our library are useful, as supported by evidence of superconductivity in our monolayer NbSe 2 and MoTe 2 samples 21,22 and of high mobilities in MoS 2 and ReS 2 . Although the quality of some of the materials still requires development, our work opens up opportunities for studying the properties and potential application of a wide variety of two-dimensional TMCs.

Low Pt content direct methanol fuel cell anode catalyst: nanophase PtRuNiZr

NASA Technical Reports Server (NTRS)

Whitacre, Jay F. (Inventor); Narayanan, Sekharipuram R. (Inventor)

2010-01-01

A method for the preparation of a metallic material having catalytic activity that includes synthesizing a material composition comprising a metal content with a lower Pt content than a binary alloy containing Pt but that displays at least a comparable catalytic activity on a per mole Pt basis as the binary alloy containing Pt; and evaluating a representative sample of the material composition to ensure that the material composition displays a property of at least a comparable catalytic activity on a per mole Pt basis as a representative binary alloy containing Pt. Furthermore, metallic compositions are disclosed that possess substantial resistance to corrosive acids.

Roche-lobe overflow systems powered by black holes in young star clusters: the importance of dynamical exchanges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mapelli, Michela; Zampieri, Luca, E-mail: michela.mapelli@oapd.inaf.it

2014-10-10

We have run 600 N-body simulations of intermediate-mass (∼3500 M {sub ☉}) young star clusters (SCs; with three different metallicities (Z = 0.01, 0.1, and 1 Z {sub ☉}). The simulations include the dependence of stellar properties and stellar winds on metallicity. Massive stellar black holes (MSBHs) with mass >25 M {sub ☉} are allowed to form through direct collapse of very massive metal-poor stars (Z < 0.3 Z {sub ☉}). We focus on the demographics of black hole (BH) binaries that undergo mass transfer via Roche lobe overflow (RLO). We find that 44% of all binaries that undergo anmore » RLO phase (RLO binaries) formed through dynamical exchange. RLO binaries that formed via exchange (RLO-EBs) are powered by more massive BHs than RLO primordial binaries (RLO-PBs). Furthermore, the RLO-EBs tend to start the RLO phase later than the RLO-PBs. In metal-poor SCs (0.01-0.1 Z {sub ☉}), >20% of all RLO binaries are powered by MSBHs. The vast majority of RLO binaries powered by MSBHs are RLO-EBs. We have produced optical color-magnitude diagrams of the simulated RLO binaries, accounting for the emission of both the donor star and the irradiated accretion disk. We find that RLO-PBs are generally associated with bluer counterparts than RLO-EBs. We compare the simulated counterparts with the observed counterparts of nine ultraluminous X-ray sources. We discuss the possibility that IC 342 X-1, Ho IX X-1, NGC 1313 X-2, and NGC 5204 X-1 are powered by an MSBH.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhuang Quntao; Gao Xun; Yu Qingjuan, E-mail: yuqj@pku.edu.cn

In this paper, we study possible signatures of binary planets or exomoons on the Rossiter-McLaughlin (R-M) effect. Our analyses show that the R-M effect for a binary planet or an exomoon during its complete transit phase can be divided into two parts. The first is the conventional one similar to the R-M effect from the transit of a single planet, of which the mass and the projected area are the combinations of the binary components; the second is caused by the orbital rotation of the binary components, which may add a sine- or linear-mode deviation to the stellar radial velocitymore » curve. We find that the latter effect can be up to several ten m s{sup -1}. Our numerical simulations as well as analyses illustrate that the distribution and dispersion of the latter effects obtained from multiple transit events can be used to constrain the dynamical configuration of the binary planet, such as how the inner orbit of the binary planet is inclined to its orbit rotating around the central star. We find that the signatures caused by the orbital rotation of the binary components are more likely to be revealed if the two components of a binary planet have different masses and mass densities, especially if the heavy one has a high mass density and the light one has a low density. Similar signatures on the R-M effect may also be revealed in a hierarchical triple star system containing a dark compact binary and a tertiary star.« less

Thermodynamic Parameters of Cholesteric/Smectic A Transition in Cholesteric Myristate and Its Binary Mixture CM/PCPB

NASA Astrophysics Data System (ADS)

Yurtseven, H.; Dogan, E. Kilit

2018-06-01

Thermodynamic properties of the cholesteryl myristate (CM) and its binary mixture CM/PCPB ( p-pentylphenyl-2-chloro-4( p-pentylbenzoyl)-benzoate) are studied at the concentrations of x PCPB = 0.052 and 0.219 as a function of temperature near the cholosteric/smectic A transition. By analyzing the observed molar volume from the literature, the temperature dependences of the thermal expansion, isothermal compressibility and the difference in the specific heat are calculated and, the Pippard relations are established for those compounds close to the cholesteric/smectic A transition. Predictions of the thermodynamic quantities and the Pippard relations can be examined by the experimental measurements of the CM and its binary mixture of CM/PCPB close to the cholesteric/smectic A transition.

Experimental formation enthalpies for intermetallic phases and other inorganic compounds

PubMed Central

Kim, George; Meschel, S. V.; Nash, Philip; Chen, Wei

2017-01-01

The standard enthalpy of formation of a compound is the energy associated with the reaction to form the compound from its component elements. The standard enthalpy of formation is a fundamental thermodynamic property that determines its phase stability, which can be coupled with other thermodynamic data to calculate phase diagrams. Calorimetry provides the only direct method by which the standard enthalpy of formation is experimentally measured. However, the measurement is often a time and energy intensive process. We present a dataset of enthalpies of formation measured by high-temperature calorimetry. The phases measured in this dataset include intermetallic compounds with transition metal and rare-earth elements, metal borides, metal carbides, and metallic silicides. These measurements were collected from over 50 years of calorimetric experiments. The dataset contains 1,276 entries on experimental enthalpy of formation values and structural information. Most of the entries are for binary compounds but ternary and quaternary compounds are being added as they become available. The dataset also contains predictions of enthalpy of formation from first-principles calculations for comparison. PMID:29064466

Design and functionalization of photocatalytic systems within mesoporous silica.

PubMed

Qian, Xufang; Fuku, Kojirou; Kuwahara, Yasutaka; Kamegawa, Takashi; Mori, Kohsuke; Yamashita, Hiromi

2014-06-01

In the past decades, various photocatalysts such as TiO2, transition-metal-oxide moieties within cavities and frameworks, or metal complexes have attracted considerable attention in light-excited catalytic processes. Owing to high surface areas, transparency to UV and visible light as well as easily modified surfaces, mesoporous silica-based materials have been widely used as excellent hosts for designing efficient photocatalytic systems under the background of environmental remediation and solar-energy utilization. This Minireview mainly focuses on the surface-chemistry engineering of TiO2/mesoporous silica photocatalytic systems and fabrication of binary oxides and nanocatalysts in mesoporous single-site-photocatalyst frameworks. Recently, metallic nanostructures with localized surface plasmon resonance (LSPR) have been widely studied in catalytic applications harvesting light irradiation. Accordingly, silver and gold nanostructures confined in mesoporous silica and their corresponding catalytic activity enhanced by the LSPR effect will be introduced. In addition, the integration of metal complexes within mesoporous silica materials for the construction of functional inorganic-organic supramolecular photocatalysts will be briefly described. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

SOPHIE velocimetry of Kepler transit candidates. XII. KOI-1257 b: a highly eccentric three-month period transiting exoplanet

NASA Astrophysics Data System (ADS)

Santerne, A.; Hébrard, G.; Deleuil, M.; Havel, M.; Correia, A. C. M.; Almenara, J.-M.; Alonso, R.; Arnold, L.; Barros, S. C. C.; Behrend, R.; Bernasconi, L.; Boisse, I.; Bonomo, A. S.; Bouchy, F.; Bruno, G.; Damiani, C.; Díaz, R. F.; Gravallon, D.; Guillot, T.; Labrevoir, O.; Montagnier, G.; Moutou, C.; Rinner, C.; Santos, N. C.; Abe, L.; Audejean, M.; Bendjoya, P.; Gillier, C.; Gregorio, J.; Martinez, P.; Michelet, J.; Montaigut, R.; Poncy, R.; Rivet, J.-P.; Rousseau, G.; Roy, R.; Suarez, O.; Vanhuysse, M.; Verilhac, D.

2014-11-01

In this paper we report a new transiting warm giant planet: KOI-1257 b. It was first detected in photometry as a planet-candidate by the Kepler space telescope and then validated thanks to a radial velocity follow-up with the SOPHIE spectrograph. It orbits its host star with a period of 86.647661 d ± 3 s and a high eccentricity of 0.772 ± 0.045. The planet transits the main star of a metal-rich, relatively old binary system with stars of mass of 0.99 ± 0.05 M⊙ and 0.70 ± 0.07 M⊙ for the primary and secondary, respectively. This binary system is constrained thanks to a self-consistent modelling of the Kepler transit light curve, the SOPHIE radial velocities, line bisector and full-width half maximum (FWHM) variations, and the spectral energy distribution. However, future observations are needed to confirm it. The PASTIS fully-Bayesian software was used to validate the nature of the planet and to determine which star of the binary system is the transit host. By accounting for the dilution from the binary both in photometry and in radial velocity, we find that the planet has a mass of 1.45 ± 0.35 M⊙ , and a radius of 0.94 ± 0.12 R⊙ , and thus a bulk density of 2.1 ± 1.2 g cm-3. The planet has an equilibrium temperature of 511 ± 50 K, making it one of the few known members of the warm-Jupiter population. The HARPS-N spectrograph was also used to observe a transit of KOI-1257 b, simultaneously with a joint amateur and professional photometric follow-up, with the aim of constraining the orbital obliquity of the planet. However, the Rossiter-McLaughlin effect was not clearly detected, resulting in poor constraints on the orbital obliquity of the planet. Based on observations made with SOPHIE on the 1.93 m telescope at Observatoire de Haute-Provence (CNRS), France, and with the Italian Telescopio Nazionale Galileo (TNG) operated on the island of La Palma by the Fundación Galileo Galilei of the INAF (Istituto Nazionale di Astrofisica) at the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias. Part of the observations were made with the IAC80 operated on the Spanish Observatorio del Teide of the Instituto de Astrofísica de Canarias.Appendices are available in electronic form at http://www.aanda.orgFull Tables C.5-C.7 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/571/A37

Correction: A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.

PubMed

Ng, Chee Koon; Wu, Jie; Hor, T S Andy; Luo, He-Kuan

2016-12-22

Correction for 'A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide' by Chee Koon Ng et al., Chem. Commun., 2016, 52, 11842-11845.

Silver-hafnium braze alloy

DOEpatents

Stephens, Jr., John J.; Hosking, F. Michael; Yost, Frederick G.

2003-12-16

A binary allow braze composition has been prepared and used in a bonded article of ceramic-ceramic and ceramic-metal materials. The braze composition comprises greater than approximately 95 wt % silver, greater than approximately 2 wt % hafnium and less than approximately 4.1 wt % hafnium, and less than approximately 0.2 wt % trace elements. The binary braze alloy is used to join a ceramic material to another ceramic material or a ceramic material, such as alumina, quartz, aluminum nitride, silicon nitride, silicon carbide, and mullite, to a metal material, such as iron-based metals, cobalt-based metals, nickel-based metals, molybdenum-based metals, tungsten-based metals, niobium-based metals, and tantalum-based metals. A hermetic bonded article is obtained with a strength greater than 10,000 psi.

Improved half-metallic gap of zincblende half-metal superlattices with the Tran-Blaha modified Becke-Johnson density functional

NASA Astrophysics Data System (ADS)

Guo, San-Dong

2016-08-01

Binary transition-metal pnictides and chalcogenides half-metallic ferromagnetic materials with zincblende structure, being compatible with current semiconductor technology, can be used to make high-performance spintronic devices. Here, we investigate electronic structures and magnetic properties of composite structure ((CrX)2 /(YX)2 (X=As, Sb; Se, Te and Y=Ga; Zn) superlattices) of zincblende half-metallic ferromagnetism and semiconductor by using Tran and Blaha's modified Becke and Johnson (mBJ) exchange potential. Calculated results show that they all are half-metallic ferromagnets with both generalized gradient approximation (GGA) and mBJ, and the total magnetic moment per formula unit follows a Slater-Pauling-like "rule of 8". The key half-metallic gaps by using mBJ are enhanced with respect to GGA results, which is because mBJ makes the occupied minority-spin p-bands move toward lower energy, but toward higher energy for empty minority-spin Cr-d bands. When the spin-orbit coupling (SOC) is included, the spin polarization deviates from 100%, and a most reduced polarization of 98.3% for (CrSb)2 /(GaSb)2, which indicates that SOC has small effects, of the order of 1%, in the considered four kinds of superlattice.

Vulcan Identification of Eclipsing Binaries in the Kepler Field of View

NASA Astrophysics Data System (ADS)

Mjaseth, Kimberly; Batalha, N.; Borucki, W.; Caldwell, D.; Latham, D.; Martin, K. R.; Rabbette, M.; Witteborn, F.

2007-05-01

We report the discovery of 236 new eclipsing binary stars located in and around the field of view of the Kepler Mission. The binaries were identified from photometric light curves from the Vulcan exoplanet transit survey. The Vulcan camera is comprised of a modest aperture (10cm) f/2.8 Canon lens focusing a 7° x 7° field of view onto a 4096 x 4096 Kodak CCD. The system yields an hour-to-hour relative precision of 0.003 on 12th magnitude stars and saturates at 9th magnitude. The binaries have magnitudes in the range of 9.5 < V < 13.5 and periods ranging from 0.5 to 13 days. The milli-magnitude photometric precision allows detection of transits as shallow as 1%. The catalog contains a total of 273 eclipsing binary stars, including detached systems (high and low mass ratio), contact binaries, and triple systems. We present the derived orbital/transit properties, light curves, and stellar properties for selected targets. In addition, we summarize the results of radial velocity follow-up work. Support for this work came from NASA's Discovery Program and NASA's Origins of the Solar System Program.

Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeng, Zhenhua; Chan, Maria K. Y.; Zhao, Zhi-Jian

2015-08-13

Electrochemical potential/pH (Pourbaix) diagrams underpin many aqueous electrochemical processes and are central to the identification of stable phases of metals for processes ranging from electrocatalysis to corrosion. Even though standard DFT calculations are potentially powerful tools for the prediction of such diagrams, inherent errors in the description of transition metal (hydroxy)oxides, together with neglect of van der Waals interactions, have limited the reliability of such predictions for even the simplest pure metal bulk compounds, and corresponding predictions for more complex alloy or surface structures are even more challenging. In the present work, through synergistic use of a Hubbard U correction,more » a state-of-the-art dispersion correction, and a water-based bulk reference state for the calculations, these errors are systematically corrected. The approach describes the weak binding that occurs between hydroxyl-containing functional groups in certain compounds in Pourbaix diagrams, corrects for self-interaction errors in transition metal compounds, and reduces residual errors on oxygen atoms by preserving a consistent oxidation state between the reference state, water, and the relevant bulk phases. The strong performance is illustrated on a series of bulk transition metal (Mn, Fe, Co and Ni) hydroxides, oxyhydroxides, binary, and ternary oxides, where the corresponding thermodynamics of redox and (de)hydration are described with standard errors of 0.04 eV per (reaction) formula unit. The approach further preserves accurate descriptions of the overall thermodynamics of electrochemically-relevant bulk reactions, such as water formation, which is an essential condition for facilitating accurate analysis of reaction energies for electrochemical processes on surfaces. The overall generality and transferability of the scheme suggests that it may find useful application in the construction of a broad array of electrochemical phase diagrams, including both bulk Pourbaix diagrams and surface phase diagrams of interest for corrosion and electrocatalysis.« less

High-yield exfoliation of tungsten disulphide nanosheets by rational mixing of low-boiling-point solvents

NASA Astrophysics Data System (ADS)

Sajedi-Moghaddam, Ali; Saievar-Iranizad, Esmaiel

2018-01-01

Developing high-throughput, reliable, and facile approaches for producing atomically thin sheets of transition metal dichalcogenides is of great importance to pave the way for their use in real applications. Here, we report a highly promising route for exfoliating two-dimensional tungsten disulphide sheets by using binary combination of low-boiling-point solvents. Experimental results show significant dependence of exfoliation yield on the type of solvents as well as relative volume fraction of each solvent. The highest yield was found for appropriate combination of isopropanol/water (20 vol% isopropanol and 80 vol% water) which is approximately 7 times higher than that in pure isopropanol and 4 times higher than that in pure water. The dramatic increase in exfoliation yield can be attributed to perfect match between the surface tension of tungsten disulphide and binary solvent system. Furthermore, solvent molecular size also has a profound impact on the exfoliation efficiency, due to the steric repulsion.

CoAs: The line of 3 d demarcation

NASA Astrophysics Data System (ADS)

Campbell, Daniel J.; Wang, Limin; Eckberg, Chris; Graf, Dave; Hodovanets, Halyna; Paglione, Johnpierre

2018-05-01

Transition metal-pnictide compounds have received attention for their tendency to combine magnetism and unconventional superconductivity. Binary CoAs lies on the border of paramagnetism and the more complex behavior seen in isostructural CrAs, MnP, FeAs, and FeP. Here we report the properties of CoAs single crystals grown with two distinct techniques along with density functional theory calculations of its electronic structure and magnetic ground state. While all indications are that CoAs is paramagnetic, both experiment and theory suggest proximity to a ferromagnetic instability. Quantum oscillations are seen in torque measurements up to 31.5 T and support the calculated paramagnetic Fermiology.

OV Bootis: Forty Nights of World-Wide Photometry (Abstract)

NASA Astrophysics Data System (ADS)

Patterson, J.; de Miguel, E.; Barret, D.; Brincat, S.; Boardman, J., Jr.; Buczynski, D.; Campbell, T.; Cejudo, D.; Cook, L.; Cook, M. J.; Collins, D.; Cooney, W.; Dubois, F.; Dvorak, S.; Halpern, J. P.; Kroes, A. J.; Lemay, D.; Licchelli, D.; Mankel, D.; Marshall, M.; Novak, R.; Oksanen, A.; Roberts, G.; Seargeant, J.; Sears, H.; Silcox, A.; Slauson, D.; Stone, G.; Thorstensen, J. R.; Ulowetz, J.; Vanmunster, T.; Wallgren, J.; Wood, M.

2017-12-01

(Abstract only) Among the 1000 known cataclysmic variables, only one appears to belong to the "Galactic halo"-the Population II stars. We report round-the-world photometry of this star (OV Boo) during March-April 2017, when it staged its first certified dwarf-nova outburst. The star is remarkable for its short binary period (66 minutes), high proper motion, metal-poor composition, substellar secondary, sharp white-dwarf eclipses, and nonradial pulsations. Something for everybody - and it even had the good manners to erupt in northern springtime, when it transits near local midnight. Move over, SS Cyg and WZ Sge; there's a new celebrity in town!

Enhancing capacitance behaviour of CoOOH nanostructures using transition metal dopants by ambient oxidation.

PubMed

Chen, Yanhui; Zhou, Junfeng; Maguire, Pierce; O'Connell, Robert; Schmitt, Wolfgang; Li, Yonghe; Yan, Zhengguang; Zhang, Yuefei; Zhang, Hongzhou

2016-02-08

Cobalt hydrate and doped binary Co0.9M0.1OOH (M = Ni, Mn, Fe) nanorings of 100-300 nm were fabricated in solution through a facile ambient oxidation method. A transformation from Co0.9Ni0.1(OH)2 nanodiscs to hollow Co0.9Ni0.1OOH nanorings was observed with prolonged reaction time. Core-shell nanodiscs have elemental segregation with a Co(OH)2 core and Ni(OH)2 shell. Co0.9Ni0.1OOH nanorings displayed a higher electrochemical capacitance than Mn and Fe doped nanorings materials or materials with disc-like geometries.

Evolution of Optical Binary Fraction in Sparse Stellar Systems

NASA Astrophysics Data System (ADS)

Li, Zhongmu; Mao, Caiyan

2018-05-01

This work studies the evolution of the fraction of optical binary stars (OBF; not including components such as neutron stars and black holes), which is caused by stellar evolution, and the contributions of various binaries to OBF via the stellar population synthesis technique. It is shown that OBF decreases from 1 to about 0.81 for stellar populations with the Salpeter initial mass function (IMF), and to about 0.85 for the case of the Kroupa IMF, on a timescale of 15 Gyr. This result depends on metallicity, slightly. The contributions of binaries varying with mass ratio, orbital period, separation, spectral types of primary and secondary, contact degree, and pair type to OBF are calculated for stellar populations with different ages and metallicities. The contribution of different kinds of binaries to OBF depends on age and metallicity. The results can be used for estimating the global OBF of star clusters or galaxies from the fraction of a kind of binary. It is also helpful for estimating the primordial and future binary fractions of sparse stellar systems from the present observations. Our results are suitable for studying field stars, open clusters, and the outer part of globular clusters, because the OBF of such objects is affected by dynamical processes, relatively slightly, but they can also be used for giving some limits for other populations.

A possible formation channel for blue hook stars in globular cluster - II. Effects of metallicity, mass ratio, tidal enhancement efficiency and helium abundance

NASA Astrophysics Data System (ADS)

Lei, Zhenxin; Zhao, Gang; Zeng, Aihua; Shen, Lihua; Lan, Zhongjian; Jiang, Dengkai; Han, Zhanwen

2016-12-01

Employing tidally enhanced stellar wind, we studied in binaries the effects of metallicity, mass ratio of primary to secondary, tidal enhancement efficiency and helium abundance on the formation of blue hook (BHk) stars in globular clusters (GCs). A total of 28 sets of binary models combined with different input parameters are studied. For each set of binary model, we presented a range of initial orbital periods that is needed to produce BHk stars in binaries. All the binary models could produce BHk stars within different range of initial orbital periods. We also compared our results with the observation in the Teff-logg diagram of GC NGC 2808 and ω Cen. Most of the BHk stars in these two GCs locate well in the region predicted by our theoretical models, especially when C/N-enhanced model atmospheres are considered. We found that mass ratio of primary to secondary and tidal enhancement efficiency have little effects on the formation of BHk stars in binaries, while metallicity and helium abundance would play important roles, especially for helium abundance. Specifically, with helium abundance increasing in binary models, the space range of initial orbital periods needed to produce BHk stars becomes obviously wider, regardless of other input parameters adopted. Our results were discussed with recent observations and other theoretical models.

X-ray binary formation in low-metallicity blue compact dwarf galaxies

NASA Astrophysics Data System (ADS)

Brorby, M.; Kaaret, P.; Prestwich, A.

2014-07-01

X-rays from binaries in small, metal-deficient galaxies may have contributed significantly to the heating and reionization of the early Universe. We investigate this claim by studying blue compact dwarfs (BCDs) as local analogues to these early galaxies. We constrain the relation of the X-ray luminosity function (XLF) to the star formation rate (SFR) using a Bayesian approach applied to a sample of 25 BCDs. The functional form of the XLF is fixed to that found for near-solar metallicity galaxies and is used to find the probability distribution of the normalization that relates X-ray luminosity to SFR. Our results suggest that the XLF normalization for low-metallicity BCDs (12+log(O/H) < 7.7) is not consistent with the XLF normalization for galaxies with near-solar metallicities, at a confidence level 1-5 × 10- 6. The XLF normalization for the BCDs is found to be 14.5± 4.8 ({M}_{⊙}^{-1} yr), a factor of 9.7 ± 3.2 higher than for near-solar metallicity galaxies. Simultaneous determination of the XLF normalization and power-law index result in estimates of q = 21.2^{+12.2}_{-8.8} ({M}_{⊙}^{-1} yr) and α = 1.89^{+0.41}_{-0.30}, respectively. Our results suggest a significant enhancement in the population of high-mass X-ray binaries in BCDs compared to the near-solar metallicity galaxies. This suggests that X-ray binaries could have been a significant source of heating in the early Universe.

Recent progress in high performance and reliable n-type transition metal oxide-based thin film transistors

NASA Astrophysics Data System (ADS)

Kwon, Jang Yeon; Kyeong Jeong, Jae

2015-02-01

This review gives an overview of the recent progress in vacuum-based n-type transition metal oxide (TMO) thin film transistors (TFTs). Several excellent review papers regarding metal oxide TFTs in terms of fundamental electron structure, device process and reliability have been published. In particular, the required field-effect mobility of TMO TFTs has been increasing rapidly to meet the demands of the ultra-high-resolution, large panel size and three dimensional visual effects as a megatrend of flat panel displays, such as liquid crystal displays, organic light emitting diodes and flexible displays. In this regard, the effects of the TMO composition on the performance of the resulting oxide TFTs has been reviewed, and classified into binary, ternary and quaternary composition systems. In addition, the new strategic approaches including zinc oxynitride materials, double channel structures, and composite structures have been proposed recently, and were not covered in detail in previous review papers. Special attention is given to the advanced device architecture of TMO TFTs, such as back-channel-etch and self-aligned coplanar structure, which is a key technology because of their advantages including low cost fabrication, high driving speed and unwanted visual artifact-free high quality imaging. The integration process and related issues, such as etching, post treatment, low ohmic contact and Cu interconnection, required for realizing these advanced architectures are also discussed.

Carbon nanotube synthesis with different support materials and catalysts

NASA Astrophysics Data System (ADS)

Gümüş, Fatih; Yuca, Neslihan; Karatepe, Nilgün

2013-09-01

Having remarkable characteristics, carbon nanotubes (CNTs) have attracted a lot of interest. Their mechanical, electrical, thermal and chemical properties make CNTs suitable for several applications such as electronic devices, hydrogen storage, textile, drug delivery etc. CNTs have been synthesized by various methods, such as arc discharge, laser ablation and catalytic chemical vapor deposition (CCVD). In comparison with the other techniques, CCVD is widely used as it offers a promising route for mass production. High capability of decomposing hydrocarbon formation is desired for the selected catalysts. Therefore, transition metals which are in the nanometer scale are the most effective catalysts. The common transition metals that are being used are Fe, Co, Ni and their binary alloys. The impregnation of the catalysts over the support material has a crucial importance for the CNT production. In this study, the influence of the support materials on the catalytic activity of metals was investigated. CNTs have been synthesized over alumina (Al2O3), silica (SiO2) and magnesium oxide (MgO) supported Fe, Co, Fe-Co catalysts. Catalyst - support material combinations have been investigated and optimum values for each were compared. Single walled carbon nanotubes (SWCNTs) were produced at 800°C. The duration of synthesis was 30 minutes for all support materials. The synthesized materials were characterized by thermal gravimetric analysis (TGA), Raman spectroscopy and transmission electron microscopy.

A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.

PubMed

Germe, Thomas; Vörös, Judit; Jeannot, Frederic; Taillier, Thomas; Stavenger, Robert A; Bacqué, Eric; Maxwell, Anthony; Bax, Benjamin D

2018-05-04

Imidazopyrazinones (IPYs) are a new class of compounds that target bacterial topoisomerases as a basis for their antibacterial activity. We have characterized the mechanism of these compounds through structural/mechanistic studies showing they bind and stabilize a cleavage complex between DNA gyrase and DNA ('poisoning') in an analogous fashion to fluoroquinolones, but without the requirement for the water-metal-ion bridge. Biochemical experiments and structural studies of cleavage complexes of IPYs compared with an uncleaved gyrase-DNA complex, reveal conformational transitions coupled to DNA cleavage at the DNA gate. These involve movement at the GyrA interface and tilting of the TOPRIM domains toward the scissile phosphate coupled to capture of the catalytic metal ion. Our experiments show that these structural transitions are involved generally in poisoning of gyrase by therapeutic compounds and resemble those undergone by the enzyme during its adenosine triphosphate-coupled strand-passage cycle. In addition to resistance mutations affecting residues that directly interact with the compounds, we characterized a mutant (D82N) that inhibits formation of the cleavage complex by the unpoisoned enzyme. The D82N mutant appears to act by stabilizing the binary conformation of DNA gyrase with uncleaved DNA without direct interaction with the compounds. This provides general insight into the resistance mechanisms to antibiotics targeting bacterial type II topoisomerases.

Demodulator for binary-phase modulated signals having a variable clock rate

NASA Technical Reports Server (NTRS)

Wu, Ta Tzu (Inventor)

1976-01-01

Method and apparatus for demodulating binary-phase modulated signals recorded on a magnetic stripe on a card as the card is manually inserted into a card reader. Magnetic transitions are sensed as the card is read and the time interval between immediately preceeding basic transitions determines the duration of a data sampling pulse which detects the presence or absence of an intermediate transition pulse indicative of two respective logic states. The duration of the data sampling pulse is approximately 75 percent of the preceeding interval between basic transitions to permit tracking succeeding time differences in basic transition intervals of up to approximately 25 percent.

New Approach to Remove Metals from Chromated Copper Arsenate (CCA)-Treated Wood

Treesearch

Todd F. Shupe; Chung Y. Hse; Hui Pan

2012-01-01

Recovery of metals from chromated copper arsenate (CCA)-treated southern pine wood particles was investigated using binary acid solutions consisting of acetic, oxalic, and phosphoric acids in a microwave reactor. Formation of an insoluble copper oxalate complex in the binary solution containing oxalic acid was the major factor for low copper removal. Furthermore, the...

Structural and electronic properties of the V-V compounds isoelectronic to GaN and isostructural to gray arsenic

NASA Astrophysics Data System (ADS)

Yang, Zhao; Han, Dan; Chen, Guohong; Chen, Shiyou

2018-03-01

The III-V binary compound semiconductors such as GaN, GaP, InN and InP have extensive applications in various optoelectronic, microwave and power-electronic devices. Using first-principles calculation, we systematically studied the structural and electronic properties of the V-V binary compounds (BiN, BiP, SbN and SbP) that are isoelectronic to GaN, GaP, InN and InP if Bi and Sb are in the +3 valence state. Interestingly, we found that the ground-state structures of BiP, SbN and SbP have the R-3m symmetry and are isostructural to the layered structure of gray arsenic, whereas BiN prefers a different ground-state structure with the C2 symmetry. Electronic structure calculations showed that the bulk BiN is a narrow bandgap semiconductor for its bandgap is about 0.2 eV. In contrast, BiP, SbN and SbP are metallic. The layered ground-state structure of the V-V binary compounds motivates us to study the electronic properties of their few-layer structures. As the structure becomes monolayer, their bandgaps increase significantly and are all in the range from about 1 eV to 1.7 eV, which are comparative to the bandgap of the monolayer gray arsenic. The monolayer BiP, SbN and SbP have indirect bandgaps, and they show a semiconductor-metal transition as the number of layers increase. Interestingly, the monolayer BiP has the largest splitting (350 meV) of the CBM valley, and thus may have potential application in novel spintronics and valleytronics devices.

Searching for Exoplanets around X-Ray Binaries with Accreting White Dwarfs, Neutron Stars, and Black Holes

NASA Astrophysics Data System (ADS)

Imara, Nia; Di Stefano, Rosanne

2018-05-01

We recommend that the search for exoplanets around binary stars be extended to include X-ray binaries (XRBs) in which the accretor is a white dwarf, neutron star, or black hole. We present a novel idea for detecting planets bound to such mass transfer binaries, proposing that the X-ray light curves of these binaries be inspected for signatures of transiting planets. X-ray transits may be the only way to detect planets around some systems, while providing a complementary approach to optical and/or radio observations in others. Any planets associated with XRBs must be in stable orbits. We consider the range of allowable separations and find that orbital periods can be hours or longer, while transit durations extend upward from about a minute for Earth-radius planets, to hours for Jupiter-radius planets. The search for planets around XRBs could begin at once with existing X-ray observations of these systems. If and when a planet is detected around an X-ray binary, the size and mass of the planet may be readily measured, and it may also be possible to study the transmission and absorption of X-rays through its atmosphere. Finally, a noteworthy application of our proposal is that the same technique could be used to search for signals from extraterrestrial intelligence. If an advanced exocivilization placed a Dyson sphere or similar structure in orbit around the accretor of an XRB in order to capture energy, such an artificial structure might cause detectable transits in the X-ray light curve.

Separation of Pr and Nd from La in chloride solution by extraction with a mixture of Cyanex 272 and Alamine 336

NASA Astrophysics Data System (ADS)

Liu, Yang; Jeon, Ho Seok; Lee, Man Seung

2015-09-01

The possibility of separation of Pr and Nd from La in a chloride leaching solution of monazite sand has been investigated by using a binary mixture of Cyanex 272 (bis(2,4,4-trimethylpentyl) phosphinic acid) and Alamine 336 (tri-octyl/decyl amine). The binary mixture showed synergism on the extraction of the three metals and led to an increase in the separation factor between Pr/Nd and La compared to Cyanex 272 alone. Although the addition of chloride ion into aqueous increased the extraction of the metals, this addition had negative effect on the separation of Nd/Pr and La. McCabe-Thiele diagrams for the extraction of Pr and Nd with the binary mixture were constructed. Stripping of metals from the loaded organic phase was achieved with 0.7 M HCl. The difference in the solvent extraction of the rare earth elements from chloride solution between the binary mixture and saponified extractants was also discussed.

Characterizing the Cool KOIs. III. KOI 961: A Small Star with Large Proper Motion and Three Small Planets

NASA Astrophysics Data System (ADS)

Muirhead, Philip S.; Johnson, John Asher; Apps, Kevin; Carter, Joshua A.; Morton, Timothy D.; Fabrycky, Daniel C.; Pineda, John Sebastian; Bottom, Michael; Rojas-Ayala, Bárbara; Schlawin, Everett; Hamren, Katherine; Covey, Kevin R.; Crepp, Justin R.; Stassun, Keivan G.; Pepper, Joshua; Hebb, Leslie; Kirby, Evan N.; Howard, Andrew W.; Isaacson, Howard T.; Marcy, Geoffrey W.; Levitan, David; Diaz-Santos, Tanio; Armus, Lee; Lloyd, James P.

2012-03-01

We characterize the star KOI 961, an M dwarf with transit signals indicative of three short-period exoplanets discovered by the Kepler mission. We proceed by comparing KOI 961 to Barnard's Star, a nearby, well-characterized mid-M dwarf. We compare colors, optical and near-infrared spectra, and find remarkable agreement between the two, implying similar effective temperatures and metallicities. Both are metal-poor compared to the Solar neighborhood, have low projected rotational velocity, high absolute radial velocity, large proper motion, and no quiescent Hα emission—all of which are consistent with being old M dwarfs. We combine empirical measurements of Barnard's Star and expectations from evolutionary isochrones to estimate KOI 961's mass (0.13 ± 0.05 M ⊙), radius (0.17 ± 0.04 R ⊙), and luminosity (2.40 × 10-3.0 ± 0.3 L ⊙). We calculate KOI 961's distance (38.7 ± 6.3 pc) and space motions, which, like Barnard's Star, are consistent with a high scale-height population in the Milky Way. We perform an independent multi-transit fit to the public Kepler light curve and significantly revise the transit parameters for the three planets. We calculate the false-positive probability for each planet candidate, and find a less than 1% chance that any one of the transiting signals is due to a background or hierarchical eclipsing binary, validating the planetary nature of the transits. The best-fitting radii for all three planets are less than 1 R ⊕, with KOI 961.03 being Mars-sized (RP = 0.57 ± 0.18 R ⊕), and they represent some of the smallest exoplanets detected to date.

Physical properties and catalog of EW-type eclipsing binaries observed by LAMOST

NASA Astrophysics Data System (ADS)

Qian, Sheng-Bang; He, Jia-Jia; Zhang, Jia; Zhu, Li-Ying; Shi, Xiang-Dong; Zhao, Er-Gang; Zhou, Xiao

2017-08-01

EW-type eclipsing binaries (hereafter called EWs) are strong interacting systems in which both component stars usually fill their critical Roche lobes and share a common envelope. Numerous EWs were discovered by several deep photometric surveys and there were about 40 785 EW-type binary systems listed in the international variable star index (VSX) by 2017 March 13. 7938 of them were observed with LAMOST by 2016 November 30 and their spectral types were identified. Stellar atmospheric parameters of 5363 EW-type binary stars were determined based on good spectroscopic observations. In the paper, those EWs are cataloged and their properties are analyzed. The distributions of orbital period (P), effective temperature (T), gravitational acceleration (log(g)), metallicity ([Fe/H]) and radial velocity (RV) are presented for these observed EW-type systems. It is shown that about 80.6% of sample stars have metallicity below zero, indicating that EW-type systems are old stellar populations. This is in agreement with the conclusion that EW binaries are formed from moderately close binaries through angular momentum loss via magnetic braking that takes a few hundred million to a few billion years. The unusually high metallicities of a few percent of EWs may be caused by contamination of material from the evolution of unseen neutron stars or black holes in the systems. The correlations between orbital period and effective temperature, gravitational acceleration and metallicity are presented and their scatters are mainly caused by (i) the presence of third bodies and (ii) sometimes wrongly determined periods. It is shown that some EWs contain evolved component stars and the physical properties of EWs mainly depend on their orbital periods. It is found that extremely short-period EWs may be older than their long-period cousins because they have lower metallicities. This reveals that they have a longer timescale of pre-contact evolution and their formation and evolution aremainly driven by angular momentum loss via magnetic braking.

Kepler-1647b: The Largest and Longest-period Kepler Transiting Circumbinary Planet

NASA Astrophysics Data System (ADS)

Kostov, Veselin B.; Orosz, Jerome A.; Welsh, William F.; Doyle, Laurance R.; Fabrycky, Daniel C.; Haghighipour, Nader; Quarles, Billy; Short, Donald R.; Cochran, William D.; Endl, Michael; Ford, Eric B.; Gregorio, Joao; Hinse, Tobias C.; Isaacson, Howard; Jenkins, Jon M.; Jensen, Eric L. N.; Kane, Stephen; Kull, Ilya; Latham, David W.; Lissauer, Jack J.; Marcy, Geoffrey W.; Mazeh, Tsevi; Müller, Tobias W. A.; Pepper, Joshua; Quinn, Samuel N.; Ragozzine, Darin; Shporer, Avi; Steffen, Jason H.; Torres, Guillermo; Windmiller, Gur; Borucki, William J.

2016-08-01

We report the discovery of a new Kepler transiting circumbinary planet (CBP). This latest addition to the still-small family of CBPs defies the current trend of known short-period planets orbiting near the stability limit of binary stars. Unlike the previous discoveries, the planet revolving around the eclipsing binary system Kepler-1647 has a very long orbital period (˜1100 days) and was at conjunction only twice during the Kepler mission lifetime. Due to the singular configuration of the system, Kepler-1647b is not only the longest-period transiting CBP at the time of writing, but also one of the longest-period transiting planets. With a radius of 1.06 ± 0.01 R Jup, it is also the largest CBP to date. The planet produced three transits in the light curve of Kepler-1647 (one of them during an eclipse, creating a syzygy) and measurably perturbed the times of the stellar eclipses, allowing us to measure its mass, 1.52 ± 0.65 M Jup. The planet revolves around an 11-day period eclipsing binary consisting of two solar-mass stars on a slightly inclined, mildly eccentric (e bin = 0.16), spin-synchronized orbit. Despite having an orbital period three times longer than Earth’s, Kepler-1647b is in the conservative habitable zone of the binary star throughout its orbit.

Enhancing capacitance behaviour of CoOOH nanostructures using transition metal dopants by ambient oxidation

PubMed Central

Chen, Yanhui; Zhou, Junfeng; Maguire, Pierce; O’Connell, Robert; Schmitt, Wolfgang; Li, Yonghe; Yan, Zhengguang; Zhang, Yuefei; Zhang, Hongzhou

2016-01-01

Cobalt hydrate and doped binary Co0.9M0.1OOH (M = Ni, Mn, Fe) nanorings of 100–300 nm were fabricated in solution through a facile ambient oxidation method. A transformation from Co0.9Ni0.1(OH)2 nanodiscs to hollow Co0.9Ni0.1OOH nanorings was observed with prolonged reaction time. Core-shell nanodiscs have elemental segregation with a Co(OH)2 core and Ni(OH)2 shell. Co0.9Ni0.1OOH nanorings displayed a higher electrochemical capacitance than Mn and Fe doped nanorings materials or materials with disc-like geometries. PMID:26853105

Finding False Positives Planet Candidates Due To Background Eclipsing Binaries in K2

NASA Astrophysics Data System (ADS)

Mullally, Fergal; Thompson, Susan E.; Coughlin, Jeffrey; DAVE Team

2016-06-01

We adapt the difference image centroid approach, used for finding background eclipsing binaries, to vet K2 planet candidates. Difference image centroids were used with great success to vet planet candidates in the original Kepler mission, where the source of a transit could be identified by subtracting images of out-of-transit cadences from in-transit cadences. To account for K2's roll pattern, we reconstruct out-of-transit images from cadences that are nearby in both time and spacecraft roll angle. We describe the method and discuss some K2 planet candidates which this method suggests are false positives.

How can we make stable linear monoatomic chains? Gold-cesium binary subnanowires as an example of a charge-transfer-driven approach to alloying.

PubMed

Choi, Young Cheol; Lee, Han Myoung; Kim, Woo Youn; Kwon, S K; Nautiyal, Tashi; Cheng, Da-Yong; Vishwanathan, K; Kim, Kwang S

2007-02-16

On the basis of first-principles calculations of clusters and one dimensional infinitely long subnanowires of the binary systems, we find that alkali-noble metal alloy wires show better linearity and stability than either pure alkali metal or noble metal wires. The enhanced alternating charge buildup on atoms by charge transfer helps the atoms line up straight. The cesium doped gold wires showing significant charge transfer from cesium to gold can be stabilized as linear or circular monoatomic chains.

The friction and wear of metals and binary alloys in contact with an abrasive grit of single-crystal silicon carbide

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1979-01-01

Sliding friction experiments were conducted with various metals and iron-base binary alloys (alloying elements Ti, Cr, Mn, Ni, Rh and W) in contact with single crystal silicon carbide riders. Results indicate that the friction force in the plowing of metal and the groove height (corresponding to the wear volume of the groove) decrease linearly as the shear strength of the bulk metal increases. The coefficient of friction and groove height generally decrease, and the contact pressure increases with an increase in solute content of binary alloys. There appears to be very good correlation of the solute to iron atomic ratio with the decreasing rate of change of coefficient of friction, the decreasing rate of change of groove height and the increasing rate of change of contact pressure with increasing solute content. These rates of change increase as the solute to iron atomic radius ratio increases or decreases from unity.

Modelling Chemical Reasoning to Predict and Invent Reactions.

PubMed

Segler, Marwin H S; Waller, Mark P

2017-05-02

The ability to reason beyond established knowledge allows organic chemists to solve synthetic problems and invent novel transformations. Herein, we propose a model that mimics chemical reasoning, and formalises reaction prediction as finding missing links in a knowledge graph. We have constructed a knowledge graph containing 14.4 million molecules and 8.2 million binary reactions, which represents the bulk of all chemical reactions ever published in the scientific literature. Our model outperforms a rule-based expert system in the reaction prediction task for 180 000 randomly selected binary reactions. The data-driven model generalises even beyond known reaction types, and is thus capable of effectively (re-)discovering novel transformations (even including transition metal-catalysed reactions). Our model enables computers to infer hypotheses about reactivity and reactions by only considering the intrinsic local structure of the graph and because each single reaction prediction is typically achieved in a sub-second time frame, the model can be used as a high-throughput generator of reaction hypotheses for reaction discovery. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

THREE NEW ECLIPSING WHITE-DWARF-M-DWARF BINARIES DISCOVERED IN A SEARCH FOR TRANSITING PLANETS AROUND M-DWARFS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Law, Nicholas M.; Kraus, Adam L.; Street, Rachel

2012-10-01

We present three new eclipsing white-dwarf/M-dwarf binary systems discovered during a search for transiting planets around M-dwarfs. Unlike most known eclipsing systems of this type, the optical and infrared emission is dominated by the M-dwarf components, and the systems have optical colors and discovery light curves consistent with being Jupiter-radius transiting planets around early M-dwarfs. We detail the PTF/M-dwarf transiting planet survey, part of the Palomar Transient Factory (PTF). We present a graphics processing unit (GPU)-based box-least-squares search for transits that runs approximately 8 Multiplication-Sign faster than similar algorithms implemented on general purpose systems. For the discovered systems, we decomposemore » low-resolution spectra of the systems into white-dwarf and M-dwarf components, and use radial velocity measurements and cooling models to estimate masses and radii for the white dwarfs. The systems are compact, with periods between 0.35 and 0.45 days and semimajor axes of approximately 2 R{sub Sun} (0.01 AU). The M-dwarfs have masses of approximately 0.35 M{sub Sun }, and the white dwarfs have hydrogen-rich atmospheres with temperatures of around 8000 K and have masses of approximately 0.5 M{sub Sun }. We use the Robo-AO laser guide star adaptive optics system to tentatively identify one of the objects as a triple system. We also use high-cadence photometry to put an upper limit on the white-dwarf radius of 0.025 R{sub Sun} (95% confidence) in one of the systems. Accounting for our detection efficiency and geometric factors, we estimate that 0.08%{sub -0.05%}{sup +0.10%} (90% confidence) of M-dwarfs are in these short-period, post-common-envelope white-dwarf/M-dwarf binaries where the optical light is dominated by the M-dwarf. The lack of detections at shorter periods, despite near-100% detection efficiency for such systems, suggests that binaries including these relatively low-temperature white dwarfs are preferentially found at relatively large orbital radii. Similar eclipsing binary systems can have arbitrarily small eclipse depths in red bands and generate plausible small-planet-transit light curves. As such, these systems are a source of false positives for M-dwarf transiting planet searches. We present several ways to rapidly distinguish these binaries from transiting planet systems.« less

The first gravitational-wave source from the isolated evolution of two stars in the 40-100 solar mass range.

PubMed

Belczynski, Krzysztof; Holz, Daniel E; Bulik, Tomasz; O'Shaughnessy, Richard

2016-06-23

The merger of two massive (about 30 solar masses) black holes has been detected in gravitational waves. This discovery validates recent predictions that massive binary black holes would constitute the first detection. Previous calculations, however, have not sampled the relevant binary-black-hole progenitors--massive, low-metallicity binary stars--with sufficient accuracy nor included sufficiently realistic physics to enable robust predictions to better than several orders of magnitude. Here we report high-precision numerical simulations of the formation of binary black holes via the evolution of isolated binary stars, providing a framework within which to interpret the first gravitational-wave source, GW150914, and to predict the properties of subsequent binary-black-hole gravitational-wave events. Our models imply that these events form in an environment in which the metallicity is less than ten per cent of solar metallicity, and involve stars with initial masses of 40-100 solar masses that interact through mass transfer and a common-envelope phase. These progenitor stars probably formed either about 2 billion years or, with a smaller probability, 11 billion years after the Big Bang. Most binary black holes form without supernova explosions, and their spins are nearly unchanged since birth, but do not have to be parallel. The classical field formation of binary black holes we propose, with low natal kicks (the velocity of the black hole at birth) and restricted common-envelope evolution, produces approximately 40 times more binary-black-holes mergers than do dynamical formation channels involving globular clusters; our predicted detection rate of these mergers is comparable to that from homogeneous evolution channels. Our calculations predict detections of about 1,000 black-hole mergers per year with total masses of 20-80 solar masses once second-generation ground-based gravitational-wave observatories reach full sensitivity.

Emission-line diagnostics of nearby H II regions including interacting binary populations

NASA Astrophysics Data System (ADS)

Xiao, Lin; Stanway, Elizabeth R.; Eldridge, J. J.

2018-06-01

We present numerical models of the nebular emission from H II regions around young stellar populations over a range of compositions and ages. The synthetic stellar populations include both single stars and interacting binary stars. We compare these models to the observed emission lines of 254 H II regions of 13 nearby spiral galaxies and 21 dwarf galaxies drawn from archival data. The models are created using the combination of the BPASS (Binary Population and Spectral Synthesis) code with the photoionization code CLOUDY to study the differences caused by the inclusion of interacting binary stars in the stellar population. We obtain agreement with the observed emission line ratios from the nearby star-forming regions and discuss the effect of binary-star evolution pathways on the nebular ionization of H II regions. We find that at population ages above 10 Myr, single-star models rapidly decrease in flux and ionization strength, while binary-star models still produce strong flux and high [O III]/H β ratios. Our models can reproduce the metallicity of H II regions from spiral galaxies, but we find higher metallicities than previously estimated for the H II regions from dwarf galaxies. Comparing the equivalent width of H β emission between models and observations, we find that accounting for ionizing photon leakage can affect age estimates for H II regions. When it is included, the typical age derived for H II regions is 5 Myr from single-star models, and up to 10 Myr with binary-star models. This is due to the existence of binary-star evolution pathways, which produce more hot Wolf-Rayet and helium stars at older ages. For future reference, we calculate new BPASS binary maximal starburst lines as a function of metallicity, and for the total model population, and present these in Appendix A.

The first gravitational-wave source from the isolated evolution of two stars in the 40-100 solar mass range

NASA Astrophysics Data System (ADS)

Belczynski, Krzysztof; Holz, Daniel E.; Bulik, Tomasz; O'Shaughnessy, Richard

2016-06-01

The merger of two massive (about 30 solar masses) black holes has been detected in gravitational waves. This discovery validates recent predictions that massive binary black holes would constitute the first detection. Previous calculations, however, have not sampled the relevant binary-black-hole progenitors—massive, low-metallicity binary stars—with sufficient accuracy nor included sufficiently realistic physics to enable robust predictions to better than several orders of magnitude. Here we report high-precision numerical simulations of the formation of binary black holes via the evolution of isolated binary stars, providing a framework within which to interpret the first gravitational-wave source, GW150914, and to predict the properties of subsequent binary-black-hole gravitational-wave events. Our models imply that these events form in an environment in which the metallicity is less than ten per cent of solar metallicity, and involve stars with initial masses of 40-100 solar masses that interact through mass transfer and a common-envelope phase. These progenitor stars probably formed either about 2 billion years or, with a smaller probability, 11 billion years after the Big Bang. Most binary black holes form without supernova explosions, and their spins are nearly unchanged since birth, but do not have to be parallel. The classical field formation of binary black holes we propose, with low natal kicks (the velocity of the black hole at birth) and restricted common-envelope evolution, produces approximately 40 times more binary-black-holes mergers than do dynamical formation channels involving globular clusters; our predicted detection rate of these mergers is comparable to that from homogeneous evolution channels. Our calculations predict detections of about 1,000 black-hole mergers per year with total masses of 20-80 solar masses once second-generation ground-based gravitational-wave observatories reach full sensitivity.

Methods for synthesizing metal oxide nanowires

DOEpatents

Sunkara, Mahendra Kumar; Kumar, Vivekanand; Kim, Jeong H.; Clark, Ezra Lee

2016-08-09

A method of synthesizing a metal oxide nanowire includes the steps of: combining an amount of a transition metal or a transition metal oxide with an amount of an alkali metal compound to produce a mixture; activating a plasma discharge reactor to create a plasma discharge; exposing the mixture to the plasma discharge for a first predetermined time period such that transition metal oxide nanowires are formed; contacting the transition metal oxide nanowires with an acid solution such that an alkali metal ion is exchanged for a hydrogen ion on each of the transition metal oxide nanowires; and exposing the transition metal oxide nanowires to the plasma discharge for a second predetermined time period to thermally anneal the transition metal oxide nanowires. Transition metal oxide nanowires produced using the synthesis methods described herein are also provided.

Prospecting in Ultracool Dwarfs: Measuring the Metallicities of Mid- and Late-M Dwarfs

NASA Astrophysics Data System (ADS)

Mann, Andrew W.; Deacon, Niall R.; Gaidos, Eric; Ansdell, Megan; Brewer, John M.; Liu, Michael C.; Magnier, Eugene A.; Aller, Kimberly M.

2014-06-01

Metallicity is a fundamental parameter that contributes to the physical characteristics of a star. The low temperatures and complex molecules present in M dwarf atmospheres make it difficult to measure their metallicities using techniques that have been commonly used for Sun-like stars. Although there has been significant progress in developing empirical methods to measure M dwarf metallicities over the last few years, these techniques have been developed primarily for early- to mid-M dwarfs. We present a method to measure the metallicity of mid- to late-M dwarfs from moderate resolution (R ~ 2000) K-band (sime 2.2 μm) spectra. We calibrate our formula using 44 wide binaries containing an F, G, K, or early-M primary of known metallicity and a mid- to late-M dwarf companion. We show that similar features and techniques used for early-M dwarfs are still effective for late-M dwarfs. Our revised calibration is accurate to ~0.07 dex for M4.5-M9.5 dwarfs with -0.58 < [Fe/H] < +0.56 and shows no systematic trends with spectral type, metallicity, or the method used to determine the primary star metallicity. We show that our method gives consistent metallicities for the components of M+M wide binaries. We verify that our new formula works for unresolved binaries by combining spectra of single stars. Lastly, we show that our calibration gives consistent metallicities with the Mann et al. study for overlapping (M4-M5) stars, establishing that the two calibrations can be used in combination to determine metallicities across the entire M dwarf sequence.

Contributions of phase and structural transformations in multicomponent Al-Mg alloys to the linear and nonlinear mechanisms of anelasticity

NASA Astrophysics Data System (ADS)

Golovin, I. S.; Bychkov, A. S.; Mikhailovskaya, A. V.; Dobatkin, S. V.

2014-02-01

The effects of the processes of severe plastic deformation (SPD), recrystallization, and precipitation of the β phase in multicomponent alloys of the Al-5Mg-Mn-Cr and Al-(4-5%)Mg-Mn-Zn-Sc systems on the mechanisms of grain-boundary relaxation and dislocation-induced microplasticity have been studied in some detail. To stabilize the ultrafine-grained structure and prevent grain growth, dispersed Al-transition-metal particles, such as Al3Zr, Al6Mn, Al7Cr, Al6(Mn,Cr), Al18Cr2Mg3 have been used. We have special interest in alloys with additions of scandium, which forms compounds of the Al3Sc type and favors the precipitation of finer particles compared to the aluminides of other transition metals. After SPD, Al-(4-5%)Mg-Mn-Zr-Sc alloys exhibit an enhanced recrystallization temperature. The general features of the dislocation and grain-boundary anelasticity that have been established for the binary Al-Mg alloys are retained; i.e., (1) the decrease in the dislocation density in the process of recrystallization of cold-worked alloys leads to the formation of a pseudo-peak in the curves of the temperature dependences of internal friction (TDIF) and to a decrease in the critical amplitude of deformation corresponding to the onset of dislocation motion in a stress field; (2) the precipitation of the β phase suppresses the grain-boundary relaxation; (3) the dissolution of the β phase, the passage of the magnesium atoms into the solid solution, and the precipitation of the β' phase upon heating hinder the motion of dislocations; (4) the coarsening of the highly dispersed particles containing Zr and Sc increases the dislocation mobility. The grain-boundary relaxation and dislocation-impurity interaction and their temperature dependences, as well as processes of the additional alloying of the binary alloys by Mn, Cr, Zr, and Sc, have been estimated quantitatively.

Toxic effect of metal cation binary mixtures to the seaweed Gracilaria domingensis (Gracilariales, Rhodophyta).

PubMed

Mendes, Luiz Fernando; Stevani, Cassius Vinicius; Zambotti-Villela, Leonardo; Yokoya, Nair Sumie; Colepicolo, Pio

2014-01-01

The macroalga Gracilaria domingensis is an important resource for the food, pharmaceutical, cosmetic, and biotechnology industries. G. domingensis is at a part of the food web foundation, providing nutrients and microelements to upper levels. As seaweed storage metals in the vacuoles, they are considered the main vectors to magnify these toxic elements. This work describes the evaluation of the toxicity of binary mixtures of available metal cations based on the growth rates of G. domingensis over a 48-h exposure. The interactive effects of each binary mixture were determined using a toxic unit (TU) concept that was the sum of the relative contribution of each toxicant and calculated using the ratio between the toxicant concentration and its endpoint. Mixtures of Cd(II)/Cu(II) and Zn(II)/Ca(II) demonstrated to be additive; Cu(II)/Zn(II), Cu(II)/Mg(II), Cu(II)/Ca(II), Zn(II)/Mg(II), and Ca(II)/Mg(II) mixtures were synergistic, and all interactions studied with Cd(II) were antagonistic. Hypotheses that explain the toxicity of binary mixtures at the molecular level are also suggested. These results represent the first effort to characterize the combined effect of available metal cations, based on the TU concept on seaweed in a total controlled medium. The results presented here are invaluable to the understanding of seaweed metal cation toxicity in the marine environment, the mechanism of toxicity action and how the tolerance of the organism.

Critical behavior in the vicinity of nematic to smectic A (N-SmA) phase transition of two polar-polar binary liquid crystalline systems

NASA Astrophysics Data System (ADS)

Barman, Barnali; Sarkar, Sudipta Kumar; Das, Malay Kumar

2018-01-01

Phase diagram, critical behavior and order of the nematic (N)-smectic A (SmA) phase transition of two polar-polar binary systems (i) 4-n-heptyloxy-4‧-cyanobiphenyl (7OCB) and 4-n-octyloxy-4‧-cyanobiphenyl (8OCB); (ii) 4-n-octyloxy-4‧-cyanobiphenyl (8OCB) and 4-n-nonyloxy-4‧-cyanobiphenyl (9OCB) by means of a high-resolution temperature scanning measurement of birefringence have been reported in this work. A simple power law analysis has been adopted to extract the specific heat critical exponent (α‧) at N-SmA transition from birefringence data. The α‧ for N-SmA transition indicates a uniform crossover behavior and has appeared to be non-universal in nature. With increasing concentration of the higher homologues for both the binary systems, the N-SmA transition reveals a strong tendency to be driven towards the tricritical nature. The 3D-XY limit (i.e. α‧ = -0.007) for N-SmA transition reaches at the concentration x8OCB = 0.28 corresponding to the McMillan ratio 0.914, whereas the tricritical point has been found to appear near x9OCB = 1.0 corresponding to McMillan ratio 0.992.

Durable pd-based alloy and hydrogen generation membrane thereof

DOEpatents

Benn, Raymond C.; Opalka, Susanne M.; Vanderspurt, Thomas Henry

2010-02-02

A durable Pd-based alloy is used for a H.sub.2-selective membrane in a hydrogen generator, as in the fuel processor of a fuel cell plant. The Pd-based alloy includes Cu as a binary element, and further includes "X", where "X" comprises at least one metal from group "M" that is BCC and acts to stabilize the .beta. BCC phase for stability during operating temperatures. The metal from group "M" is selected from the group consisting of Fe, Cr, Nb, Ta, V, Mo, and W, with Nb and Ta being most preferred. "X" may further comprise at least one metal from a group "N" that is non-BCC, preferably FCC, that enhances other properties of the membrane, such as ductility. The metal from group "N" is selected from the group consisting of Ag, Au, Re, Ru, Rh, Y, Ce, Ni, Ir, Pt, Co, La and In. The at. % of Pd in the binary Pd--Cu alloy ranges from about 35 at. % to about 55 at. %, and the at. % of "X" in the higher order alloy, based on said binary alloy, is in the range of about 1 at. % to about 15 at. %. The metals are selected according to a novel process.

Wall-like hierarchical metal oxide nanosheet arrays grown on carbon cloth for excellent supercapacitor electrodes

NASA Astrophysics Data System (ADS)

Huang, Zongyu; Zhang, Zhen; Qi, Xiang; Ren, Xiaohui; Xu, Guanghua; Wan, Pengbo; Sun, Xiaoming; Zhang, Han

2016-07-01

Recently, considerable efforts have been made to satisfy the future requirements of electrochemical energy storage using novel functional electrode materials. Binary transition metal oxides (BTMOs) possess multiple oxidation states that enable multiple redox reactions, showing higher supercapacitive properties than single component metal oxides. In this work, a facile hydrothermal method is provided for the synthesis of wall-like hierarchical metal oxide MMoO4 (M = Ni, Co) nanosheet arrays, which are directly grown on flexible carbon cloth for use as advanced binder-free electrodes for supercapacitors. By virtue of their intriguing structure, the resulted active material nanosheets with a high specific surface area can provide a large electroactive region, which could facilitate easy accession of electrolyte ions and fast charge transport, resulting in an enhanced electrochemical performance. Separately, the as-synthesized MMoO4 (M = Ni, Co) samples have exhibited superior specific capacitances (1483 F g-1 of NiMoO4 and 452 F g-1 of CoMoO4 at a current density of 2 A g-1), as well as excellent cycling stability (93.1% capacitance retention of NiMoO4 and 95.9% capacitance retention of CoMoO4 after 2000 cycles). The results show that the binder-free electrodes constructed by deposition of MMoO4 (M = Ni, Co) nanosheets on carbon cloth are promising candidates for the application of supercapacitors.Recently, considerable efforts have been made to satisfy the future requirements of electrochemical energy storage using novel functional electrode materials. Binary transition metal oxides (BTMOs) possess multiple oxidation states that enable multiple redox reactions, showing higher supercapacitive properties than single component metal oxides. In this work, a facile hydrothermal method is provided for the synthesis of wall-like hierarchical metal oxide MMoO4 (M = Ni, Co) nanosheet arrays, which are directly grown on flexible carbon cloth for use as advanced binder-free electrodes for supercapacitors. By virtue of their intriguing structure, the resulted active material nanosheets with a high specific surface area can provide a large electroactive region, which could facilitate easy accession of electrolyte ions and fast charge transport, resulting in an enhanced electrochemical performance. Separately, the as-synthesized MMoO4 (M = Ni, Co) samples have exhibited superior specific capacitances (1483 F g-1 of NiMoO4 and 452 F g-1 of CoMoO4 at a current density of 2 A g-1), as well as excellent cycling stability (93.1% capacitance retention of NiMoO4 and 95.9% capacitance retention of CoMoO4 after 2000 cycles). The results show that the binder-free electrodes constructed by deposition of MMoO4 (M = Ni, Co) nanosheets on carbon cloth are promising candidates for the application of supercapacitors. Electronic supplementary information (ESI) available: XRD pattern and charge-discharge plots. See DOI: 10.1039/c6nr04020a

Method for reducing the sulfur content of a sulfur-containing hydrocarbon stream

DOEpatents

Mahajan, Devinder

2004-12-28

The sulfur content of a liquid hydrocarbon stream is reduced under mild conditions by contracting a sulfur-containing liquid hydrocarbon stream with transition metal particles containing the transition metal in a zero oxidation state under conditions sufficient to provide a hydrocarbon product having a reduced sulfur content and metal sulfide particles. The transition metal particles can be produced in situ by adding a transition metal precursor, e.g., a transition metal carbonyl compound, to the sulfur-containing liquid feed stream and sonicating the feed steam/transition metal precursor combination under conditions sufficient to produce the transition metal particles.

The observed distribution of spectroscopic binaries from the Anglo-Australian Planet Search

NASA Astrophysics Data System (ADS)

Jenkins, J. S.; Díaz, M.; Jones, H. R. A.; Butler, R. P.; Tinney, C. G.; O'Toole, S. J.; Carter, B. D.; Wittenmyer, R. A.; Pinfield, D. J.

2015-10-01

We report the detection of sixteen binary systems from the Anglo-Australian Planet Search. Solutions to the radial velocity data indicate that the stars have companions orbiting with a wide range of masses, eccentricities and periods. Three of the systems potentially contain brown-dwarf companions while another two have eccentricities that place them in the extreme upper tail of the eccentricity distribution for binaries with periods less than 1000 d. For periods up to 12 years, the distribution of our stellar companion masses is fairly flat, mirroring that seen in other radial velocity surveys, and contrasts sharply with the current distribution of candidate planetary masses, which rises strongly below 10 MJ. When looking at a larger sample of binaries that have FGK star primaries as a function of the primary star metallicity, we find that the distribution maintains a binary fraction of ˜43 ± 4 per cent between -1.0 and +0.6 dex in metallicity. This is in stark contrast to the giant exoplanet distribution. This result is in good agreement with binary formation models that invoke fragmentation of a collapsing giant molecular cloud, suggesting that this is the dominant formation mechanism for close binaries and not fragmentation of the primary star's remnant protoplanetary disc.

Single and binary adsorption of heavy metal ions from aqueous solutions using sugarcane cellulose-based adsorbent.

PubMed

Wang, Futao; Pan, Yuanfeng; Cai, Pingxiong; Guo, Tianxiang; Xiao, Huining

2017-10-01

A high efficient and eco-friendly sugarcane cellulose-based adsorbent was prepared in an attempt to remove Pb 2+ , Cu 2+ and Zn 2+ from aqueous solutions. The effects of initial concentration of heavy metal ions and temperature on the adsorption capacity of the bioadsorbent were investigated. The adsorption isotherms showed that the adsorption of Pb 2+ , Cu 2+ and Zn 2+ followed the Langmuir model and the maximum adsorptions were as high as 558.9, 446.2 and 363.3mg·g -1 , respectively, in single component system. The binary component system was better described with the competitive Langmuir isotherm model. The three dimensional sorption surface of binary component system demonstrated that the presence of Pb 2+ decreased the sorption of Cu 2+ , but the adsorption amount of other metal ions was not affected. The result from SEM-EDAX revealed that the adsorption of metal ions on bioadsorbent was mainly driven by coordination, ion exchange and electrostatic association. Copyright © 2017 Elsevier Ltd. All rights reserved.

The OGLE Collection of Variable Stars. Over 450 000 Eclipsing and Ellipsoidal Binary Systems Toward the Galactic Bulge

NASA Astrophysics Data System (ADS)

Soszyński, I.; Pawlak, M.; Pietrukowicz, P.; Udalski, A.; Szymański, M. K.; Wyrzykowski, Ł.; Ulaczyk, K.; Poleski, R.; Kozłowski, S.; Skowron, D. M.; Skowron, J.; Mróz, P.; Hamanowicz, A.

2016-12-01

We present a collection of 450 598 eclipsing and ellipsoidal binary systems detected in the OGLE fields toward the Galactic bulge. The collection consists of binary systems of all types: detached, semi-detached, and contact eclipsing binaries, RS CVn stars, cataclysmic variables, HW Vir binaries, double periodic variables, and even planetary transits. For all stars we provide the I- and V-band time-series photometry obtained during the OGLE-II, OGLE-III, and OGLE-IV surveys. We discuss methods used to identify binary systems in the OGLE data and present several objects of particular interest.

A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.

PubMed

Ng, Chee Koon; Wu, Jie; Hor, T S Andy; Luo, He-Kuan

2016-09-27

Binary catalyst systems comprising a cationic Ru-CNC pincer complex and an alkali metal salt were developed for selective hydroboration of CO 2 utilizing pinacolborane at r.t. and 1 atm CO 2 , with the combination of [Ru(CNC Bn )(CO) 2 (H)][PF 6 ] and KOCO 2 t Bu producing formoxyborane in 76% yield. A bicyclic catalytic mechanism was proposed and discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kostov, Veselin B.; Orosz, Jerome A.; Welsh, William F.

We report the discovery of a new Kepler transiting circumbinary planet (CBP). This latest addition to the still-small family of CBPs defies the current trend of known short-period planets orbiting near the stability limit of binary stars. Unlike the previous discoveries, the planet revolving around the eclipsing binary system Kepler-1647 has a very long orbital period (∼1100 days) and was at conjunction only twice during the Kepler mission lifetime. Due to the singular configuration of the system, Kepler-1647b is not only the longest-period transiting CBP at the time of writing, but also one of the longest-period transiting planets. With amore » radius of 1.06 ± 0.01 R {sub Jup}, it is also the largest CBP to date. The planet produced three transits in the light curve of Kepler-1647 (one of them during an eclipse, creating a syzygy) and measurably perturbed the times of the stellar eclipses, allowing us to measure its mass, 1.52 ± 0.65 M {sub Jup}. The planet revolves around an 11-day period eclipsing binary consisting of two solar-mass stars on a slightly inclined, mildly eccentric ( e {sub bin} = 0.16), spin-synchronized orbit. Despite having an orbital period three times longer than Earth’s, Kepler-1647b is in the conservative habitable zone of the binary star throughout its orbit.« less

Reversible voltage dependent transition of abnormal and normal bipolar resistive switching.

PubMed

Wang, Guangyu; Li, Chen; Chen, Yan; Xia, Yidong; Wu, Di; Xu, Qingyu

2016-11-14

Clear understanding the mechanism of resistive switching is the important prerequisite for the realization of high performance nonvolatile resistive random access memory. In this paper, binary metal oxide MoO x layer sandwiched by ITO and Pt electrodes was taken as a model system, reversible transition of abnormal and normal bipolar resistive switching (BRS) in dependence on the maximum voltage was observed. At room temperature, below a critical maximum voltage of 2.6 V, butterfly shaped I-V curves of abnormal BRS has been observed with low resistance state (LRS) to high resistance state (HRS) transition in both polarities and always LRS at zero field. Above 2.6 V, normal BRS was observed, and HRS to LRS transition happened with increasing negative voltage applied. Temperature dependent I-V measurements showed that the critical maximum voltage increased with decreasing temperature, suggesting the thermal activated motion of oxygen vacancies. Abnormal BRS has been explained by the partial compensation of electric field from the induced dipoles opposite to the applied voltage, which has been demonstrated by the clear amplitude-voltage and phase-voltage hysteresis loops observed by piezoelectric force microscopy. The normal BRS was due to the barrier modification at Pt/MoO x interface by the accumulation and depletion of oxygen vacancies.

Fabrication of highly ordered 2D metallic arrays with disc-in-hole binary nanostructures via a newly developed nanosphere lithography

NASA Astrophysics Data System (ADS)

Yang, Xi; Guo, Wei; Wang, Xixi; Liao, Mingdun; Gao, Pingqi; Ye, Jichun

2017-11-01

2D metallic arrays with binary nanostructures derived from a nanosphere lithography (NSL) method have been rarely reported. Here, we demonstrate a novel NSL strategy to fabricate highly ordered 2D gold arrays with disc-in-hole binary (DIHB) nanostructures in large scale by employing a sacrificing layer combined with a three-step lift-off process. The structural parameters of the resultant DIHB arrays, such as periodicity, hole diameter, disc diameter and thicknesses can be facilely controlled by tuning the nanospheres size, etching condition, deposition angle and duration, respectively. Due to the intimate interactions between two subcomponents, the DIHB arrays exhibit both an extraordinary high surface-enhanced Raman scattering enhancement factor up to 5 × 108 and a low sheet resistance down to 1.7 Ω/sq. Moreover, the DIHB array can also be used as a metal catalyzed chemical etching catalytic pattern to create vertically-aligned Si nano-tube arrays for anti-reflectance application. This strategy provides a universal route for synthesizing other diverse binary nanostructures with controlled morphology, and thus expands the applications of the NSL to prepare ordered nanostructures with multi-function.

Defining a Materials Database for the Design of Copper Binary Alloy Catalysts for Electrochemical CO2 Conversion.

PubMed

Lee, Chan Woo; Yang, Ki Dong; Nam, Dae-Hyun; Jang, Jun Ho; Cho, Nam Heon; Im, Sang Won; Nam, Ki Tae

2018-01-24

While Cu electrodes are a versatile material in the electrochemical production of desired hydrocarbon fuels, Cu binary alloy electrodes are recently proposed to further tune reaction directionality and, more importantly, overcome the intrinsic limitation of scaling relations. Despite encouraging empirical demonstrations of various Cu-based metal alloy systems, the underlying principles of their outstanding performance are not fully addressed. In particular, possible phase segregation with concurrent composition changes, which is widely observed in the field of metallurgy, is not at all considered. Moreover, surface-exposed metals can easily form oxide species, which is another pivotal factor that determines overall catalytic properties. Here, the understanding of Cu binary alloy catalysts for CO 2 reduction and recent progress in this field are discussed. From the viewpoint of the thermodynamic stability of the alloy system and elemental mixing, possible microstructures and naturally generated surface oxide species are proposed. These basic principles of material science can help to predict and understand metal alloy structure and, moreover, act as an inspiration for the development of new binary alloy catalysts to further improve CO 2 conversion and, ultimately, achieve a carbon-neutral cycle. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simulation of thermally induced processes of diffusion and phase formation in layered binary metallic systems

NASA Astrophysics Data System (ADS)

Rusakov, V. S.; Sukhorukov, I. A.; Zhankadamova, A. M.; Kadyrzhanov, K. K.

2010-05-01

Results of the simulation of thermally induced processes of diffusion and phase formation in model and experimentally investigated layered binary metallic systems are presented. The physical model is based on the Darken phenomenological theory and on the mechanism of interdiffusion of components along the continuous diffusion channels of phases in the two-phase regions of the system. The simulation of processes in the model systems showed that the thermally stabilized concentration profiles in two-layer binary metallic systems are virtually independent of the partial diffusion coefficients; for the systems with the average concentration of components that is the same over the sample depth, the time of the thermal stabilization of the structural and phase state inhomogeneous over the depth grows according to a power law with increasing thickness of the system in such a manner that the thicknesses of the surface layers grow, while the thickness of the intermediate layer approaches a constant value. The results of the simulation of the processes of diffusion and phase formation in experimentally investigated layered binary systems Fe-Ti and Cu-Be upon sequential isothermal and isochronous annealings agree well with the experimental data.

Metal/ceramic composites with high hydrogen permeability

DOEpatents

Dorris, Stephen E.; Lee, Tae H.; Balachandran, Uthamalingam

2003-05-27

A membrane for separating hydrogen from fluids is provided comprising a sintered homogenous mixture of a ceramic composition and a metal. The metal may be palladium, niobium, tantalum, vanadium, or zirconium or a binary mixture of palladium with another metal such as niobium, silver, tantalum, vanadium, or zirconium.

A pseudopotential approach to the superconducting state properties of metallic glass ?

NASA Astrophysics Data System (ADS)

Sharma, Ritu; Sharma, K. S.

1997-08-01

The superconducting state properties of the metallic glass 0953-2048/10/8/005/img2 have been investigated in the BCS - Eliashberg - McMillan framework by extending this theory to the binary metal glasses. Pseudo ions with average properties have been considered to replace both types of ions in the system. Values of the superconducting state parameters, namely electron - phonon coupling strength 0953-2048/10/8/005/img3, Coloumb pseudopotential 0953-2048/10/8/005/img4, transition temperature 0953-2048/10/8/005/img5, isotope effect exponent 0953-2048/10/8/005/img6 and interaction strength 0953-2048/10/8/005/img7 have been worked out using Ashcroft's potential and the linear potential due to Sharma and Kachhava along with six different forms of dielectric screening. The form factors directly obtained from the screened pseudopotential of Veljkovic and Slavic have also been used to explicitly observe the effect of the dielectric screening on 0953-2048/10/8/005/img8 and 0953-2048/10/8/005/img9 through 0953-2048/10/8/005/img10. The results obtained established the presence of a superconducting phase in 0953-2048/10/8/005/img2 glass.

Bit-mapped Holograms Using Phase Transition Mastering (PTM) and Blu-ray Disks

NASA Astrophysics Data System (ADS)

Barnhart, Donald

2013-02-01

Due to recent advances made in data storage, cloud computing, and Blu-ray mastering technology, it is now straight forward to calculate, store, transfer, and print bitmapped holograms that use terabytes of data and tera-pixels of information. This presentation reports on the potential of using the phase transition mastering (PTM) process to construct bitmapped, computer generated holograms with spatial resolutions of 5000 line-pairs/mm (70 nm pixel width). In particular, for Blu-ray disk production, Sony has developed a complete process that could be alternately deployed in holographic applications. The PTM process uses a 405 nm laser to write phase patterns onto a layer of imperfect transition metal oxides that is deposited onto an 8 inch silicon wafer. After the master hologram has been constructed, its imprint can then be cheaply mass produced with the same process as Blu-ray disks or embossed holograms. Unlike traditional binary holograms made with expensive e-beam lithography, the PTM process has the potential for multiple phase levels using inexpensive optics similar to consumer-grade desktop Blu-ray writers. This PTM process could revolutionise holography for entertainment, industrial, and scientific applications.

Microwave-assisted synthesis of transition metal phosphide

DOEpatents

Viswanathan, Tito

2014-12-30

A method of synthesizing transition metal phosphide. In one embodiment, the method has the steps of preparing a transition metal lignosulfonate, mixing the transition metal lignosulfonate with phosphoric acid to form a mixture, and subjecting the mixture to a microwave radiation for a duration of time effective to obtain a transition metal phosphide.

A spectroscopic binary in the Hercules dwarf spheroidal galaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koch, Andreas; Hansen, Terese; Feltzing, Sofia

2014-01-01

We present the radial velocity curve of a single-lined spectroscopic binary in the faint Hercules dwarf spheroidal (dSph) galaxy, based on 34 individual spectra covering more than 2 yr of observations. This is the first time that orbital elements could be derived for a binary in a dSph. The system consists of a metal-poor red giant and a low-mass companion, possibly a white dwarf, with a 135 day period in a moderately eccentric (e = 0.18) orbit. Its period and eccentricity are fully consistent with metal-poor binaries in the Galactic halo, while the projected semimajor axis is small, at a{submore » p} sin i = 38 R {sub ☉}. In fact, a very close orbit could inhibit the production of heavier elements through s-process nucleosynthesis, leading to the very low abundances of neutron-capture elements that are found in this star. We discuss the further implications for the chemical enrichment history of the Hercules dSph, but find no compelling binary scenario that could reasonably explain the full, peculiar abundance pattern of the Hercules dSph galaxy.« less

Electrocatalyst for alcohol oxidation in fuel cells

DOEpatents

Adzic, Radoslav R.; Marinkovic, Nebojsa S.

2001-01-01

Binary and ternary electrocatalysts are provided for oxidizing alcohol in a fuel cell. The binary electrocatalyst includes 1) a substrate selected from the group consisting of NiWO.sub.4 or CoWO.sub.4 or a combination thereof, and 2) Group VIII noble metal catalyst supported on the substrate. The ternary electrocatalyst includes 1) a substrate as described above, and 2) a catalyst comprising Group VIII noble metal, and ruthenium oxide or molybdenum oxide or a combination thereof, said catalyst being supported on said substrate.

Merging black hole binaries: the effects of progenitor's metallicity, mass-loss rate and Eddington factor

NASA Astrophysics Data System (ADS)

Giacobbo, Nicola; Mapelli, Michela; Spera, Mario

2018-03-01

The first four gravitational wave events detected by LIGO were all interpreted as merging black hole binaries (BHBs), opening a new perspective on the study of such systems. Here we use our new population-synthesis code MOBSE, an upgraded version of BSE, to investigate the demography of merging BHBs. MOBSE includes metallicity-dependent prescriptions for mass-loss of massive hot stars. It also accounts for the impact of the electron-scattering Eddington factor on mass-loss. We perform >108 simulations of isolated massive binaries, with 12 different metallicities, to study the impact of mass-loss, core-collapse supernovae and common envelope on merging BHBs. Accounting for the dependence of stellar winds on the Eddington factor leads to the formation of black holes (BHs) with mass up to 65 M⊙ at metallicity Z ˜ 0.0002. However, most BHs in merging BHBs have masses ≲ 40 M⊙. We find merging BHBs with mass ratios in the 0.1-1.0 range, even if mass ratios >0.6 are more likely. We predict that systems like GW150914, GW170814 and GW170104 can form only from progenitors with metallicity Z ≤ 0.006, Z ≤ 0.008 and Z ≤ 0.012, respectively. Most merging BHBs have gone through a common envelope phase, but up to ˜17 per cent merging BHBs at low metallicity did not undergo any common envelope phase. We find a much higher number of mergers from metal-poor progenitors than from metal-rich ones: the number of BHB mergers per unit mass is ˜10-4 M_{⊙}^{-1} at low metallicity (Z = 0.0002-0.002) and drops to ˜10-7 M_{⊙}^{-1} at high metallicity (Z ˜ 0.02).

OBSERVATIONS OF BINARY STARS WITH THE DIFFERENTIAL SPECKLE SURVEY INSTRUMENT. V. TOWARD AN EMPIRICAL METAL-POOR MASS–LUMINOSITY RELATION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Horch, Elliott P.; Van Altena, William F.; Demarque, Pierre

2015-05-15

In an effort to better understand the details of the stellar structure and evolution of metal-poor stars, the Gemini North telescope was used on two occasions to take speckle imaging data of a sample of known spectroscopic binary stars and other nearby stars in order to search for and resolve close companions. The observations were obtained using the Differential Speckle Survey Instrument, which takes data in two filters simultaneously. The results presented here are of 90 observations of 23 systems in which one or more companions was detected, and six stars where no companion was detected to the limit ofmore » the camera capabilities at Gemini. In the case of the binary and multiple stars, these results are then further analyzed to make first orbit determinations in five cases, and orbit refinements in four other cases. The mass information is derived, and since the systems span a range in metallicity, a study is presented that compares our results with the expected trend in total mass as derived from the most recent Yale isochrones as a function of metal abundance. These data suggest that metal-poor main-sequence stars are less massive at a given color than their solar-metallicity analogues in a manner consistent with that predicted from the theory.« less

Molecular precursor routes to transition metal sulfides

NASA Astrophysics Data System (ADS)

Dinnage, Christopher Walker

This thesis is primarily concerned with the synthesis of homoleptic early transition meta thiolates and the subsequent preparation of bulk and thin-film metal disulfides from these compounds. Chapter 1 gives an introduction into the properties, preparation procedures and uses of bulk and thin-film transition metal disulfides as well as giving an overview of early transition metal thiolates synthesied so far in the literature (for titanium, zirconium, tantalum and niobium). Chapter 2 is concerned with the synthesis of a number of ionic and neutral transition metal thiolates. The main synthetic methodologies discussed in this chapter include substitution reactions of transition metal amides and alkyls with thiols, salt metathesis reactions of transition metal chlorides with alkali metal thiolates or with a base / thiol and the use of Grignard reagents. Chapter 3 discusses the preparation of bulk transition metal disulfides using the thiolates prepared in the previous chapter via a thio "sol-gel" route. The preparation of a range of bulk metal and mixed-metal disulfides using transition metal chlorides and hexamethyldisilathiane is also discussed in this chapter. Finally, chapter 4 is concerned with the attempted preparation of thin-films of some transition metal disulfides. Decomposition studies of some of the thiolates prepared in chapter 2 are discussed using thermal gravimetric analysis. Vapour-phase deposition studies are also explored in order to test the potential of the transition metal thiolates as precursors to the disulfides. Experiments using low-pressure chemical vapour deposition and aerosol-assisted chemical vapour deposition are also described.

Kepler-47: A Three-Planet Circumbinary System

NASA Astrophysics Data System (ADS)

Welsh, William; Orosz, Jerome; Quarles, Billy; Haghighipour, Nader

2015-12-01

Kepler-47 is the most interesting of the known circumbinary planets. In the discovery paper by Orosz et al. (2012) two planets were detected, with periods of 49.5 and 303 days around the 7.5-day binary. In addition, a single "orphan" transit of a possible third planet was noticed. Since then, five additional transits by this planet candidate have been uncovered, leading to the unambiguous confirmation of a third transiting planet in the system. The planet has a period of 187 days, and orbits in between the previously detected planets. It lies on the inner edge of the optimistic habitable zone, while its outer sibling falls within the conservative habitable zone. The orbit of this new planet is precessing, causing its transits to become significantly deeper over the span of the Kepler observations. Although the planets are not massive enough to measurably perturb the binary, they are sufficiently massive to interact with each other and cause mild transit timing variations (TTVs). This enables our photodynamical model to estimate their masses. We find that all three planets have very low-density and are on remarkably co-planar orbits: all 4 orbits (the binary and three planets) are within ~2 degrees of one another. Thus the Kepler-47 system puts interesting constraints on circumbinary planet formation and migration scenarios.

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

PubMed

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

2018-03-30

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

GRAVITATIONAL WAVE BACKGROUND FROM BINARY MERGERS AND METALLICITY EVOLUTION OF GALAXIES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakazato, Ken’ichiro; Sago, Norichika; Niino, Yuu, E-mail: nakazato@artsci.kyushu-u.ac.jp

The cosmological evolution of the binary black hole (BH) merger rate and the energy density of the gravitational wave (GW) background are investigated. To evaluate the redshift dependence of the BH formation rate, BHs are assumed to originate from low-metallicity stars, and the relations between the star formation rate, metallicity and stellar mass of galaxies are combined with the stellar mass function at each redshift. As a result, it is found that when the energy density of the GW background is scaled with the merger rate at the local universe, the scaling factor does not depend on the critical metallicitymore » for the formation of BHs. Also taking into account the merger of binary neutron stars, a simple formula to express the energy spectrum of the GW background is constructed for the inspiral phase. The relation between the local merger rate and the energy density of the GW background will be examined by future GW observations.« less

A Photometric (griz) Metallicity Calibration for Cool Stars

NASA Astrophysics Data System (ADS)

West, Andrew A.; Davenport, James R. A.; Dhital, Saurav; Mann, Andrew; Massey, Angela P

2014-06-01

We present results from a study that uses wide pairs as tools for estimating and constraining the metal content of cool stars from their spectra and broad band colors. Specifically, we will present results that optimize the Mann et al. M dwarf metallicity calibrations (derived using wide binaries) for the optical regime covered by SDSS spectra. We will demonstrate the robustness of the new calibrations using a sample of wide, low-mass binaries for which both components have an SDSS spectrum. Using these new spectroscopic metallicity calibrations, we will present relations between the metallicities (from optical spectra) and the Sloan colors derived using more than 20,000 M dwarfs in the SDSS DR7 spectroscopic catalog. These relations have important ramifications for studies of Galactic chemical evolution, the search for exoplanets and subdwarfs, and are essential for surveys such as Pan-STARRS and LSST, which use griz photometry but have no spectroscopic component.

Molecular and electronic structure, magnetotropicity and absorption spectra of benzene-trinuclear copper(I) and silver(I) trihalide columnar binary stacks.

PubMed

Tsipis, A C; Stalikas, A V

2012-02-20

The molecular and electronic structures, stabilities, bonding features, magnetotropicity and absorption spectra of benzene-trinuclear Cu(I) and Ag(I) trihalide columnar binary stacks with the general formula [c-M(3)(μ(2)-X)(3)](n)(C(6)H(6))(m) (M = Cu, Ag; X = halide; n, m ≤ 2) have been investigated by means of electronic structure calculation methods. The interaction of c-M(3)(μ(2)-X)(3) clusters with one and two benzene molecules yields 1:1 and 1:2 binary stacks, while benzene sandwiched 2:1 stacks are formed upon interaction of two c-M(3)(μ(2)-X)(3) clusters with one benzene molecule. In all binary stacks the plane of the alternating c-M(3)(μ(2)-X)(3) and benzene components adopts an almost parallel orientation. The separation distance between the centroids of the benzene and the proximal c-M(3)(μ(2)-X)(3) metallic cluster found in the range 2.97-3.33 Å at the B97D/Def2-TZVP level is indicative of a π···π stacking interaction mode, for the centroid separation distance is very close to the sum of the van der Waals radii of Cu···C (3.10 Å) and Ag···C (3.44 Å). Energy decomposition analysis (EDA) at the SSB-D/TZP level revealed that the dominant term in the c-M(3)(μ(2)-X)(3)···C(6)H(6) interaction arises from dispersion and electrostatic forces while the covalent interactions are predicted to be negligible. On the other hand, charge decomposition analysis (CDA) illustrated very small charge transfer from C(6)H(6) toward the c-M(3)(μ(2)-X)(3) clusters, thus reflecting weak π-base/π-acid interactions which are further corroborated by the respective electrostatic potentials and the fact that the total dipole moment vector points to the center of the metallic ring of the c-M(3)(μ(2)-X)(3) cluster. The absorption spectra of all aromatic columnar binary stacks simulated by means of TD-DFT calculations showed strong absorptions in the UV region. The main features of the simulated absorption spectra are thoroughly analyzed, and assignments of the contributing electronic transitions are given. The magnetotropicity of the binary stacks evaluated by the NICS(zz)-scan curves indicated an enhancement of the diatropicity of the inorganic ring upon interaction with the aromatic benzene molecule. Noteworthy is the slight enhancement of the diatropicity of the benzene ring, particularly in the region between the interacting rings, probably due to the superposition (coupling) of the diamagnetic ring currents of the interacting aromatic ring systems.

Ab initio modeling of complex amorphous transition-metal-based ceramics.

PubMed

Houska, J; Kos, S

2011-01-19

Binary and ternary amorphous transition metal (TM) nitrides and oxides are of great interest because of their suitability for diverse applications ranging from high-temperature machining to the production of optical filters or electrochromic devices. However, understanding of bonding in, and electronic structure of, these materials represents a challenge mainly due to the d electrons in their valence band. In the present work, we report ab initio calculations of the structure and electronic structure of ZrSiN materials. We focus on the methodology needed for the interpretation and automatic analysis of the bonding structure, on the effect of the length of the calculation on the convergence of individual quantities of interest and on the electronic structure of materials. We show that the traditional form of the Wannier function center-based algorithm fails due to the presence of d electrons in the valence band. We propose a modified algorithm, which allows one to analyze bonding structure in TM-based systems. We observe an appearance of valence p states of TM atoms in the electronic spectra of such systems (not only ZrSiN but also NbO(x) and WAuO), and examine the importance of the p states for the character of the bonding as well as for facilitating the bonding analysis. The results show both the physical phenomena and the computational methodology valid for a wide range of TM-based ceramics.

Transition metal nitride coated with atomic layers of Pt as a low-cost, highly stable electrocatalyst for the oxygen reduction reaction

DOE PAGES

Tian, Xinlong; Adzic, Radoslav R.; Luo, Junming; ...

2016-02-10

Here, the main challenges to the commercial viability of polymer electrolyte membrane fuel cells are (i) the high cost associated with using large amounts of Pt in fuel cell cathodes to compensate for the sluggish kinetics of the oxygen reduction reaction, (ii) catalyst degradation, and (iii) carbon-support corrosion. To address these obstacles, our group has focused on robust, carbon-free transition metal nitride materials with low Pt content that exhibit tunable physical and catalytic properties. Here, we report on the high performance of a novel catalyst with low Pt content, prepared by placing several layers of Pt atoms on nanoparticles ofmore » titanium nickel binary nitride. For the ORR, the catalyst exhibited a more than 400% and 200% increase in mass activity and specific activity, respectively, compared with the commercial Pt/C catalyst. It also showed excellent stability/durability, experiencing only a slight performance loss after 10,000 potential cycles, while TEM results showed its structure had remained intact. The catalyst’s outstanding performance may have resulted from the ultrahigh dispersion of Pt (several atomic layers coated on the nitride nanoparticles), and the excellent stability/durability may have been due to the good stability of nitride and synergetic effects between ultrathin Pt layer and the robust TiNiN support.« less

In Situ Electrochemical Oxidation Tuning of Transition Metal Disulfides to Oxides for Enhanced Water Oxidation

DOE PAGES

Chen, Wei; Wang, Haotian; Li, Yuzhang; ...

2015-07-15

The development of catalysts with earth-abundant elements for efficient oxygen evolution reactions is of paramount significance for clean and sustainable energy storage and conversion devices. Our group demonstrated recently that the electrochemical tuning of catalysts via lithium insertion and extraction has emerged as a powerful approach to improve catalytic activity. Here we report a novel in situ electrochemical oxidation tuning approach to develop a series of binary, ternary, and quaternary transition metal (e.g., Co, Ni, Fe) oxides from their corresponding sulfides as highly active catalysts for much enhanced water oxidation. The electrochemically tuned cobalt–nickel–iron oxides grown directly on the three-dimensionalmore » carbon fiber electrodes exhibit a low overpotential of 232 mV at current density of 10 mA cm –2, small Tafel slope of 37.6 mV dec –1, and exceptional long-term stability of electrolysis for over 100 h in 1 M KOH alkaline medium, superior to most non-noble oxygen evolution catalysts reported so far. The materials evolution associated with the electrochemical oxidation tuning is systematically investigated by various characterizations, manifesting that the improved activities are attributed to the significant grain size reduction and increase of surface area and electroactive sites. This work provides a promising strategy to develop electrocatalysts for large-scale water-splitting systems and many other applications.« less

Customized binary and multi-level HfO2-x-based memristors tuned by oxidation conditions.

PubMed

He, Weifan; Sun, Huajun; Zhou, Yaxiong; Lu, Ke; Xue, Kanhao; Miao, Xiangshui

2017-08-30

The memristor is a promising candidate for the next generation non-volatile memory, especially based on HfO 2-x , given its compatibility with advanced CMOS technologies. Although various resistive transitions were reported independently, customized binary and multi-level memristors in unified HfO 2-x material have not been studied. Here we report Pt/HfO 2-x /Ti memristors with double memristive modes, forming-free and low operation voltage, which were tuned by oxidation conditions of HfO 2-x films. As O/Hf ratios of HfO 2-x films increase, the forming voltages, SET voltages, and R off /R on windows increase regularly while their resistive transitions undergo from gradually to sharply in I/V sweep. Two memristors with typical resistive transitions were studied to customize binary and multi-level memristive modes, respectively. For binary mode, high-speed switching with 10 3 pulses (10 ns) and retention test at 85 °C (>10 4 s) were achieved. For multi-level mode, the 12-levels stable resistance states were confirmed by ongoing multi-window switching (ranging from 10 ns to 1 μs and completing 10 cycles of each pulse). Our customized binary and multi-level HfO 2-x -based memristors show high-speed switching, multi-level storage and excellent stability, which can be separately applied to logic computing and neuromorphic computing, further suitable for in-memory computing chip when deposition atmosphere may be fine-tuned.

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

PubMed

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

2012-09-03

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

A1540-53, an eclipsing X-ray binary pulsator

NASA Technical Reports Server (NTRS)

Becker, R. H.; Swank, J. H.; Boldt, E. A.; Holt, S. S.; Serlemitsos, P. J.; Pravdo, S. H.; Saba, J. R.

1977-01-01

An eclipsing X-ray binary pulsator consistent with the location of A1540-53 has been observed. The source pulse period was 528.93 + or - 0.10 s. The binary nature is confirmed by a Doppler curve for the pulsation period. The eclipse angle of 30.5 + or - 3 deg and the 4-hour transition to and from eclipse suggest an early-type giant or supergiant primary star.

Tidal Synchronization and Differential Rotation of Kepler Eclipsing Binaries

NASA Astrophysics Data System (ADS)

Lurie, John C.; Vyhmeister, Karl; Hawley, Suzanne L.; Adilia, Jamel; Chen, Andrea; Davenport, James R. A.; Jurić, Mario; Puig-Holzman, Michael; Weisenburger, Kolby L.

2017-12-01

Few observational constraints exist for the tidal synchronization rate of late-type stars, despite its fundamental role in binary evolution. We visually inspected the light curves of 2278 eclipsing binaries (EBs) from the Kepler Eclipsing Binary Catalog to identify those with starspot modulations, as well as other types of out-of-eclipse variability. We report rotation periods for 816 EBs with starspot modulations, and find that 79% of EBs with orbital periods of less than 10 days are synchronized. However, a population of short-period EBs exists, with rotation periods typically 13% slower than synchronous, which we attribute to the differential rotation of high-latitude starspots. At 10 days, there is a transition from predominantly circular, synchronized EBs to predominantly eccentric, pseudosynchronized EBs. This transition period is in good agreement with the predicted and observed circularization period for Milky Way field binaries. At orbital periods greater than about 30 days, the amount of tidal synchronization decreases. We also report 12 previously unidentified candidate δ Scuti and γ Doradus pulsators, as well as a candidate RS CVn system with an evolved primary that exhibits starspot occultations. For short-period contact binaries, we observe a period-color relation and compare it to previous studies. As a whole, these results represent the largest homogeneous study of tidal synchronization of late-type stars.

Self-assembly of metal nanostructures on binary alloy surfaces

PubMed Central

Duguet, T.; Han, Yong; Yuen, Chad; Jing, Dapeng; Ünal, Barış; Evans, J. W.; Thiel, P. A.

2011-01-01

Deposition of metals on binary alloy surfaces offers new possibilities for guiding the formation of functional metal nanostructures. This idea is explored with scanning tunneling microscopy studies and atomistic-level analysis and modeling of nonequilibrium island formation. For Au/NiAl(110), complex monolayer structures are found and compared with the simple fcc(110) bilayer structure recently observed for Ag/NiAl(110). We also consider a more complex codeposition system, (Ni + Al)/NiAl(110), which offers the opportunity for fundamental studies of self-growth of alloys including deviations for equilibrium ordering. A general multisite lattice-gas model framework enables analysis of structure selection and morphological evolution in these systems. PMID:21097706

Fragility and glass transition for binary mixtures of 1,2-propanediol and LiBF4

NASA Astrophysics Data System (ADS)

Terashima, Y.; Mori, M.; Sugimoto, N.; Takeda, K.

2014-04-01

The fragility and glass transition for binary mixtures of 1,2-propanediol and LiBF4 were investigated by measuring the heating rate dependence of glass transition temperature (Tg) using differential scanning calorimetry. With increasing LiBF4 mole fraction, x, up to 0.25, fragility, m, increased rapidly from 53 to 85, and then remained approximately unchanged for x > 0.25. The concentration dependences of Tg and heat capacity jump at Tg also showed anomalies around x = 0.25. We suggest this mixture transformed from a moderate to quite fragile liquid at x = 0.25 because of a structural change from a hydrogen-bonding- to ionic-interaction-dominant system.

Accreting binary population synthesis and feedback prescriptions

NASA Astrophysics Data System (ADS)

Fragos, Tassos

2016-04-01

Studies of extagalactic X-ray binary populations have shown that the characteristics of these populations depend strongly on the characteristics of the host galaxy's parent stellar population (e.g. star-formation history and metallicity). These dependencies not only make X-ray binaries promising for aiding in the measurement of galaxy properties themselves, but they also have important astrophysical and cosmological implications. For example, due to the relatively young stellar ages and primordial metallicities in the early Universe (z > 3), it is predicted that X-ray binaries were more luminous than today. The more energetic X-ray photons, because of their long mean-free paths, can escape the galaxies where they are produced, and interact at long distances with the intergalactic medium. This could result in a smoother spatial distribution of ionized regions, and more importantly in an overall warmer intergalactic medium. The energetic X-ray photons emitted from X-ray binaries dominate the X-ray radiation field over active galactic nuclei at z > 6 - 8, and hence Χ-ray binary feedback can be a non-negligible contributor to the heating and reionization of the inter-galactic medium in the early universe. The spectral energy distribution shape of the XRB emission does not change significantly with redshift, suggesting that the same XRB subpopulation, namely black-hole XRBs in the high-soft state, dominates the cumulative emission at all times. On the contrary, the normalization of the spectral energy distribution does evolve with redshift. To zeroth order, this evolution is driven by the cosmic star-formation rate evolution. However, the metallicity evolution of the universe and the mean stellar population age are two important factors that affect the X-ray emission from high-mass and low-mass XRBs, respectively. In this talk, I will review recent studies on the potential feedback from accreting binary populations in galactic and cosmological scales. Furthermore, I will discuss which are the next steps towards a more physically realisitc modelling of accreting compact object populations in the early Universe.

Thermodynamics and structural transition of binary atomic Bose-Fermi mixtures in box or harmonic potentials: A path-integral study

NASA Astrophysics Data System (ADS)

Kim, Tom; Chien, Chih-Chun

2018-03-01

Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin statistics. The binary atomic mixtures can exhibit a structural transition from a mixture into phase separation as the boson-fermion interaction increases. By using a path-integral formalism to evaluate the grand partition function and the thermodynamic grand potential, we obtain the effective potential of binary Bose-Fermi mixtures. Thermodynamic quantities in a broad range of temperatures and interactions are also derived. The structural transition can be identified as a loop of the effective potential curve, and the volume fraction of phase separation can be determined by the lever rule. For 6Li-7Li and 6Li-41K mixtures, we present the phase diagrams of the mixtures in a box potential at zero and finite temperatures. Due to the flexible densities of atomic gases, the construction of phase separation is more complicated when compared to conventional liquid or solid mixtures where the individual densities are fixed. For harmonically trapped mixtures, we use the local density approximation to map out the finite-temperature density profiles and present typical trap structures, including the mixture, partially separated phases, and fully separated phases.

Equivalent crystal theory of alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Ferrante, John

1991-01-01

Equivalent Crystal Theory (ECT) is a new, semi-empirical approach to calculating the energetics of a solid with defects. The theory has successfully reproduced surface energies in metals and semiconductors. The theory of binary alloys to date, both with first-principles and semi-empirical models, has not been very successful in predicting the energetics of alloys. This procedure is used to predict the heats of formation, cohesive energy, and lattice parameter of binary alloys of Cu, Ni, Al, Ag, Au, Pd, and Pt as functions of composition. The procedure accurately reproduces the heats of formation versus composition curves for a variety of binary alloys. The results are then compared with other approaches such as the embedded atom and lattice parameters of alloys from pure metal properties more accurately than Vegard's law is presented.

Thermosolutal convection during directional solidification. II - Flow transitions

NASA Technical Reports Server (NTRS)

Mcfadden, G. B.; Coriell, S. R.

1987-01-01

The influence of thermosolutal convection on solute segregation in crystals grown by vertical directional solidification of binary metallic alloys or semiconductors is studied. Finite differences are used in a two-dimensional time-dependent model which assumes a planar crystal-melt interface to obtain numerical results. It is assumed that the configuration is periodic in the horizontal direction. Consideration is given to the possibility of multiple flow states sharing the same period. The results are represented in bifurcation diagrams of the nonlinear states associated with the critical points of linear theory. Variations of the solutal Rayleigh number can lead to the occurrence of multiple steady states, time-periodic states, and quasi-periodic states. This case is compared to that of thermosolutal convection with linear vertical gradients and stress-free boundaries.

Formation of the first three gravitational-wave observations through isolated binary evolution

PubMed Central

Stevenson, Simon; Vigna-Gómez, Alejandro; Mandel, Ilya; Barrett, Jim W.; Neijssel, Coenraad J.; Perkins, David; de Mink, Selma E.

2017-01-01

During its first four months of taking data, Advanced LIGO has detected gravitational waves from two binary black hole mergers, GW150914 and GW151226, along with the statistically less significant binary black hole merger candidate LVT151012. Here we use the rapid binary population synthesis code COMPAS to show that all three events can be explained by a single evolutionary channel—classical isolated binary evolution via mass transfer including a common envelope phase. We show all three events could have formed in low-metallicity environments (Z=0.001) from progenitor binaries with typical total masses ≳160M⊙, ≳60M⊙ and ≳90M⊙, for GW150914, GW151226 and LVT151012, respectively. PMID:28378739

High-Speed Binary-Output Image Sensor

NASA Technical Reports Server (NTRS)

Fossum, Eric; Panicacci, Roger A.; Kemeny, Sabrina E.; Jones, Peter D.

1996-01-01

Photodetector outputs digitized by circuitry on same integrated-circuit chip. Developmental special-purpose binary-output image sensor designed to capture up to 1,000 images per second, with resolution greater than 10 to the 6th power pixels per image. Lower-resolution but higher-frame-rate prototype of sensor contains 128 x 128 array of photodiodes on complementary metal oxide/semiconductor (CMOS) integrated-circuit chip. In application for which it is being developed, sensor used to examine helicopter oil to determine whether amount of metal and sand in oil sufficient to warrant replacement.

Structural difference rule for amorphous alloy formation by ion mixing

NASA Technical Reports Server (NTRS)

Liu, B.-X.; Johnson, W. L.; Nicolet, M.A.; Lau, S. S.

1983-01-01

A rule is formulated which establishes a sufficient condition that an amorphous binary alloy will be formed by ion mixing of multilayered samples when the two constituent metals are of different crystalline structure, regardless of their atomic sizes and electronegativities. The rule is supported by the experimental results obtained on six selected binary metal systems, as well as by the previous data reported in the literature. The amorphization mechanism is discussed in terms of the competition between two different structures resulting in frustration of the crystallization process.

The Mass-Luminosity-Metallicity Relation for M Dwarfs

NASA Astrophysics Data System (ADS)

Mann, Andrew; Dupuy, Trent; Rizzuto, Aaron; Kraus, Adam; Gaidos, Eric; Ansdell, Megan

2018-01-01

One of the most powerful tools for stellar characterization is the mass-luminosity relation (MLR). In addition to its use for characterizing exoplanet hosts, the MLR for late-type stars is critical to measuring the stellar IMF, testing isochrones, and studies of Galactic archeology. However, existing MLRs do not fully account for metallicity effects, do not extend down to the substellar boundary, and are not precise enough to take full advantage of the impending arrival of Gaia parallaxes for millions of late-type stars. For two years we monitored 72 nearby M-dwarf astrometric binaries using adaptive optics and non-redundant aperture masking, with the goal of better constraining the MLR. We combined our astrometry with measurements from the literature and Keck archive to measure orbits, masses, and flux ratios of all binaries in JHK bands. In parallel, we obtained moderate-resolution NIR spectra of all binaries, from which we determine empirical metallicities for each system. We derived an updated MLR-metallicity relation that spans most of the M dwarf sequence (K5 to M7) and the metallicity range expected in the solar neighborhood (-0.5 < [M/H] +0.4). With this we explored the role metallicity plays in the MLR. With our revised relation and Gaia-precision parallaxes, it will soon be possible to calculate empirical masses of nearby M dwarfs to better than 2%, and future studies will enable us to extend our relation to more metal-poor stars and explore the role of youth and evolution of the MLR for M dwarfs.

Equipment of the binary-cycle geothermal power unit at the Pauzhet geothermal power station

NASA Astrophysics Data System (ADS)

Tomarov, G. V.; Nikol'skii, A. I.; Semenov, V. N.; Shipkov, A. A.

2014-06-01

The equipment of and technological processes in the pilot industrial model of the domestically produced binary-cycle geothermal power unit operating on the discharge separate at the Pauzhet geothermal power station are considered. The development principles, the design and operational features, and the data on selecting the metal in manufacturing the main equipment of the 2.5-MW binary power unit of the geothermal power station are described.

One-pot synthesis of binary metal organic frameworks (HKUST-1 and UiO-66) for enhanced adsorptive removal of water contaminants.

PubMed

Azhar, Muhammad Rizwan; Abid, Hussein Rasool; Sun, Hongqi; Periasamy, Vijay; Tadé, Moses O; Wang, Shaobin

2017-03-15

In this study, binary metal organic frameworks (MOFs) with HKUST-1 and UiO-66 have been synthesized in a one-pot process. The synthesized MOFs were characterized by Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), N 2 adsorption, and thermogravimetric analysis (TGA). The meso-porosity and thermal stability of the binary MOFs were higher than those of single HKUST-1 or UiO-66. The synthesized MOF hybrids were then tested for adsorptive removal of methylene blue (MB) from wastewater in terms of kinetic and isothermal adsorption as compared to a commercially available activated carbon (AC). All the synthesized MOFs showed significant removal of MB under a wide range of pH. The adsorption capacities of HKUST-1 are higher than UiO-66 and commercial AC while the binary MOFs presented an even higher adsorption capacity than single MOFs. This is the first time that binary HKUST-1 and UiO-66 MOFs have been successfully synthesized and demonstrated enhanced adsorptive removal of contaminants. Copyright © 2016 Elsevier Inc. All rights reserved.

A1540-53, an eclipsing X-ray binary pulsator

NASA Technical Reports Server (NTRS)

Becker, R. H.; Swank, J. H.; Boldt, E. A.; Holt, S. S.; Pravdo, S. H.; Saba, J. R.; Serlemitsos, P. J.

1977-01-01

An eclipsing X-ray binary pulsator consistent with the location of A1540-53 was observed. The source pulse period was 528.93 plus or minus 0.10 seconds. The binary nature is confirmed by a Doppler curve for the pulsation period. The eclipse angle of 30.5 deg plus or minus 3 deg and the 4 h transition to and from eclipse suggest an early type, giant or supergiant, primary star.

Synthesis of electroactive ionic liquids for flow battery applications

DOEpatents

Anderson, Travis Mark; Ingersoll, David; Staiger, Chad; Pratt, Harry

2015-09-01

The present disclosure is directed to synthesizing metal ionic liquids with transition metal coordination cations, where such metal ionic liquids can be used in a flow battery. A cation of a metal ionic liquid includes a transition metal and a ligand coordinated to the transition metal.

Redox chemistry of a binary transition metal oxide (AB 2 O 4 ): a study of the Cu 2+ /Cu 0 and Fe 3+ /Fe 0 interconversions observed upon lithiation in a CuFe 2 O 4 battery using X-ray absorption spectroscopy

DOE PAGES

Cama, Christina A.; Pelliccione, Christopher J.; Brady, Alexander B.; ...

2016-06-06

Copper ferrite, CuFe 2 O 4, is a promising candidate for application as a high energy electrode material in lithium based batteries. Mechanistic insight on the electrochemical reduction and oxidation processes was gained through the first X-ray absorption spectroscopic study of lithiation and delithiation of CuFe 2 O 4. A phase pure tetragonal CuFe 2 O 4 material was prepared and characterized using laboratory and synchrotron X-ray diffraction, Raman spectroscopy, and transmission electron microscopy. We used ex situ X-ray absorption spectroscopy (XAS) measurements to study the battery redox processes at the Fe and Cu K-edges, using X-ray absorption near-edge structuremore » (XANES), extended X-ray absorption fine structure (EXAFS), and transmission X-ray microscopy (TXM) spectroscopies. EXAFS analysis showed upon discharge, an initial conversion of 50% of the copper(II) to copper metal positioned outside of the spinel structure, followed by a migration of tetrahedral iron(III) cations to octahedral positions previously occupied by copper(II). Then, upon charging to 3.5 V, the copper metal remained in the metallic state, while iron metal oxidation to iron(III) was achieved. Our results provide new mechanistic insight regarding the evolution of the local coordination environments at the iron and copper centers upon discharging and charging.« less

Redox chemistry of a binary transition metal oxide (AB2O4): a study of the Cu(2+)/Cu(0) and Fe(3+)/Fe(0) interconversions observed upon lithiation in a CuFe2O4 battery using X-ray absorption spectroscopy.

PubMed

Cama, Christina A; Pelliccione, Christopher J; Brady, Alexander B; Li, Jing; Stach, Eric A; Wang, Jiajun; Wang, Jun; Takeuchi, Esther S; Takeuchi, Kenneth J; Marschilok, Amy C

2016-06-22

Copper ferrite, CuFe2O4, is a promising candidate for application as a high energy electrode material in lithium based batteries. Mechanistic insight on the electrochemical reduction and oxidation processes was gained through the first X-ray absorption spectroscopic study of lithiation and delithiation of CuFe2O4. A phase pure tetragonal CuFe2O4 material was prepared and characterized using laboratory and synchrotron X-ray diffraction, Raman spectroscopy, and transmission electron microscopy. Ex situ X-ray absorption spectroscopy (XAS) measurements were used to study the battery redox processes at the Fe and Cu K-edges, using X-ray absorption near-edge structure (XANES), extended X-ray absorption fine structure (EXAFS), and transmission X-ray microscopy (TXM) spectroscopies. EXAFS analysis showed upon discharge, an initial conversion of 50% of the copper(ii) to copper metal positioned outside of the spinel structure, followed by a migration of tetrahedral iron(iii) cations to octahedral positions previously occupied by copper(ii). Upon charging to 3.5 V, the copper metal remained in the metallic state, while iron metal oxidation to iron(iii) was achieved. The results provide new mechanistic insight regarding the evolution of the local coordination environments at the iron and copper centers upon discharging and charging.

Converting topological insulators into topological metals within the tetradymite family

NASA Astrophysics Data System (ADS)

Chen, K.-W.; Aryal, N.; Dai, J.; Graf, D.; Zhang, S.; Das, S.; Le Fèvre, P.; Bertran, F.; Yukawa, R.; Horiba, K.; Kumigashira, H.; Frantzeskakis, E.; Fortuna, F.; Balicas, L.; Santander-Syro, A. F.; Manousakis, E.; Baumbach, R. E.

2018-04-01

We report the electronic band structures and concomitant Fermi surfaces for a family of exfoliable tetradymite compounds with the formula T2C h2P n , obtained as a modification to the well-known topological insulator binaries Bi2(Se,Te ) 3 by replacing one chalcogen (C h ) with a pnictogen (P n ) and Bi with the tetravalent transition metals T = Ti, Zr, or Hf. This imbalances the electron count and results in layered metals characterized by relatively high carrier mobilities and bulk two-dimensional Fermi surfaces whose topography is well-described by first-principles calculations. Intriguingly, slab electronic structure calculations predict Dirac-like surface states. In contrast to Bi2Se3 , where the surface Dirac bands are at the Γ point, for (Zr,Hf ) 2Te2 (P,As) there are Dirac cones of strong topological character around both the Γ ¯ and M ¯ points, which are above and below the Fermi energy, respectively. For Ti2Te2P , the surface state is predicted to exist only around the M ¯ point. In agreement with these predictions, the surface states that are located below the Fermi energy are observed by angle-resolved photoemission spectroscopy measurements, revealing that they coexist with the bulk metallic state. Thus this family of materials provides a foundation upon which to develop novel phenomena that exploit both the bulk and surface states (e.g., topological superconductivity).

Uniform phases in fluids of hard isosceles triangles: One-component fluid and binary mixtures

NASA Astrophysics Data System (ADS)

Martínez-Ratón, Yuri; Díaz-De Armas, Ariel; Velasco, Enrique

2018-05-01

We formulate the scaled particle theory for a general mixture of hard isosceles triangles and calculate different phase diagrams for the one-component fluid and for certain binary mixtures. The fluid of hard triangles exhibits a complex phase behavior: (i) the presence of a triatic phase with sixfold symmetry, (ii) the isotropic-uniaxial nematic transition is of first order for certain ranges of aspect ratios, and (iii) the one-component system exhibits nematic-nematic transitions ending in critical points. We found the triatic phase to be stable not only for equilateral triangles but also for triangles of similar aspect ratios. We focus the study of binary mixtures on the case of symmetric mixtures: equal particle areas with aspect ratios (κi) symmetric with respect to the equilateral one, κ1κ2=3 . For these mixtures we found, aside from first-order isotropic-nematic and nematic-nematic transitions (the latter ending in a critical point): (i) a region of triatic phase stability even for mixtures made of particles that do not form this phase at the one-component limit, and (ii) the presence of a Landau point at which two triatic-nematic first-order transitions and a nematic-nematic demixing transition coalesce. This phase behavior is analogous to that of a symmetric three-dimensional mixture of rods and plates.

4f fine-structure levels as the dominant error in the electronic structures of binary lanthanide oxides.

PubMed

Huang, Bolong

2016-04-05

The ground-state 4f fine-structure levels in the intrinsic optical transition gaps between the 2p and 5d orbitals of lanthanide sesquioxides (Ln2 O3 , Ln = La…Lu) were calculated by a two-way crossover search for the U parameters for DFT + U calculations. The original 4f-shell potential perturbation in the linear response method were reformulated within the constraint volume of the given solids. The band structures were also calculated. This method yields nearly constant optical transition gaps between Ln-5d and O-2p orbitals, with magnitudes of 5.3 to 5.5 eV. This result verifies that the error in the band structure calculations for Ln2 O3 is dominated by the inaccuracies in the predicted 4f levels in the 2p-5d transition gaps, which strongly and non-linearly depend on the on-site Hubbard U. The relationship between the 4f occupancies and Hubbard U is non-monotonic and is entirely different from that for materials with 3d or 4d orbitals, such as transition metal oxides. This new linear response DFT + U method can provide a simpler understanding of the electronic structure of Ln2 O3 and enables a quick examination of the electronic structures of lanthanide solids before hybrid functional or GW calculations. © 2015 Wiley Periodicals, Inc.

Method for dry etching of transition metals

DOEpatents

Ashby, C.I.H.; Baca, A.G.; Esherick, P.; Parmeter, J.E.; Rieger, D.J.; Shul, R.J.

1998-09-29

A method for dry etching of transition metals is disclosed. The method for dry etching of a transition metal (or a transition metal alloy such as a silicide) on a substrate comprises providing at least one nitrogen- or phosphorus-containing {pi}-acceptor ligand in proximity to the transition metal, and etching the transition metal to form a volatile transition metal/{pi}-acceptor ligand complex. The dry etching may be performed in a plasma etching system such as a reactive ion etching (RIE) system, a downstream plasma etching system (i.e. a plasma afterglow), a chemically-assisted ion beam etching (CAIBE) system or the like. The dry etching may also be performed by generating the {pi}-acceptor ligands directly from a ligand source gas (e.g. nitrosyl ligands generated from nitric oxide), or from contact with energized particles such as photons, electrons, ions, atoms, or molecules. In some preferred embodiments of the present invention, an intermediary reactant species such as carbonyl or a halide ligand is used for an initial chemical reaction with the transition metal, with the intermediary reactant species being replaced at least in part by the {pi}-acceptor ligand for forming the volatile transition metal/{pi}-acceptor ligand complex.

Method for dry etching of transition metals

DOEpatents

Ashby, Carol I. H.; Baca, Albert G.; Esherick, Peter; Parmeter, John E.; Rieger, Dennis J.; Shul, Randy J.

1998-01-01

A method for dry etching of transition metals. The method for dry etching of a transition metal (or a transition metal alloy such as a silicide) on a substrate comprises providing at least one nitrogen- or phosphorous-containing .pi.-acceptor ligand in proximity to the transition metal, and etching the transition metal to form a volatile transition metal/.pi.-acceptor ligand complex. The dry etching may be performed in a plasma etching system such as a reactive ion etching (RIE) system, a downstream plasma etching system (i.e. a plasma afterglow), a chemically-assisted ion beam etching (CAIBE) system or the like. The dry etching may also be performed by generating the .pi.-acceptor ligands directly from a ligand source gas (e.g. nitrosyl ligands generated from nitric oxide), or from contact with energized particles such as photons, electrons, ions, atoms, or molecules. In some preferred embodiments of the present invention, an intermediary reactant species such as carbonyl or a halide ligand is used for an initial chemical reaction with the transition metal, with the intermediary reactant species being replaced at least in part by the .pi.-acceptor ligand for forming the volatile transition metal/.pi.-acceptor ligand complex.

Metal hydrides as negative electrode materials for Ni- MH batteries

NASA Astrophysics Data System (ADS)

Yartys, V.; Noreus, D.; Latroche, M.

2016-01-01

Structural, thermodynamical and electrochemical properties of metallic hydrides belonging to the pseudo-binary family A-Mg-Ni ( A: rare earths) are reviewed and compared. Technology aspects of bipolar cells are also discussed.

Nucleic acid-functionalized transition metal nanosheets for biosensing applications

PubMed Central

Mo, Liuting; Li, Juan; Liu, Qiaoling; Qiu, Liping; Tan, Weihong

2017-01-01

In clinical diagnostics, as well as food and environmental safety practices, biosensors are powerful tools for monitoring biological or biochemical processes. Two-dimensional (2D) transition metal nanomaterials, including transition metal chalcogenides (TMCs) and transition metal oxides (TMOs), are receiving growing interest for their use in biosensing applications based on such unique properties as high surface area and fluorescence quenching abilities. Meanwhile, nucleic acid probes based on Watson-Crick base-pairing rules are also being widely applied in biosensing based on their excellent recognition capability. In particular, the emergence of functional nucleic acids in the 1980s, especially aptamers, has substantially extended the recognition capability of nucleic acids to various targets, ranging from small organic molecules and metal ions to proteins and cells. Based on π-π stacking interaction between transition metal nanosheets and nucleic acids, biosensing systems can be easily assembled. Therefore, the combination of 2D transition metal nanomaterials and nucleic acids brings intriguing opportunities in bioanalysis and biomedicine. In this review, we summarize recent advances of nucleic acid-functionalized transition metal nanosheets in biosensing applications. The structure and properties of 2D transition metal nanomaterials are first discussed, emphasizing the interaction between transition metal nanosheets and nucleic acids. Then, the applications of nucleic acid-functionalized transition metal nanosheet-based biosensors are discussed in the context of different signal transducing mechanisms, including optical and electrochemical approaches. Finally, we provide our perspectives on the current challenges and opportunities in this promising field. PMID:27020066

Nucleic acid-functionalized transition metal nanosheets for biosensing applications.

PubMed

Mo, Liuting; Li, Juan; Liu, Qiaoling; Qiu, Liping; Tan, Weihong

2017-03-15

In clinical diagnostics, as well as food and environmental safety practices, biosensors are powerful tools for monitoring biological or biochemical processes. Two-dimensional (2D) transition metal nanomaterials, including transition metal chalcogenides (TMCs) and transition metal oxides (TMOs), are receiving growing interest for their use in biosensing applications based on such unique properties as high surface area and fluorescence quenching abilities. Meanwhile, nucleic acid probes based on Watson-Crick base-pairing rules are also being widely applied in biosensing based on their excellent recognition capability. In particular, the emergence of functional nucleic acids in the 1980s, especially aptamers, has substantially extended the recognition capability of nucleic acids to various targets, ranging from small organic molecules and metal ions to proteins and cells. Based on π-π stacking interaction between transition metal nanosheets and nucleic acids, biosensing systems can be easily assembled. Therefore, the combination of 2D transition metal nanomaterials and nucleic acids brings intriguing opportunities in bioanalysis and biomedicine. In this review, we summarize recent advances of nucleic acid-functionalized transition metal nanosheets in biosensing applications. The structure and properties of 2D transition metal nanomaterials are first discussed, emphasizing the interaction between transition metal nanosheets and nucleic acids. Then, the applications of nucleic acid-functionalized transition metal nanosheet-based biosensors are discussed in the context of different signal transducing mechanisms, including optical and electrochemical approaches. Finally, we provide our perspectives on the current challenges and opportunities in this promising field. Copyright © 2016 Elsevier B.V. All rights reserved.

A versatile single molecular precursor for the synthesis of layered oxide cathode materials for Li-ion batteries.

PubMed

Li, Maofan; Liu, Jiajie; Liu, Tongchao; Zhang, Mingjian; Pan, Feng

2018-02-01

A carbonyl-bridged single molecular precursor LiTM(acac) 3 [transition metal (TM) = cobalt/manganese/nickel (Co/Mn/Ni), acac = acetylacetone], featuring a one-dimensional chain structure, was designed and applied to achieve the layered oxide cathode materials: LiTMO 2 (TM = Ni/Mn/Co, NMC). As examples, layered oxides, primary LiCoO 2 , binary LiNi 0.8 Co 0.2 O 2 and ternary LiNi 0.5 Mn 0.3 Co 0.2 O 2 were successfully prepared to be used as cathode materials. When they are applied to lithium-ion batteries (LIBs), all exhibit good electrochemical performance because of their unique morphology and great uniformity of element distribution. This versatile precursor is predicted to accommodate many other metal cations, such as aluminum (Al 3+ ), iron (Fe 2+ ), and sodium (Na + ), because of the flexibility of organic ligand, which not only facilitates the doping-modification of the NMC system, but also enables synthesis of Na-ion layered oxides. This opens a new direction of research for the synthesis of high-performance layered oxide cathode materials for LIBs.

Elastic properties, thermal stability, and thermodynamic parameters of MoAlB

NASA Astrophysics Data System (ADS)

Kota, Sankalp; Agne, Matthias; Zapata-Solvas, Eugenio; Dezellus, Olivier; Lopez, Diego; Gardiola, Bruno; Radovic, Miladin; Barsoum, Michel W.

2017-04-01

MoAlB is the first and, so far, the only transition-metal boride that forms alumina when heated in air and is thus potentially useful for high-temperature applications. Herein, the thermal stability in argon and vacuum atmospheres and the thermodynamic parameters of bulk polycrystalline MoAlB were investigated experimentally. At temperatures above 1708 K, in vacuum and inert atmospheres, this compound incongruently melts into the binary MoB and liquid aluminum metal as confirmed by differential thermal analysis, quenching experiments, x-ray diffraction, and scanning electron microscopy. Making use of that information together with heat-capacity measurements in the 4-1000-K temperature range—successfully modeled as the sum of lattice, electronic, and dilation contributions—the standard enthalpy, entropy, and free energy of formation are computed and reported for the full temperature range. The standard enthalpy of formation of MoAlB at 298 K was found to be -132 ±3.2 kJ/mol. Lastly, the thermal conductivity values are computed and modeled using a variation of the Slack model in the 300-1600-K temperature range.

Anisotropic surface melting in lyotropic cubic crystals: part 2: facet-by-facet melting at Ia3d/vapor interfaces.

PubMed

Leroy, S; Grenier, J; Rohe, D; Even, C; Pieranski, P

2006-05-01

From experiments with metal crystals, in the vicinity of their crystal/liquid/vapor triple points, it is known that melting of crystals starts on their surfaces and is anisotropic. Recently, we have shown that anisotropic surface melting occurs also in lyotropic systems. In our previous paper (Eur. Phys. J. E 19, 223 (2006)), we have focused on the case of poor faceting at the Pn3m/L1 interface in C12EO2/water binary mixtures. There anisotropic melting occurs in the vicinity of a Pn3m/L3/L1 triple point. In the present paper, we focus on the opposite case of a rich devil's-staircase-type faceting at Ia3d/vapor interfaces in monoolein/water and phytantriol/water mixtures. We show that anisotropic surface melting takes place in these systems in a narrow humidity range close to the Ia3d-L2 transition. As whole (hkl) sets of facets disappear one after another when the transition is approached, surface melting occurs in a facet-by-facet type.

Hot gas, regenerative, supported H.sub.2 S sorbents

NASA Technical Reports Server (NTRS)

Voecks, Gerald E. (Inventor); Sharma, Pramod K. (Inventor)

1993-01-01

Efficient, regenerable sorbents for removal of H.sub.2 S from moderately high temperature (usually 200.degree. C.-550.degree.C.) gas streams comprise a porous, high surface area aluminosilicate support, suitably a zeolite, and most preferably a sodium deficient zeolite containing 1 to 20 weight percent of binary metal oxides. The binary oxides are a mixture of a Group VB or VIB metal oxide with a Group IB, IIB or VIII metal oxide such as V-Zn-O, V-Cu-O, Cu-Mo-O, Zn-Mo-O or Fe-Mo-O contained in the support. The sorbent effectively removes H.sub.2 S from the host gas stream in high efficiency and can be repetitively regenerated at least 10 times without loss of activity.

Physical Properties and Evolutionary States of EA-type Eclipsing Binaries Observed by LAMOST

NASA Astrophysics Data System (ADS)

Qian, S.-B.; Zhang, J.; He, J.-J.; Zhu, L.-Y.; Zhao, E.-G.; Shi, X.-D.; Zhou, X.; Han, Z.-T.

2018-03-01

About 3196 EA-type binaries (EAs) were observed by LAMOST by 2017 June 16 and their spectral types were derived. Meanwhile, the stellar atmospheric parameters of 2020 EAs were determined. In this paper, those EAs are cataloged and their physical properties and evolutionary states are investigated. The period distribution of EAs suggests that the period limit of tidal locking for the close binaries is about 6 days. It is found that the metallicity of EAs is higher than that of EW-type binaries (EWs), indicating that EAs are generally younger than EWs and they are the progenitors of EWs. The metallicities of long-period EWs (0.4< P< 1 days) are the same as those of EAs with the same periods, while their values of Log (g) are usually smaller than those of EAs. These support the evolutionary process that EAs evolve into long-period EWs through the combination of angular momentum loss (AML) via magnetic braking and case A mass transfer. For short-period EWs, their metallicities are lower than those of EAs, while their gravitational accelerations are higher. These reveal that they may be formed from cool short-period EAs through AML via magnetic braking with little mass transfer. For some EWs with high metallicities, they may be contaminated by material from the evolution of unseen neutron stars and black holes or they have third bodies that may help them to form rapidly through a short timescale of pre-contact evolution. The present investigation suggests that the modern EW populations may have formed through a combination of these mechanisms.

Spectroscopy of hot subdwarf binaries

NASA Astrophysics Data System (ADS)

Kreuzer, Simon; Irrgang, Andreas; Heber, Ulrich

2018-06-01

We present a status report of our spectroscopic analysis of subdwarf binaries consisting of a subdwarf and a F/G/K-type main-sequence companion. These systems selected from SDSS photometry show significant excess in the (infra-)red which can not be explained by interstellar reddening. Inspection of SDSS spectra revealed that most of them are composite spectrum sdB binaries. Once their spectra are disentangled, a detailed spectral analysis can be carried out. It reveals Teff, log g and the metal abundance of each individual star. The cool companion is of particular interest, because its spectrum reveals the original chemical composition of the binary.

Solidification phenomena of binary organic mixtures

NASA Technical Reports Server (NTRS)

Chang, K.

1982-01-01

The coalescence rates and motion of liquid bubbles in binary organic mixtures were studied. Several factors such as temperature gradient, composition gradient, interfacial tension, and densities of the two phases play important roles in separation of phases of immiscible liquids. An attempt was made to study the effect of initial compositions on separation rates of well-dispersed organic mixtures at different temperatures and, ultimately, on the homogeneity of solidification of the immiscible binary organic liquids. These organic mixtures serve as models for metallic pseudo binary systems under study. Two specific systems were investigated: ethyl salicylate - diethyl glycol and succinonitrile - water.

Compositional dependence of elastic moduli for transition-metal oxide spinels

NASA Astrophysics Data System (ADS)

Reichmann, H. J.; Jacobsen, S. D.; Boffa Ballaran, T.

2012-12-01

Spinel phases (AB2O4) are common non-silicate oxides in the Earth's crust and upper mantle. A characteristic of this mineral group is the ability to host a wide range of transition metals. Here we summarize the influence of transition metals (Fe, Zn, and Mn) on the pressure dependence of elastic moduli of related spinels (magnetite, gahnite, and franklinite) using GHz-ultrasonic interferometry. Measurements were carried out up to 10 GPa in diamond-anvil cells using hydrostatic pressure media. Transition metals with unfilled 3d orbitals strongly influence the elastic properties of spinels. Franklinite (Zn,Mn)Fe2O4 and magnetite Fe3O4 with transition metals on both A and B cation sites exhibit pressure-induced mode softening of C44, whereas C44 of gahnite(ZnAl2O4) and spinel (MgAl2O4) exhibit positive pressure derivatives of the shear moduli. Spinels with two transition elements tend to undergo phase changes at a lower pressure than those with none or only one transition metal. Along the Mn-Zn solid solution, the variation of moduli with composition is non-linear, and a mid-range franklinite composition studied here shows a minimum in C44 compared with either end-member: MnFe2O 4 or ZnFe2O4. In general, the linear variation of sound velocity with density (Birch's Law) is followed by spinels, however spinels containing only one or no transition metals follow a distinct slope from those containing transition metals on both A and B sites. The Cauchy relation, 0.5(C12 - C44) = P is fulfilled by spinels with only one or no transition metals, suggesting that that Coulomb interactions dominate. Spinels with two transition metals fail to meet the Cauchy relation, indicating strong directional dependence and covalent character of bonding. The bonding character of transition metals is crucial to understanding the elastic behavior of natural and synthetic spinel solid solutions containing transition metals.

Valence-electron configuration of Fe, Cr, and Ni in binary and ternary alloys from Kβ -to- Kα x-ray intensity ratios

NASA Astrophysics Data System (ADS)

Han, I.; Demir, L.

2009-11-01

Kβ -to- Kα x-ray intensity ratios of Fe, Cr, and Ni have been measured in pure metals and in alloys of FexNi1-x ( x=0.8 , 0.7, 0.6, 0.5, 0.4, 0.3, and 0.2), NixCr1-x ( x=0.8 , 0.6, 0.5, 0.4, and 0.2), FexCr1-x ( x=0.9 , 0.7, and 0.5), and FexCryNi1-(x+y) ( x=0.7-y=0.1 , x=0.5-y=0.2 , x=0.4-y=0.3 , x=0.3-y=0.3 , x=0.2-y=0.2 , and x=0.1-y=0.2 ) following excitation by 22.69 keV x rays from a 10 mCi C109d radioactive point source. The valence-electron configurations of these metals were determined by corporation of measured Kβ -to- Kα x-ray intensity ratios with the results of multiconfiguration Dirac-Fock calculation for various valence-electron configurations. Valence-electron configurations of 3d transition metals in alloys indicate significant differences with respect to the pure metals. Our analysis indicates that these differences arise from delocalization and/or charge transfer phenomena in alloys. Namely, the observed change of the valence-electron configurations of metals in alloys can be explained with the transfer of 3d electrons from one element to the other element and/or the rearrangement of electrons between 3d and 4s,4p states of individual metal atoms.

VizieR Online Data Catalog: Binary systems among nearby dwarfs searching (Khovritchev+, 2018)

NASA Astrophysics Data System (ADS)

Khovritchev, M. Yu.; Apetyan, A. A.; Roshchina, E. A.; Izmailov, I. S.; Bikulova, D. A.; Ershova, A. P.; Balyaev, I. A.; Kulikova, A. M.; Petjur, V. V.; Shumilov, A. A.; Oskina, K. I.; Maksimova, L. A.

2018-03-01

All results are collected in three tables: saturn1m-bc.dat, saturn1m-sdss-bc.dat and sdss-bc.dat. They have the same byte-by-byte description. The tables contain the estimates of spatial parameters of binaries (rho and d_m), relative ellipticity and asymmetry index. In addition, the positions, proper motions, photometric magnitudes, parallaxes and metallicities are presented. All stars listed in these tables are binary candidates. (3 data files).

Binary CMOS image sensor with a gate/body-tied MOSFET-type photodetector for high-speed operation

NASA Astrophysics Data System (ADS)

Choi, Byoung-Soo; Jo, Sung-Hyun; Bae, Myunghan; Kim, Sang-Hwan; Shin, Jang-Kyoo

2016-05-01

In this paper, a binary complementary metal oxide semiconductor (CMOS) image sensor with a gate/body-tied (GBT) metal oxide semiconductor field effect transistor (MOSFET)-type photodetector is presented. The sensitivity of the GBT MOSFET-type photodetector, which was fabricated using the standard CMOS 0.35-μm process, is higher than the sensitivity of the p-n junction photodiode, because the output signal of the photodetector is amplified by the MOSFET. A binary image sensor becomes more efficient when using this photodetector. Lower power consumptions and higher speeds of operation are possible, compared to the conventional image sensors using multi-bit analog to digital converters (ADCs). The frame rate of the proposed image sensor is over 2000 frames per second, which is higher than those of the conventional CMOS image sensors. The output signal of an active pixel sensor is applied to a comparator and compared with a reference level. The 1-bit output data of the binary process is determined by this level. To obtain a video signal, the 1-bit output data is stored in the memory and is read out by horizontal scanning. The proposed chip is composed of a GBT pixel array (144 × 100), binary-process circuit, vertical scanner, horizontal scanner, and readout circuit. The operation mode can be selected from between binary mode and multi-bit mode.

Monitoring bisphosphonate surface functionalization and acid stability of hierarchically porous titanium zirconium oxides.

PubMed

Ide, Andreas; Drisko, Glenna L; Scales, Nicholas; Luca, Vittorio; Schiesser, Carl H; Caruso, Rachel A

2011-11-01

To take advantage of the full potential of functionalized transition metal oxides, a well-understood nonsilane based grafting technique is required. The functionalization of mixed titanium zirconium oxides was studied in detail using a bisphosphonic acid, featuring two phosphonic acid groups with high surface affinity. The bisphosphonic acid employed was coupled to a UV active benzamide moiety in order to track the progress of the surface functionalization in situ. Using different material compositions, altering the pH environment, and looking at various annealing conditions, key features of the functionalization process were identified that consequently will allow for intelligent material design. Loading with bisphosphonic acid was highest on supports calcined at 650 °C compared to lower calcination temperatures: A maximum capacity of 0.13 mmol g(-1) was obtained and the adsorption process could be modeled with a pseudo-second-order rate relationship. Heating at 650 °C resulted in a phase transition of the mixed binary oxide to a ternary oxide, titanium zirconium oxide in the srilankite phase. This phase transition was crucial in order to achieve high loading of the bisphosphonic acid and enhanced chemical stability in highly acidic solutions. Due to the inert nature of phosphorus-oxygen-metal bonds, materials functionalized by bisphosphonic acids showed increased chemical stability compared to their nonfunctionalized counterparts in harshly acidic solutions. Leaching studies showed that the acid stability of the functionalized material was improved with a partially crystalline srilankite phase. The materials were characterized using nitrogen sorption, X-ray powder diffraction, and UV-vis spectroscopy; X-ray photoelectron spectroscopy was used to study surface coverage with the bisphosphonic acid molecules.

Experimental evidence for excess entropy discontinuities in glass-forming solutions.

PubMed

Lienhard, Daniel M; Zobrist, Bernhard; Zuend, Andreas; Krieger, Ulrich K; Peter, Thomas

2012-02-21

Glass transition temperatures T(g) are investigated in aqueous binary and multi-component solutions consisting of citric acid, calcium nitrate (Ca(NO(3))(2)), malonic acid, raffinose, and ammonium bisulfate (NH(4)HSO(4)) using a differential scanning calorimeter. Based on measured glass transition temperatures of binary aqueous mixtures and fitted binary coefficients, the T(g) of multi-component systems can be predicted using mixing rules. However, the experimentally observed T(g) in multi-component solutions show considerable deviations from two theoretical approaches considered. The deviations from these predictions are explained in terms of the molar excess mixing entropy difference between the supercooled liquid and glassy state at T(g). The multi-component mixtures involve contributions to these excess mixing entropies that the mixing rules do not take into account. © 2012 American Institute of Physics

Wetting phenomenon in the liquid-vapor phase coexistence of a partially miscible Lennard-Jones binary mixture

NASA Astrophysics Data System (ADS)

Ramírez-Santiago, Guillermo; Díaz-Herrera, Enrique; Moreno Razo, José A.

2004-03-01

We have carried out extensive equilibrium MD simulations to study wetting phenomena in the liquid-vapor phase coexistence of a partially miscible binary LJ mixture. We find that in the temperature range 0.60 ≤ T^* < 0.80, the system separates forming a liquid A-liquid B interface in coexistence with the vapor phase. At higher temperatures, 0.80 ≤ T^* < 1.25 the liquid phases are wet by the vapor phase. By studying the behavior of the surface tension as a function of temperature we estimate the wetting transition temperature (WTT) to be T^*_w≃ 0.80. The adsorption of molecules at the liquid-liquid interface shows a discontinuity at about T^*≃ 0.79 suggesting that the wetting transition is a first order phase transition. These results are in agreement with some experiments carried out in fluid binary mixtures. In addition, we estimated the consolute temperature to be T^* _cons≃ 1.25. The calculated phase diagram of the mixture suggest the existence of a tricritical point.

Using binary statistics in Taurus-Auriga to distinguish between brown dwarf formation processes

NASA Astrophysics Data System (ADS)

Marks, M.; Martín, E. L.; Béjar, V. J. S.; Lodieu, N.; Kroupa, P.; Manjavacas, E.; Thies, I.; Rebolo López, R.; Velasco, S.

2017-08-01

Context. One of the key questions of the star formation problem is whether brown dwarfs (BDs) form in the manner of stars directly from the gravitational collapse of a molecular cloud core (star-like) or whether BDs and some very low-mass stars (VLMSs) constitute a separate population that forms alongside stars comparable to the population of planets, for example through circumstellar disk (peripheral) fragmentation. Aims: For young stars in Taurus-Auriga the binary fraction has been shown to be large with little dependence on primary mass above ≈ 0.2 M⊙, while for BDs the binary fraction is < 10%. Here we investigate a case in which BDs in Taurus formed dominantly, but not exclusively, through peripheral fragmentation, which naturally results in small binary fractions. The decline of the binary frequency in the transition region between star-like formation and peripheral formation is modelled. Methods: We employed a dynamical population synthesis model in which stellar binary formation is universal with a large binary fraction close to unity. Peripheral objects form separately in circumstellar disks with a distinctive initial mass function (IMF), their own orbital parameter distributions for binaries, and small binary fractions, according to observations and expectations from smoothed particle hydrodynamics (SPH) and grid-based computations. A small amount of dynamical processing of the stellar component was accounted for as appropriate for the low-density Taurus-Auriga embedded clusters. Results: The binary fraction declines strongly in the transition region between star-like and peripheral formation, exhibiting characteristic features. The location of these features and the steepness of this trend depend on the mass limits for star-like and peripheral formation. Such a trend might be unique to low density regions, such as Taurus, which host binary populations that are largely unprocessed dynamically in which the binary fraction is large for stars down to M-dwarfs and small for BDs. Conclusions: The existence of a strong decline in the binary fraction - primary mass diagram will become verifiable in future surveys on BD and VLMS binarity in the Taurus-Auriga star-forming region. The binary fraction - primary mass diagram is a diagnostic of the (non-)continuity of star formation along the mass scale, the separateness of the stellar and BD populations, and the dominant formation channel for BDs and BD binaries in regions of low stellar density hosting dynamically unprocessed populations.

Frustration across the periodic table: heterolytic cleavage of dihydrogen by metal complexes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bullock, R. Morris; Chambers, Geoffrey M.

2017-07-24

This Perspective examines the field of Frustrated Lewis Pairs (FLPs) in the context of transition metal mediated heterolytic cleavage of H2, with a particular emphasis on molecular complexes bearing an intramolecular Lewis base. FLPs have traditionally been associated with group compounds, yet many transition metal reactions support a broader classification of FLPs to include certain types of transition metal complexes with reactivity resembling main group based FLPs. This article surveys transition metal complexes that heterolytically cleave H2, which vary in the degree that the Lewis pairs within these systems interact. Particular attention is focused on complexes bearing a pendant aminemore » function as the base. Consideration of transition metal compounds in the context of FLPs can inspire new innovations and improvements in transition metal catalysis.« less

Effect of Saturation Pressure Difference on Metal-Silicide Nanopowder Formation in Thermal Plasma Fabrication.

PubMed

Shigeta, Masaya; Watanabe, Takayuki

2016-03-07

A computational investigation using a unique model and a solution algorithm was conducted, changing only the saturation pressure of one material artificially during nanopowder formation in thermal plasma fabrication, to highlight the effects of the saturation pressure difference between a metal and silicon. The model can not only express any profile of particle size-composition distribution for a metal-silicide nanopowder even with widely ranging sizes from sub-nanometers to a few hundred nanometers, but it can also simulate the entire growth process involving binary homogeneous nucleation, binary heterogeneous co-condensation, and coagulation among nanoparticles with different compositions. Greater differences in saturation pressures cause a greater time lag for co-condensation of two material vapors during the collective growth of the metal-silicide nanopowder. The greater time lag for co-condensation results in a wider range of composition of the mature nanopowder.

Orbital Dynamics of Candidate Transitional Millisecond Pulsar 3FGL J1544.6-1125: An unusually face-on system

NASA Astrophysics Data System (ADS)

Britt, Christopher T.; Strader, Jay; Chomiuk, Laura; Halpern, Jules P.; Tremou, Evangelina; Peacock, Mark; Salinas, Ricardo

2018-01-01

We present the orbital solution for the donor star of the candidate transitional millisecond pulsar 3FGL J1544.6-1125, currently observed as an accreting low-mass X-ray binary. The orbital period is 0.2415361(36) days, entirely consistent with the spectral classification of the donor star as a mid to late K dwarf. The semi-amplitude of the radial velocity curve is exceptionally low at K2=39.3+/-1.5 km s-1, implying a remarkably face-on inclination in the range 5-8o, depending on the neutron star and donor masses. After determining the veiling of the secondary, we derive a distance to the binary of 3.8+/-0.7 kpc, yielding a 0.3-10 keV X-ray luminosity of 6.1+/-1.9 x1033 erg s-1, similar to confirmed transitional millisecond pulsars. As face-on binaries rarely occur by chance, we discuss the possibility that Fermi-selected samples of transitional milli-second pulsars in the sub-luminous disk state are affected by beaming. By phasing emission line strength on the spectroscopic ephemeris, we find coherent variations, and argue that some optical light originates from emission from an asymmetric shock originating near the inner disk.

Prediction of A2 to B2 Phase Transition in the High Entropy Alloy Mo-Nb-Ta-W

NASA Astrophysics Data System (ADS)

Huhn, William; Widom, Michael

2014-03-01

In this talk we show that an effective Hamiltonian fit with first principles calculations predicts an order/disorder transition occurs in the high entropy alloy Mo-Nb-Ta-W. Using the Alloy Theoretic Automated Toolset, we find T=0K enthalpies of formation for all binaries containing Mo, Nb, Ta, and W, and in particular we find the stable structures for binaries at equiatomic concentrations are close in energy to the associated B2 structure, suggesting that at intermediate temperatures a B2 phase is stabilized in Mo-Nb-Ta-W. Our ``hybrid Monte Carlo/molecular dynamics'' results for the Mo-Nb-Ta-W system are analyzed to identify certain preferred chemical bonding types. A mean field free energy model incorporating nearest neighbor bonds will be presented, allowing us to predict the mechanism of the order/disorder transition. We find the temperature evolution of the system is driven by strong Mo-Ta bonding. Comparison of the free energy model and our MC/MD results suggest the existence of additional low-temperature phase transitions in the system likely ending with phase segregation into binary phases. We would like to thank DOD-DTRA for funding this research under contract number DTRA-11-1-0064.

Electronic structure of negative charge transfer CaFeO3 across the metal-insulator transition

NASA Astrophysics Data System (ADS)

Rogge, Paul C.; Chandrasena, Ravini U.; Cammarata, Antonio; Green, Robert J.; Shafer, Padraic; Lefler, Benjamin M.; Huon, Amanda; Arab, Arian; Arenholz, Elke; Lee, Ho Nyung; Lee, Tien-Lin; Nemšák, Slavomír; Rondinelli, James M.; Gray, Alexander X.; May, Steven J.

2018-01-01

We investigated the metal-insulator transition for epitaxial thin films of the perovskite CaFeO3, a material with a significant oxygen ligand hole contribution to its electronic structure. We find that biaxial tensile and compressive strain suppress the metal-insulator transition temperature. By combining hard x-ray photoelectron spectroscopy, soft x-ray absorption spectroscopy, and density functional calculations, we resolve the element-specific changes to the electronic structure across the metal-insulator transition. We demonstrate that the Fe sites undergo no observable spectroscopic change between the metallic and insulating states, whereas the O electronic configuration undergoes significant changes. This strongly supports the bond-disproportionation model of the metal-insulator transition for CaFeO3 and highlights the importance of ligand holes in its electronic structure. By sensitively measuring the ligand hole density, however, we find that it increases by ˜5 -10 % in the insulating state, which we ascribe to a further localization of electron charge on the Fe sites. These results provide detailed insight into the metal-insulator transition of negative charge transfer compounds and should prove instructive for understanding metal-insulator transitions in other late transition metal compounds such as the nickelates.

Ultrasensitive interplay between ferromagnetism and superconductivity in NbGd composite thin films

PubMed Central

Bawa, Ambika; Gupta, Anurag; Singh, Sandeep; Awana, V.P.S.; Sahoo, Sangeeta

2016-01-01

A model binary hybrid system composed of a randomly distributed rare-earth ferromagnetic (Gd) part embedded in an s-wave superconducting (Nb) matrix is being manufactured to study the interplay between competing superconducting and ferromagnetic order parameters. The normal metallic to superconducting phase transition appears to be very sensitive to the magnetic counterpart and the modulation of the superconducing properties follow closely to the Abrikosov-Gor’kov (AG) theory of magnetic impurity induced pair breaking mechanism. A critical concentration of Gd is obtained for the studied NbGd based composite films (CFs) above which superconductivity disappears. Besides, a magnetic ordering resembling the paramagnetic Meissner effect (PME) appears in DC magnetization measurements at temperatures close to the superconducting transition temperature. The positive magnetization related to the PME emerges upon doping Nb with Gd. The temperature dependent resistance measurements evolve in a similar fashion with the concentration of Gd as that with an external magnetic field and in both the cases, the transition curves accompany several intermediate features indicating the traces of magnetism originated either from Gd or from the external field. Finally, the signatures of magnetism appear evidently in the magnetization and transport measurements for the CFs with very low (<1 at.%) doping of Gd. PMID:26725684

Environmentally relevant metal and transition metal ions enhance Fc epsilon RI-mediated mast cell activation.

PubMed Central

Walczak-Drzewiecka, Aurelia; Wyczólkowska, Janina; Dastych, Jaroslaw

2003-01-01

Upon contact with allergen, sensitized mast cells release highly active proinflammatory mediators. Allergen-mediated mast cell activation is an important mechanism in the pathogenesis of atopic asthma. Asthmatic patients are especially susceptible to air pollution. Epidemiologic studies found a positive correlation between severity of symptoms among asthmatic patients and the level of particulate matter (PM) in the air. Among the constituents of PM are metals and transition metals, which could mediate some of its adverse effects on human health. We sought to determine the effect of metal and transition metal ions on allergen-mediated mast cell activation. We observed that several metal and transition metal ions activated mast cells and enhanced allergen-mediated mast cell activation. Thus, Al(3+), Cd(2+), and Sr(2+) induced release of granule-associated N-acetyl-ss-d-hexosaminidase, and Al(3+) and Ni(2+) enhanced antigen-mediated release. Metal and transition metal ions also induced significant secretion of interleukin (IL)-4 and increased antigen-mediated IL-4 secretion in mast cells. These effects of metal and transition metal ions on mast cells were observed at concentrations that do not result in direct cytotoxicity and might be relevant for environmental exposure. Thus, metals and transition metals could increase the level of allergen-mediated mast cell activation, which might be one of the mechanisms mediating exacerbation of allergen-driven asthma symptoms by air pollution. PMID:12727598

Frustration across the periodic table: heterolytic cleavage of dihydrogen by metal complexes.

PubMed

Bullock, R Morris; Chambers, Geoffrey M

2017-08-28

This perspective examines frustrated Lewis pairs (FLPs) in the context of heterolytic cleavage of H 2 by transition metal complexes, with an emphasis on molecular complexes bearing an intramolecular Lewis base. FLPs have traditionally been associated with main group compounds, yet many reactions of transition metal complexes support a broader classification of FLPs that includes certain types of transition metal complexes with reactivity resembling main group-based FLPs. This article surveys transition metal complexes that heterolytically cleave H 2 , which vary in the degree that the Lewis pairs within these systems interact. Many of the examples include complexes bearing a pendant amine functioning as the base with the metal functioning as the hydride acceptor. Consideration of transition metal compounds in the context of FLPs can inspire new innovations and improvements in transition metal catalysis.This article is part of the themed issue 'Frustrated Lewis pair chemistry'. © 2017 The Author(s).

Evaluating transition-metal catalysis in gas generation from the Permian Kupferschiefer by hydrous pyrolysis

USGS Publications Warehouse

Lewan, M.D.; Kotarba, M.J.; Wieclaw, D.; Piestrzynski, A.

2008-01-01

Transition metals in source rocks have been advocated as catalysts in determining extent, composition, and timing of natural gas generation (Mango, F. D. (1996) Transition metal catalysis in the generation of natural gas. Org. Geochem.24, 977–984). This controversial hypothesis may have important implications concerning gas generation in unconventional shale-gas accumulations. Although experiments have been conducted to test the metal-catalysis hypothesis, their approach and results remain equivocal in evaluating natural assemblages of transition metals and organic matter in shale. The Permian Kupferschiefer of Poland offers an excellent opportunity to test the hypothesis with immature to marginally mature shale rich in both transition metals and organic matter. Twelve subsurface samples containing similar Type-II kerogen with different amounts and types of transition metals were subjected to hydrous pyrolysis at 330° and 355 °C for 72 h. The gases generated in these experiments were quantitatively collected and analyzed for molecular composition and stable isotopes. Expelled immiscible oils, reacted waters, and spent rock were also quantitatively collected. The results show that transition metals have no effect on methane yields or enrichment. δ13C values of generated methane, ethane, propane and butanes show no systematic changes with increasing transition metals. The potential for transition metals to enhance gas generation and oil cracking was examined by looking at the ratio of the generated hydrocarbon gases to generated expelled immiscible oil (i.e., GOR), which showed no systematic change with increasing transition metals. Assuming maximum yields at 355 °C for 72 h and first-order reaction rates, pseudo-rate constants for methane generation at 330 °C were calculated. These rate constants showed no increase with increasing transition metals. The lack of a significant catalytic effect of transition metals on the extent, composition, and timing of natural gas generation in these experiments is attributed to the metals not occurring in the proper form or the poisoning of potential catalytic microcosms by polar-rich bitumen, which impregnates the rock matrix during the early stages of petroleum formation.

Survival of planets around shrinking stellar binaries

PubMed Central

Muñoz, Diego J.; Lai, Dong

2015-01-01

The discovery of transiting circumbinary planets by the Kepler mission suggests that planets can form efficiently around binary stars. None of the stellar binaries currently known to host planets has a period shorter than 7 d, despite the large number of eclipsing binaries found in the Kepler target list with periods shorter than a few days. These compact binaries are believed to have evolved from wider orbits into their current configurations via the so-called Lidov–Kozai migration mechanism, in which gravitational perturbations from a distant tertiary companion induce large-amplitude eccentricity oscillations in the binary, followed by orbital decay and circularization due to tidal dissipation in the stars. Here we explore the orbital evolution of planets around binaries undergoing orbital decay by this mechanism. We show that planets may survive and become misaligned from their host binary, or may develop erratic behavior in eccentricity, resulting in their consumption by the stars or ejection from the system as the binary decays. Our results suggest that circumbinary planets around compact binaries could still exist, and we offer predictions as to what their orbital configurations should be like. PMID:26159412

Survival of planets around shrinking stellar binaries.

PubMed

Muñoz, Diego J; Lai, Dong

2015-07-28

The discovery of transiting circumbinary planets by the Kepler mission suggests that planets can form efficiently around binary stars. None of the stellar binaries currently known to host planets has a period shorter than 7 d, despite the large number of eclipsing binaries found in the Kepler target list with periods shorter than a few days. These compact binaries are believed to have evolved from wider orbits into their current configurations via the so-called Lidov-Kozai migration mechanism, in which gravitational perturbations from a distant tertiary companion induce large-amplitude eccentricity oscillations in the binary, followed by orbital decay and circularization due to tidal dissipation in the stars. Here we explore the orbital evolution of planets around binaries undergoing orbital decay by this mechanism. We show that planets may survive and become misaligned from their host binary, or may develop erratic behavior in eccentricity, resulting in their consumption by the stars or ejection from the system as the binary decays. Our results suggest that circumbinary planets around compact binaries could still exist, and we offer predictions as to what their orbital configurations should be like.

Binary-Signal Recovery

NASA Technical Reports Server (NTRS)

Griebeler, Elmer L.

2011-01-01

Binary communication through long cables, opto-isolators, isolating transformers, or repeaters can become distorted in characteristic ways. The usual solution is to slow the communication rate, change to a different method, or improve the communication media. It would help if the characteristic distortions could be accommodated at the receiving end to ease the communication problem. The distortions come from loss of the high-frequency content, which adds slopes to the transitions from ones to zeroes and zeroes to ones. This weakens the definition of the ones and zeroes in the time domain. The other major distortion is the reduction of low frequency, which causes the voltage that defines the ones or zeroes to drift out of recognizable range. This development describes a method for recovering a binary data stream from a signal that has been subjected to a loss of both higher-frequency content and low-frequency content that is essential to define the difference between ones and zeroes. The method makes use of the frequency structure of the waveform created by the data stream, and then enhances the characteristics related to the data to reconstruct the binary switching pattern. A major issue is simplicity. The approach taken here is to take the first derivative of the signal and then feed it to a hysteresis switch. This is equivalent in practice to using a non-resonant band pass filter feeding a Schmitt trigger. Obviously, the derivative signal needs to be offset to halfway between the thresholds of the hysteresis switch, and amplified so that the derivatives reliably exceed the thresholds. A transition from a zero to a one is the most substantial, fastest plus movement of voltage, and therefore will create the largest plus first derivative pulse. Since the quiet state of the derivative is sitting between the hysteresis thresholds, the plus pulse exceeds the plus threshold, switching the hysteresis switch plus, which re-establishes the data zero to one transition, except now at the logic levels of the receiving circuit. Similarly, a transition from a one to a zero will be the most substantial and fastest minus movement of voltage and therefore will create the largest minus first derivative pulse. The minus pulse exceeds the minus threshold, switching the hysteresis switch minus, which re-establishes the data one to zero transition. This innovation has a large increase in tolerance for the degradation of the binary pattern of ones and zeroes, and can reject the introduction of noise in the form of low frequencies that can cause the voltage pattern to drift up or down, and also higher frequencies that are beyond the recognizable content in the binary transitions.

A liquid-liquid transition can exist in monatomic transition metals with a positive melting slope

PubMed Central

Lee, Byeongchan; Lee, Geun Woo

2016-01-01

Liquid-liquid transitions under high pressure are found in many elemental materials, but the transitions are known to be associated with either sp-valent materials or f-valent rare-earth elements, in which the maximum or a negative slope in the melting line is readily suggestive of the transition. Here we find a liquid-liquid transition with a positive melting slope in transition metal Ti from structural, electronic, and thermodynamic studies using ab-initio molecular dynamics calculations, showing diffusion anomaly, but no density anomaly. The origin of the transition in liquid Ti is a pressure-induced increase of local structures containing very short bonds with directionality in electronic configurations. This behavior appears to be characteristic of the early transition metals. In contrast, the late transition metal liquid Ni does not show the L-L transition with pressure. This result suggests that the possibility of the L-L transition decreases from early to late transition metals as electronic structures of late transition metals barely have a Jahn-Teller effect and bond directionality. Our results generalize that a phase transition in disordered materials is found with any valence band regardless of the sign of the melting slope, but related to the symmetry of electronic structures of constituent elements. PMID:27762334

Water-based binary polyol process for the controllable synthesis of silver nanoparticles inhibiting human and foodborne pathogenic bacteria

USDA-ARS?s Scientific Manuscript database

The polyol process is a widely used strategy for producing nanoparticles from various reducible metallic precursors; however it requires a bulk polyol liquid reaction with additional protective agents at high temperatures. Here, we report a water-based binary polyol process using low concentrations ...

Preparation and magnetic properties of phthalocyanine-based carbon materials containing transition metals

NASA Astrophysics Data System (ADS)

Honda, Z.; Sato, S.; Hagiwara, M.; Kida, T.; Sakai, M.; Fukuda, T.; Kamata, N.

2016-07-01

A simple method for the preparation of bulk quantities of magnetic carbon materials, which contain uniformly dispersed transition metals (M = Fe, Co, Ni, and Cu) as the magnetic components, is presented. By using highly chlorinated metal phthalocyanine as the building block and potassium as the coupling reagent, phthalocyanine-based carbon materials (PBCMs) containing transition metals were obtained. Our experiments demonstrate the structure of these PBCMs consists of transition metals embedded in graphitic carbon that includes a square planar MN4 magnetic core and the Fe and Co-PBCM possess spontaneous magnetization at room temperature. In addition, carbon-coated transition metal particles were obtained by the Wurtz-type reaction with excess amount of potassium coupling agent. The large transition metal surface area and magnetization of these M-PBCMs are useful for spintronic and catalytic applications.

Relaxation dynamics in a binary hard-ellipse liquid.

PubMed

Xu, Wen-Sheng; Sun, Zhao-Yan; An, Li-Jia

2015-01-21

Structural relaxation in binary hard spherical particles has been shown recently to exhibit a wealth of remarkable features when size disparity or mixture composition is varied. In this paper, we test whether or not similar dynamical phenomena occur in glassy systems composed of binary hard ellipses. We demonstrate via event-driven molecular dynamics simulation that a binary hard-ellipse mixture with an aspect ratio of two and moderate size disparity displays characteristic glassy dynamics upon increasing density in both the translational and the rotational degrees of freedom. The rotational glass transition density is found to be close to the translational one for the binary mixtures investigated. More importantly, we assess the influence of size disparity and mixture composition on the relaxation dynamics. We find that an increase of size disparity leads, both translationally and rotationally, to a speed up of the long-time dynamics in the supercooled regime so that both the translational and the rotational glass transition shift to higher densities. By increasing the number concentration of the small particles, the time evolution of both translational and rotational relaxation dynamics at high densities displays two qualitatively different scenarios, i.e., both the initial and the final part of the structural relaxation slow down for small size disparity, while the short-time dynamics still slows down but the final decay speeds up in the binary mixture with large size disparity. These findings are reminiscent of those observed in binary hard spherical particles. Therefore, our results suggest a universal mechanism for the influence of size disparity and mixture composition on the structural relaxation in both isotropic and anisotropic particle systems.

Nano-composite materials

DOEpatents

Lee, Se-Hee; Tracy, C. Edwin; Pitts, J. Roland

2010-05-25

Nano-composite materials are disclosed. An exemplary method of producing a nano-composite material may comprise co-sputtering a transition metal and a refractory metal in a reactive atmosphere. The method may also comprise co-depositing a transition metal and a refractory metal composite structure on a substrate. The method may further comprise thermally annealing the deposited transition metal and refractory metal composite structure in a reactive atmosphere.

The structures of the crystalline phase and columnar mesophase of rhodium (II) heptanoate and of its binary mixture with copper (II) heptanoate probed by EXAFS

NASA Astrophysics Data System (ADS)

Inb-Elhaj, M.; Guillon, D.; Skoulios, A.; Maldivi, P.; Giroud-Godquin, A. M.; Marchon, J.-C.

1992-12-01

EXAFS was used to investigate the local structure of the polar spines of rhodium (II) soaps in the columnar liquid crystalline state. It was also used to ascertain the degree of blending of the cores in binary mixtures of rhodium (II) and copper (II) soaps. For the pure rhodium soaps, the columns are shown to result from the stacking of binuclear metal-metal bonded dirhodium tetracarboxylate units bonded to one another by apical ligation of the metal atom of each complex with one of the oxygen atoms of the adjacent molecule. Mixtures of rhodium (II) and copper (II) soaps give a hexagonal columnar mesophase in which pure rhodium and pure copper columns are randomly distributed.

Simulating functional magnetic materials on supercomputers.

PubMed

Gruner, Markus Ernst; Entel, Peter

2009-07-22

The recent passing of the petaflop per second landmark by the Roadrunner project at the Los Alamos National Laboratory marks a preliminary peak of an impressive world-wide development in the high-performance scientific computing sector. Also, purely academic state-of-the-art supercomputers such as the IBM Blue Gene/P at Forschungszentrum Jülich allow us nowadays to investigate large systems of the order of 10(3) spin polarized transition metal atoms by means of density functional theory. Three applications will be presented where large-scale ab initio calculations contribute to the understanding of key properties emerging from a close interrelation between structure and magnetism. The first two examples discuss the size dependent evolution of equilibrium structural motifs in elementary iron and binary Fe-Pt and Co-Pt transition metal nanoparticles, which are currently discussed as promising candidates for ultra-high-density magnetic data storage media. However, the preference for multiply twinned morphologies at smaller cluster sizes counteracts the formation of a single-crystalline L1(0) phase, which alone provides the required hard magnetic properties. The third application is concerned with the magnetic shape memory effect in the Ni-Mn-Ga Heusler alloy, which is a technologically relevant candidate for magnetomechanical actuators and sensors. In this material strains of up to 10% can be induced by external magnetic fields due to the field induced shifting of martensitic twin boundaries, requiring an extremely high mobility of the martensitic twin boundaries, but also the selection of the appropriate martensitic structure from the rich phase diagram.

Concentration addition and independent action model: Which is better in predicting the toxicity for metal mixtures on zebrafish larvae.

PubMed

Gao, Yongfei; Feng, Jianfeng; Kang, Lili; Xu, Xin; Zhu, Lin

2018-01-01

The joint toxicity of chemical mixtures has emerged as a popular topic, particularly on the additive and potential synergistic actions of environmental mixtures. We investigated the 24h toxicity of Cu-Zn, Cu-Cd, and Cu-Pb and 96h toxicity of Cd-Pb binary mixtures on the survival of zebrafish larvae. Joint toxicity was predicted and compared using the concentration addition (CA) and independent action (IA) models with different assumptions in the toxic action mode in toxicodynamic processes through single and binary metal mixture tests. Results showed that the CA and IA models presented varying predictive abilities for different metal combinations. For the Cu-Cd and Cd-Pb mixtures, the CA model simulated the observed survival rates better than the IA model. By contrast, the IA model simulated the observed survival rates better than the CA model for the Cu-Zn and Cu-Pb mixtures. These findings revealed that the toxic action mode may depend on the combinations and concentrations of tested metal mixtures. Statistical analysis of the antagonistic or synergistic interactions indicated that synergistic interactions were observed for the Cu-Cd and Cu-Pb mixtures, non-interactions were observed for the Cd-Pb mixtures, and slight antagonistic interactions for the Cu-Zn mixtures. These results illustrated that the CA and IA models are consistent in specifying the interaction patterns of binary metal mixtures. Copyright © 2017 Elsevier B.V. All rights reserved.

Fluorescent Binary Ensemble Based on Pyrene Derivative and Sodium Dodecyl Sulfate Assemblies as a Chemical Tongue for Discriminating Metal Ions and Brand Water.

PubMed

Zhang, Lijun; Huang, Xinyan; Cao, Yuan; Xin, Yunhong; Ding, Liping

2017-12-22

Enormous effort has been put to the detection and recognition of various heavy metal ions due to their involvement in serious environmental pollution and many major diseases. The present work has developed a single fluorescent sensor ensemble that can distinguish and identify a variety of heavy metal ions. A pyrene-based fluorophore (PB) containing a metal ion receptor group was specially designed and synthesized. Anionic surfactant sodium dodecyl sulfate (SDS) assemblies can effectively adjust its fluorescence behavior. The selected binary ensemble based on PB/SDS assemblies can exhibit multiple emission bands and provide wavelength-based cross-reactive responses to a series of metal ions to realize pattern recognition ability. The combination of surfactant assembly modulation and the receptor for metal ions empowers the present sensor ensemble with strong discrimination power, which could well differentiate 13 metal ions, including Cu 2+ , Co 2+ , Ni 2+ , Cr 3+ , Hg 2+ , Fe 3+ , Zn 2+ , Cd 2+ , Al 3+ , Pb 2+ , Ca 2+ , Mg 2+ , and Ba 2+ . Moreover, this single sensing ensemble could be further applied for identifying different brands of drinking water.

Thermodynamics of Liquid Alkali Metals and Their Binary Alloys

NASA Astrophysics Data System (ADS)

Thakor, P. B.; Patel, Minal H.; Gajjar, P. N.; Jani, A. R.

2009-07-01

The theoretical investigation of thermodynamic properties like internal energy, entropy, Helmholtz free energy, heat of mixing (ΔE) and entropy of mixing (ΔS) of liquid alkali metals and their binary alloys are reported in the present paper. The effect of concentration on the thermodynamic properties of Ac1Bc2 alloy of the alkali-alkali elements is investigated and reported for the first time using our well established local pseudopotential. To investigate influence of exchange and correlation effects, we have used five different local field correction functions viz; Hartree(H), Taylor(T), Ichimaru and Utsumi(IU), Farid et al. (F) and Sarkar et al. (S). The increase of concentration C2, increases the internal energy and Helmholtz free energy of liquid alloy Ac1Bc2. The behavior of present computation is not showing any abnormality in the outcome and hence confirms the applicability of our model potential in explaining the thermodynamics of liquid binary alloys.

Using color photometry to separate transiting exoplanets from false positives

NASA Astrophysics Data System (ADS)

Tingley, B.

2004-10-01

The radial velocity technique is currently used to classify transiting objects. While capable of identifying grazing binary eclipses, this technique cannot reliably identify blends, a chance overlap of a faint background eclipsing binary with an ordinary foreground star. Blends generally have no observable radial velocity shifts, as the foreground star is brighter by several magnitudes and therefore dominates the spectrum, but their combined light can produce events that closely resemble those produced by transiting exoplanets. The radial velocity technique takes advantage of the mass difference between planets and stars to classify exoplanet candidates. However, the existence of blends renders this difference an unreliable discriminator. Another difference must therefore be utilized for this classification - the physical size of the transiting body. Due to the dependence of limb darkening on color, planets and stars produce subtly different transit shapes. These differences can be relatively weak, little more than 1/10th the transit depth. However, the presence of even small color differences between the individual components of the blend increases this difference. This paper shows that this color difference is capable of discriminating between exoplanets and blends reliably, theoretically capable of classifying even terrestrial-class transits, unlike the radial velocity technique.

On the structure of contact binaries. I - The contact discontinuity

NASA Technical Reports Server (NTRS)

Shu, F. H.; Lubow, S. H.; Anderson, L.

1976-01-01

The problem of the interior structure of contact binaries is reviewed, and a simple resolution of the difficulties which plague the theory is suggested. It is proposed that contact binaries contain a contact discontinuity between the lower surface of the common envelope and the Roche lobe of the cooler star. This discontinuity is maintained against thermal diffusion by fluid flow, and the transition layer is thin to the extent that the dynamical time scale is short in comparison with the thermal time scale. The idealization that the transition layer has infinitesimal thickness allows a simple formulation of the structure equations which are closed by appropriate jump conditions across the discontinuity. The further imposition of the standard boundary conditions suffices to define a unique model for the system once the chemical composition, the masses of the two stars, and the orbital separation are specified.

Evidence for Unresolved Exoplanet-hosting Binaries in Gaia DR2

NASA Astrophysics Data System (ADS)

Evans, Daniel F.

2018-05-01

This note describes an effort to detect additional stellar sources in known transiting exoplanet (TEP) systems, which are unresolved or barely resolved in the Gaia Data Release 2 (DR2) catalogue. The presence of multiple unresolved stars in photometric and spectroscopic observations of a transiting planetary system biases measurements of the planet's radius, mass, and atmospheric conditions. In addition to the effect on individual planetary systems, the presence of unresolved stars across the sample of known exoplanets biases our overall understanding of planetary systems, due to the systematic underestimation of both masses and radii. This work uses the Astrometric Goodness of Fit in the Along-Scan direction (GOF_AL) and the Astrometric Excess Noise as indicators of poorly-resolved binaries. Many known close binaries in the exoplanet host star sample have highly significant GOF_AL and Astrometric Excess Noise values, such as WASP-20AB with Astrometric Excess Noise significant at $4720\\sigma$ and GOF_AL=124.

Evolution of Large-Scale Magnetic Fields and State Transitions in Black Hole X-Ray Binaries

NASA Astrophysics Data System (ADS)

Wang, Ding-Xiong; Huang, Chang-Yin; Wang, Jiu-Zhou

2010-04-01

The state transitions of black hole (BH) X-ray binaries are discussed based on the evolution of large-scale magnetic fields, in which the combination of three energy mechanisms are involved: (1) the Blandford-Znajek (BZ) process related to the open field lines connecting a rotating BH with remote astrophysical loads, (2) the magnetic coupling (MC) process related to the closed field lines connecting the BH with its surrounding accretion disk, and (3) the Blandford-Payne (BP) process related to the open field lines connecting the disk with remote astrophysical loads. It turns out that each spectral state of the BH binaries corresponds to each configuration of magnetic field in BH magnetosphere, and the main characteristics of low/hard (LH) state, hard intermediate (HIM) state and steep power law (SPL) state are roughly fitted based on the evolution of large-scale magnetic fields associated with disk accretion.

A possible third component in the eclipsing binary system HS 2231+2441

NASA Astrophysics Data System (ADS)

Vidmachenko, A. P.; Romanyuk, Ya. O.; Shliahetskaya, Ya. O.

2016-05-01

We used a differential photometry method in which we compared the flow of program star and standard one. Observations of the 21 nights in the period from July 26 to December 2, 2015 are used for processing. The accuracy of determining for each measurement is in the range 0,003...0,009 m for different nights. On the basis of obtained data were created corresponding light curves. Next, we calculate the time difference between the centers of transits. Its time dependence showed the presence of a possible periodic change in the deflection of the middle transit time from the calculated average value. This may indicate the presence of a third object in the eclipsing binary system. It has been found that the periodic variation of the orbital period can be explained by the gravitational influence of a third companion on the central binary system with an orbital period of about 97±10 d.

Positive electrode for a lithium battery

DOEpatents

Park, Sang-Ho; Amine, Khalil

2015-04-07

A method for producing a lithium alkali transition metal oxide for use as a positive electrode material for lithium secondary batteries by a precipitation method. The positive electrode material is a lithium alkali transition metal composite oxide and is prepared by mixing a solid state mixed with alkali and transition metal carbonate and a lithium source. The mixture is thermally treated to obtain a small amount of alkali metal residual in the lithium transition metal composite oxide cathode material.

A Physical Parameterization of the Evolution of X-ray Binary Emission

NASA Astrophysics Data System (ADS)

Gilbertson, Woodrow; Lehmer, Bret; Eufrasio, Rafael

2018-01-01

The Chandra Deep Field-South (CDF-S) and North (CDF-N) surveys, 7 Ms and 2 Ms respectively, contain measurements spanning a large redshift range of z = 0 to 7. These data-rich fields provide a unique window into the cosmic history of X-ray emission from normal galaxies (i.e., not dominated by AGN). Scaling relations between normal-galaxy X-ray luminosity and quantities, such as star formation rate (SFR) and stellar mass (M*), have been used to constrain the redshift evolution of the formation rates of low-mass X-ray binaries (LMXB) and high-mass X-ray binaries (HMXB). However, these measurements do not directly reveal the driving forces behind the redshift evolution of X-ray binaries (XRBs). We hypothesize that changes in the mean stellar age and metallicity of the Universe drive the evolution of LMXB and HMXB emission, respectively. We use star-formation histories, derived through fitting broad-band UV-to-far-IR spectra, to estimate the masses of stellar populations in various age bins for each galaxy. We then divide our galaxy samples into bins of metallicity, and use our star-formation history information and measured X-ray luminosities to determine for each metallicity bin a best model LX/M*(tage). We show that this physical model provides a more useful parameterization of the evolution of X-ray binary emission, as it can be extrapolated out to high redshifts with more sensible predictions. This meaningful relation can be used to better estimate the emission of XRBs in the early Universe, where XRBs are predicted to play an important role in heating the intergalactic medium.

The WFCAM Transit Survey: A Search for Rocky Planets Around Cool Stars

NASA Astrophysics Data System (ADS)

Birkby, J.; Hodgkin, S.; Pinfield, D.; WTS Consortium

2011-12-01

We report on the WFCAM Transit Survey which is a near-infrared photometric monitoring campaign designed primarily to test the predictions of planet formation theory. We monitor a statisically significant sample of ˜6,000 M-dwarfs (M<0.6M⊙) across 6 sq. deg of the sky, by taking advantage of the highly-efficient queue-scheduled operational mode of the 3.8m United Kingdom Infrared Telescope. Our light curves have RMS < 1% between 13 < J < 16 magnitudes and preliminary simulations indicate the survey is sensitive to at least Jupiter-like transits of M-dwarfs. The survey is approximately 25% complete and within this dataset we find i) no planet-like transit events, despite thorough and extensive follow-up this summer and ii) 32 new M-dwarf eclipsing binaries. We do not speculate on the planet fraction of M-dwarfs at this incomplete stage of our survey, but once we achieve 1,000 epochs of observation on our entire M-dwarf sample, we will have a significant observational constraint to place on occurrence of planets around M-dwarfs. We report masses and radii for three of our newly discovered eclipsing binary, with errors of 3-7%, which all show inflated radii when compared to stellar evolution models (e.g. Baraffe et al. (1998)). Our results support the growing body of observations with inflated M-dwarf radii, which may be caused by increased magnetic activity inhibiting the convection efficiency or increased star spot coverage (e.g. Chabrier et al. (2007); Jackson et al. (2009)). Finally, we present preliminary mass and radius estimates of a fourth new eclipsing binary, which is one of the lowest mass binary systems ever discovered and will provide a calibrating point in the desert of observations between 0.1-0.2M⊙.

Half-Metallic Ferromagnetism and Stability of Transition Metal Pnictides and Chalcogenides

NASA Astrophysics Data System (ADS)

Liu, Bang-Gui

It is highly desirable to explore robust half-metallic ferromagnetic materials compatible with important semiconductors for spintronic applications. A state-of-the-art full potential augmented plane wave method within the densityfunctional theory is reliable enough for this purpose. In this chapter we review theoretical research on half-metallic ferromagnetism and structural stability of transition metal pnictides and chalcogenides. We show that some zincblende transition metal pnictides are half-metallic and the half-metallic gap can be fairly wide, which is consistent with experiment. Systematic calculations reveal that zincblende phases of CrTe, CrSe, and VTe are excellent half-metallic ferromagnets. These three materials have wide half-metallic gaps, are low in total energy with respect to the corresponding ground-state phases, and, importantly, are structurally stable. Halfmetallic ferromagnetism is also found in wurtzite transition metal pnictides and chalcogenides and in transition-metal doped semiconductors as well as deformed structures. Some of these half-metallic materials could be grown epitaxially in the form of ultrathin .lms or layers suitable for real spintronic applications.

Transition Metals and Virulence in Bacteria

PubMed Central

Palmer, Lauren D.; Skaar, Eric P.

2016-01-01

Transition metals are required trace elements for all forms of life. Due to their unique inorganic and redox properties, transition metals serve as cofactors for enzymes and other proteins. In bacterial pathogenesis, the vertebrate host represents a rich source of nutrient metals, and bacteria have evolved diverse metal acquisition strategies. Host metal homeostasis changes dramatically in response to bacterial infections, including production of metal sequestering proteins and the bombardment of bacteria with toxic levels of metals. Presumably, in response, bacteria have evolved systems to subvert metal sequestration and toxicity. The coevolution of hosts and their bacterial pathogens in the battle for metals has uncovered emerging paradigms in social microbiology, rapid evolution, host specificity, and metal homeostasis across domains. This review focuses on recent advances and open questions in our understanding of the complex role of transition metals at the host-pathogen interface. PMID:27617971

Transition Metals and Virulence in Bacteria.

PubMed

Palmer, Lauren D; Skaar, Eric P

2016-11-23

Transition metals are required trace elements for all forms of life. Due to their unique inorganic and redox properties, transition metals serve as cofactors for enzymes and other proteins. In bacterial pathogenesis, the vertebrate host represents a rich source of nutrient metals, and bacteria have evolved diverse metal acquisition strategies. Host metal homeostasis changes dramatically in response to bacterial infections, including production of metal sequestering proteins and the bombardment of bacteria with toxic levels of metals. In response, bacteria have evolved systems to subvert metal sequestration and toxicity. The coevolution of hosts and their bacterial pathogens in the battle for metals has uncovered emerging paradigms in social microbiology, rapid evolution, host specificity, and metal homeostasis across domains. This review focuses on recent advances and open questions in our understanding of the complex role of transition metals at the host-pathogen interface.

Porous nanoarchitectures of spinel-type transition metal oxides for electrochemical energy storage systems.

PubMed

Park, Min-Sik; Kim, Jeonghun; Kim, Ki Jae; Lee, Jong-Won; Kim, Jung Ho; Yamauchi, Yusuke

2015-12-14

Transition metal oxides possessing two kinds of metals (denoted as AxB3-xO4, which is generally defined as a spinel structure; A, B = Co, Ni, Zn, Mn, Fe, etc.), with stoichiometric or even non-stoichiometric compositions, have recently attracted great interest in electrochemical energy storage systems (ESSs). The spinel-type transition metal oxides exhibit outstanding electrochemical activity and stability, and thus, they can play a key role in realising cost-effective and environmentally friendly ESSs. Moreover, porous nanoarchitectures can offer a large number of electrochemically active sites and, at the same time, facilitate transport of charge carriers (electrons and ions) during energy storage reactions. In the design of spinel-type transition metal oxides for energy storage applications, therefore, nanostructural engineering is one of the most essential approaches to achieving high electrochemical performance in ESSs. In this perspective, we introduce spinel-type transition metal oxides with various transition metals and present recent research advances in material design of spinel-type transition metal oxides with tunable architectures (shape, porosity, and size) and compositions on the micro- and nano-scale. Furthermore, their technological applications as electrode materials for next-generation ESSs, including metal-air batteries, lithium-ion batteries, and supercapacitors, are discussed.

Observational properties of massive black hole binary progenitors

NASA Astrophysics Data System (ADS)

Hainich, R.; Oskinova, L. M.; Shenar, T.; Marchant, P.; Eldridge, J. J.; Sander, A. A. C.; Hamann, W.-R.; Langer, N.; Todt, H.

2018-01-01

Context. The first directly detected gravitational waves (GW 150914) were emitted by two coalescing black holes (BHs) with masses of ≈ 36 M⊙ and ≈ 29 M⊙. Several scenarios have been proposed to put this detection into an astrophysical context. The evolution of an isolated massive binary system is among commonly considered models. Aims: Various groups have performed detailed binary-evolution calculations that lead to BH merger events. However, the question remains open as to whether binary systems with the predicted properties really exist. The aim of this paper is to help observers to close this gap by providing spectral characteristics of massive binary BH progenitors during a phase where at least one of the companions is still non-degenerate. Methods: Stellar evolution models predict fundamental stellar parameters. Using these as input for our stellar atmosphere code (Potsdam Wolf-Rayet), we compute a set of models for selected evolutionary stages of massive merging BH progenitors at different metallicities. Results: The synthetic spectra obtained from our atmosphere calculations reveal that progenitors of massive BH merger events start their lives as O2-3V stars that evolve to early-type blue supergiants before they undergo core-collapse during the Wolf-Rayet phase. When the primary has collapsed, the remaining system will appear as a wind-fed high-mass X-ray binary. Based on our atmosphere models, we provide feedback parameters, broad band magnitudes, and spectral templates that should help to identify such binaries in the future. Conclusions: While the predicted parameter space for massive BH binary progenitors is partly realized in nature, none of the known massive binaries match our synthetic spectra of massive BH binary progenitors exactly. Comparisons of empirically determined mass-loss rates with those assumed by evolution calculations reveal significant differences. The consideration of the empirical mass-loss rates in evolution calculations will possibly entail a shift of the maximum in the predicted binary-BH merger rate to higher metallicities, that is, more candidates should be expected in our cosmic neighborhood than previously assumed.

Photometric Determination of Binary Mass Ratios in the WIYN Open Cluster Study (WOCS) Using Theoretical Isochrones

NASA Astrophysics Data System (ADS)

Cai, K.; Durisen, R. H.; Deliyannis, C. P.

2003-05-01

Binary stars in Galactic open clusters are difficult to detect without spectroscopic observations. However, from theoretical isochrones, we find that binary stars with different primary masses M1 and mass ratios q = M2/M1 have measurably different behaviors in various UBVRI color-magnitude and color-color diagrams. By using appropriate Yonsei-Yale Isochrones, in the best cases we can evaluate M1 and q to within about +/- 0.1Msun and +/- 0.1, respectively, for individual proper-motion members that have multiple WOCS UBVRI measurements of high quality. The cluster metallicity, reddening, and distance modulus and best-fit isochrones are determined self-consistently from the same WOCS data. This technique allows us to detect binaries and determine their mass ratios in open clusters without time-consuming spectrocopy, which is only sensitive to a limited range of binary separations. We will report results from this photometric technique for WOCS cluster M35 for M1 in the range of 1 to 4 Msun. For the lower main sequence, we used the empirical colors to reduce the error introduced by the problematic color transformations of Y2 Isochrones. In addition to other sources of uncertainty, we have considered effects of rapid rotation and pulsational instability. We plan to apply our method to other WOCS clusters in the future and explore differences in binary fractions and/or mass ratio distributions as a function of cluster age, metallicity, and other parameters.

Conductivity Dynamics of the Metal to Insulator Transition in EuNiO3/LANiO3 Superlattices

DTIC Science & Technology

2016-02-07

lead to emergent phenomena with the insulator -to- insulator transition (IMT) being one of the most enigmatic from fundamental and applied perspectives...2015 Approved for Public Release; Distribution Unlimited Final Report: Conductivity Dynamics of the Metal to Insulator Transition in EuNiO3/LANiO3...Conductivity Dynamics of the Metal to Insulator Transition in EuNiO3/LANiO3 Superlattices Report Title In numerous transition metal oxides (TMO

Recognition- and Reactivity-Based Fluorescent Probes for Studying Transition Metal Signaling in Living Systems

PubMed Central

2015-01-01

Conspectus Metals are essential for life, playing critical roles in all aspects of the central dogma of biology (e.g., the transcription and translation of nucleic acids and synthesis of proteins). Redox-inactive alkali, alkaline earth, and transition metals such as sodium, potassium, calcium, and zinc are widely recognized as dynamic signals, whereas redox-active transition metals such as copper and iron are traditionally thought of as sequestered by protein ligands, including as static enzyme cofactors, in part because of their potential to trigger oxidative stress and damage via Fenton chemistry. Metals in biology can be broadly categorized into two pools: static and labile. In the former, proteins and other macromolecules tightly bind metals; in the latter, metals are bound relatively weakly to cellular ligands, including proteins and low molecular weight ligands. Fluorescent probes can be useful tools for studying the roles of transition metals in their labile forms. Probes for imaging transition metal dynamics in living systems must meet several stringent criteria. In addition to exhibiting desirable photophysical properties and biocompatibility, they must be selective and show a fluorescence turn-on response to the metal of interest. To meet this challenge, we have pursued two general strategies for metal detection, termed “recognition” and “reactivity”. Our design of transition metal probes makes use of a recognition-based approach for copper and nickel and a reactivity-based approach for cobalt and iron. This Account summarizes progress in our laboratory on both the development and application of fluorescent probes to identify and study the signaling roles of transition metals in biology. In conjunction with complementary methods for direct metal detection and genetic and/or pharmacological manipulations, fluorescent probes for transition metals have helped reveal a number of principles underlying transition metal dynamics. In this Account, we give three recent examples from our laboratory and collaborations in which applications of chemical probes reveal that labile copper contributes to various physiologies. The first example shows that copper is an endogenous regulator of neuronal activity, the second illustrates cellular prioritization of mitochondrial copper homeostasis, and the third identifies the “cuprosome” as a new copper storage compartment in Chlamydomonas reinhardtii green algae. Indeed, recognition- and reactivity-based fluorescent probes have helped to uncover new biological roles for labile transition metals, and the further development of fluorescent probes, including ones with varied Kd values and new reaction triggers and recognition receptors, will continue to reveal exciting and new biological roles for labile transition metals. PMID:26215055

Recognition- and reactivity-based fluorescent probes for studying transition metal signaling in living systems.

PubMed

Aron, Allegra T; Ramos-Torres, Karla M; Cotruvo, Joseph A; Chang, Christopher J

2015-08-18

Metals are essential for life, playing critical roles in all aspects of the central dogma of biology (e.g., the transcription and translation of nucleic acids and synthesis of proteins). Redox-inactive alkali, alkaline earth, and transition metals such as sodium, potassium, calcium, and zinc are widely recognized as dynamic signals, whereas redox-active transition metals such as copper and iron are traditionally thought of as sequestered by protein ligands, including as static enzyme cofactors, in part because of their potential to trigger oxidative stress and damage via Fenton chemistry. Metals in biology can be broadly categorized into two pools: static and labile. In the former, proteins and other macromolecules tightly bind metals; in the latter, metals are bound relatively weakly to cellular ligands, including proteins and low molecular weight ligands. Fluorescent probes can be useful tools for studying the roles of transition metals in their labile forms. Probes for imaging transition metal dynamics in living systems must meet several stringent criteria. In addition to exhibiting desirable photophysical properties and biocompatibility, they must be selective and show a fluorescence turn-on response to the metal of interest. To meet this challenge, we have pursued two general strategies for metal detection, termed "recognition" and "reactivity". Our design of transition metal probes makes use of a recognition-based approach for copper and nickel and a reactivity-based approach for cobalt and iron. This Account summarizes progress in our laboratory on both the development and application of fluorescent probes to identify and study the signaling roles of transition metals in biology. In conjunction with complementary methods for direct metal detection and genetic and/or pharmacological manipulations, fluorescent probes for transition metals have helped reveal a number of principles underlying transition metal dynamics. In this Account, we give three recent examples from our laboratory and collaborations in which applications of chemical probes reveal that labile copper contributes to various physiologies. The first example shows that copper is an endogenous regulator of neuronal activity, the second illustrates cellular prioritization of mitochondrial copper homeostasis, and the third identifies the "cuprosome" as a new copper storage compartment in Chlamydomonas reinhardtii green algae. Indeed, recognition- and reactivity-based fluorescent probes have helped to uncover new biological roles for labile transition metals, and the further development of fluorescent probes, including ones with varied Kd values and new reaction triggers and recognition receptors, will continue to reveal exciting and new biological roles for labile transition metals.

Wolf-Rayet stars in the Small Magellanic Cloud as testbed for massive star evolution

NASA Astrophysics Data System (ADS)

Schootemeijer, A.; Langer, N.

2018-03-01

Context. The majority of the Wolf-Rayet (WR) stars represent the stripped cores of evolved massive stars who lost most of their hydrogen envelope. Wind stripping in single stars is expected to be inefficient in producing WR stars in metal-poor environments such as the Small Magellanic Cloud (SMC). While binary interaction can also produce WR stars at low metallicity, it is puzzling that the fraction of WR binaries appears to be about 40%, independent of the metallicity. Aim. We aim to use the recently determined physical properties of the twelve known SMC WR stars to explore their possible formation channels through comparisons with stellar models. Methods: We used the MESA stellar evolution code to construct two grids of stellar models with SMC metallicity. One of these consists of models of rapidly rotating single stars, which evolve in part or completely chemically homogeneously. In a second grid, we analyzed core helium burning stellar models assuming constant hydrogen and helium gradients in their envelopes. Results: We find that chemically homogeneous evolution is not able to account for the majority of the WR stars in the SMC. However, in particular the apparently single WR star SMC AB12, and the double WR system SMC AB5 (HD 5980) appear consistent with this channel. We further find a dichotomy in the envelope hydrogen gradients required to explain the observed temperatures of the SMC WR stars. Shallow gradients are found for the WR stars with O star companions, while much steeper hydrogen gradients are required to understand the group of hot apparently single WR stars. Conclusions: The derived shallow hydrogen gradients in the WR component of the WR+O star binaries are consistent with predictions from binary models where mass transfer occurs early, in agreement with their binary properties. Since the hydrogen profiles in evolutionary models of massive stars become steeper with time after the main sequence, we conclude that most of the hot (Teff > 60 kK ) apparently single WR stars lost their envelope after a phase of strong expansion, e.g., as the result of common envelope evolution with a lower mass companion. The so far undetected companions, either main sequence stars or compact objects, are then expected to still be present. A corresponding search might identify the first immediate double black hole binary progenitor with masses as high as those detected in GW150914.

The Late-type Eclipsing Binaries in the Large Magellanic Cloud: Catalog of Fundamental Physical Parameters

NASA Astrophysics Data System (ADS)

Graczyk, Dariusz; Pietrzyński, Grzegorz; Thompson, Ian B.; Gieren, Wolfgang; Pilecki, Bogumił; Konorski, Piotr; Villanova, Sandro; Górski, Marek; Suchomska, Ksenia; Karczmarek, Paulina; Stepień, Kazimierz; Storm, Jesper; Taormina, Mónica; Kołaczkowski, Zbigniew; Wielgórski, Piotr; Narloch, Weronika; Zgirski, Bartłomiej; Gallenne, Alexandre; Ostrowski, Jakub; Smolec, Radosław; Udalski, Andrzej; Soszyński, Igor; Kervella, Pierre; Nardetto, Nicolas; Szymański, Michał K.; Wyrzykowski, Łukasz; Ulaczyk, Krzysztof; Poleski, Radosław; Pietrukowicz, Paweł; Kozłowski, Szymon; Skowron, Jan; Mróz, Przemysław

2018-06-01

We present a determination of the precise fundamental physical parameters of 20 detached, double-lined, eclipsing binary stars in the Large Magellanic Cloud (LMC) containing G- or early K-type giant stars. Eleven are new systems; the remaining nine are systems already analyzed by our team for which we present updated parameters. The catalog results from our long-term survey of eclipsing binaries in the Magellanic Clouds suitable for high-precision determination of distances (the Araucaria Project). The V-band brightnesses of the systems range from 15.4 to 17.7 mag, and their orbital periods range from 49 to 773 days. Six systems have favorable geometry showing total eclipses. The absolute dimensions of all eclipsing binary components are calculated with a precision of better than 3%, and all systems are suitable for a precise distance determination. The measured stellar masses are in the range 1.4 to 4.6 M ⊙, and comparison with the MESA isochrones gives ages between 0.1 and 2.1 Gyr. The systems show an age–metallicity relation with no evolution of metallicity for systems older than 0.6 Gyr, followed by a rise to a metallicity maximum at age 0.5 Gyr and then a slow metallicity decrease until 0.1 Gyr. Two systems have components with very different masses: OGLE LMC-ECL-05430 and OGLE LMC-ECL-18365. Neither system can be fitted by a single stellar evolution isochrone, explained by a past mass transfer scenario in the case of ECL-18365 and a gravitational capture or hierarchical binary merger scenario in the case of ECL-05430. The longest-period system, OGLE LMC SC9_230659, shows a surprising apsidal motion that shifts the apparent position of the eclipses. This is a clear sign of a physical companion to the system; however, neither investigation of the spectra nor light-curve analysis indicates a third-light contribution larger than 2%–3%. In one spectrum of OGLE LMC-ECL-12669, we noted a peculiar dimming of one of the components by 65% well outside of the eclipses. We interpret this observation as arising from an extremely rare occultation event, as a foreground Galactic object covers only one component of an extragalactic eclipsing binary.

Competitive sorption of heavy metals by water hyacinth roots.

PubMed

Zheng, Jia-Chuan; Liu, Hou-Qi; Feng, Hui-Min; Li, Wen-Wei; Lam, Michael Hon-Wah; Lam, Paul Kwan-Sing; Yu, Han-Qing

2016-12-01

Heavy metal pollution is a global issue severely constraining aquaculture practices, not only deteriorating the aquatic environment but also threatening the aquaculture production. One promising solution is adopting aquaponics systems where a synergy can be established between aquaculture and aquatic plants for metal sorption, but the interactions of multiple metals in such aquatic plants are poorly understood. In this study, we investigated the absorption behaviors of Cu(II) and Cd(II) in water by water hyacinth roots in both single- and binary-metal systems. Cu(II) and Cd(II) were individually removed by water hyacinth roots at high efficiency, accompanied with release of protons and cations such as Ca 2+ and Mg 2+ . However, in a binary-metal arrangement, the Cd(II) sorption was significantly inhibited by Cu(II), and the higher sorption affinity of Cu(II) accounted for its competitive sorption advantage. Ionic exchange was identified as a predominant mechanism of the metal sorption by water hyacinth roots, and the amine and oxygen-containing groups are the main binding sites accounting for metal sorption via chelation or coordination. This study highlights the interactive impacts of different metals during their sorption by water hyacinth roots and elucidates the underlying mechanism of metal competitive sorption, which may provide useful implications for optimization of phytoremediation system and development of more sustainable aquaculture industry. Copyright © 2016 Elsevier Ltd. All rights reserved.

Cross-linking proteins with bimetallic tetracarboxylate compounds of transition metals

DOEpatents

Kostic, Nenad M.; Chen, Jian

1991-03-05

Stable cross-linked complexes of transition-metal tetracarboxylates and proteins are formed. The preferred transition-metal is rhodium. The protein may be collagen or an enzyme such as a proteolytic enzyme.

Transition metal doped (X = V, Cr) CdS monolayer: A DFT study

NASA Astrophysics Data System (ADS)

Deb, Jyotirmoy; Paul, Debolina; Sarkar, Utpal

2018-05-01

In this work based on density functional theory approach with generalized gradient approximation we have investigated the effect doping and co-doping of transition metal atoms in CdS monolayer sheet. On the basis cohesive energy, we have determined the stability of all the transition metal doped systems. CdS monolayer is of nonmagnetic character but the insertion of transition metal atoms introduces the spontaneous spin polarization which results in a significant value of magnetic moment. The band structure analysis reveals that three different types of conducting nature such as spin-select-half-semiconductor, half metallic and metallic nature with total spin polarization has also been observed. The versatile conducting nature of the transition metal doped CdS monolayer predicts the possibility of using these systems in spintronics mainly as a spin filter and also to form metal-semiconductor interface etc. at nanoscale level.

Binary black hole mergers from globular clusters: Masses, merger rates, and the impact of stellar evolution

NASA Astrophysics Data System (ADS)

Rodriguez, Carl L.; Chatterjee, Sourav; Rasio, Frederic A.

2016-04-01

The recent discovery of GW150914, the binary black hole merger detected by Advanced LIGO, has the potential to revolutionize observational astrophysics. But to fully utilize this new window into the Universe, we must compare these new observations to detailed models of binary black hole formation throughout cosmic time. Expanding upon our previous work [C. L. Rodriguez, M. Morscher, B. Pattabiraman, S. Chatterjee, C.-J. Haster, and F. A. Rasio, Phys. Rev. Lett. 115, 051101 (2015).], we study merging binary black holes formed in globular clusters using our Monte Carlo approach to stellar dynamics. We have created a new set of 52 cluster models with different masses, metallicities, and radii to fully characterize the binary black hole merger rate. These models include all the relevant dynamical processes (such as two-body relaxation, strong encounters, and three-body binary formation) and agree well with detailed direct N -body simulations. In addition, we have enhanced our stellar evolution algorithms with updated metallicity-dependent stellar wind and supernova prescriptions, allowing us to compare our results directly to the most recent population synthesis predictions for merger rates from isolated binary evolution. We explore the relationship between a cluster's global properties and the population of binary black holes that it produces. In particular, we derive a numerically calibrated relationship between the merger times of ejected black hole binaries and a cluster's mass and radius. With our improved treatment of stellar evolution, we find that globular clusters can produce a significant population of massive black hole binaries that merge in the local Universe. We explore the masses and mass ratios of these binaries as a function of redshift, and find a merger rate of ˜5 Gpc-3yr-1 in the local Universe, with 80% of sources having total masses from 32 M⊙ to 64 M⊙. Under standard assumptions, approximately one out of every seven binary black hole mergers in the local Universe will have originated in a globular cluster, but we also explore the sensitivity of this result to different assumptions for binary stellar evolution. If black holes were born with significant natal kicks, comparable to those of neutron stars, then the merger rate of binary black holes from globular clusters would be comparable to that from the field, with approximately 1 /2 of mergers originating in clusters. Finally we point out that population synthesis results for the field may also be modified by dynamical interactions of binaries taking place in dense star clusters which, unlike globular clusters, dissolved before the present day.

Atomic-Scale Tuning of Layered Binary Metal Oxides for High Temperature Moving Assemblies

DTIC Science & Technology

2015-06-01

AFRL-OSR-VA-TR-2015-0166 Atomic-Scale Tuning of Layered Binary Metal OxideS ASHLIE MARTINI UNIVERSITY OF CALIFORNIA MERCED Final Report 06/01/2015...Assemblies 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA9550-12-1-0221 5c.  PROGRAM ELEMENT NUMBER 6.  AUTHOR(S) ASHLIE MARTINI 5d.  PROJECT NUMBER 5e...ABSTRACT UU 18.  NUMBER        OF        PAGES 19a.  NAME OF RESPONSIBLE PERSON ASHLIE MARTINI Standard Form 298 (Rev. 8/98) Prescribed by ANSI Std. Z39.18

Electrochemical Synthesis of Binary Carbides of Tungsten and Iron (Nickel, Cobalt) in Halide-Oxide Melts at 823 K

NASA Astrophysics Data System (ADS)

Kushkhov, Hasbi; Adamokova, Marina; Kvashin, Vitalij; Kardanov, Anzor; Gramoteeva, Svetlana

2007-12-01

Iron, cobalt and nickel powders are used as binding components for the production of articles of tungsten carbide by the hot pressing method. This fact and the unique properties of binary carbides of tungsten-iron triad metals encouraged the search for new ways of their synthesis. In the present work, the attempt to synthezise binary tungsten-nickel (cobalt, iron) carbides in molten KCl-NaCl-CsCl at 823 K was made. As a result of voltammetry research, it was established that in eutectic KCl-NaCl-CsCl melts the deposition potentials ofWand Ni (Co, Fe) differ by 150 - 350 mV from each other, which makes their co-deposition difficult. It is possible to shift the deposition potentials of tungsten and metals of the iron triad metals towards each other by changing the acid-base properties of the melt. The products of electrolysis in these molten system were identified by X-ray analysis. They are mixtures of tungsten and nickel (cobalt, iron) carbides: Ni2W4C, W6C2.54; Co3W3C, Co6W6C, W2C, Co3C; FeW3C.

The effect of binary mixtures of zinc, copper, cadmium, and nickel on the growth of the freshwater diatom Navicula pelliculosa and comparison with mixture toxicity model predictions.

PubMed

Nagai, Takashi; De Schamphelaere, Karel A C

2016-11-01

The authors investigated the effect of binary mixtures of zinc (Zn), copper (Cu), cadmium (Cd), and nickel (Ni) on the growth of a freshwater diatom, Navicula pelliculosa. A 7 × 7 full factorial experimental design (49 combinations in total) was used to test each binary metal mixture. A 3-d fluorescence microplate toxicity assay was used to test each combination. Mixture effects were predicted by concentration addition and independent action models based on a single-metal concentration-response relationship between the relative growth rate and the calculated free metal ion activity. Although the concentration addition model predicted the observed mixture toxicity significantly better than the independent action model for the Zn-Cu mixture, the independent action model predicted the observed mixture toxicity significantly better than the concentration addition model for the Cd-Zn, Cd-Ni, and Cd-Cu mixtures. For the Zn-Ni and Cu-Ni mixtures, it was unclear which of the 2 models was better. Statistical analysis concerning antagonistic/synergistic interactions showed that the concentration addition model is generally conservative (with the Zn-Ni mixture being the sole exception), indicating that the concentration addition model would be useful as a method for a conservative first-tier screening-level risk analysis of metal mixtures. Environ Toxicol Chem 2016;35:2765-2773. © 2016 SETAC. © 2016 SETAC.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

The following are reported: theoretical calculations (configuration interaction, relativistic effective core potentials, polyatomics, CASSCF); proposed theoretical studies (clusters of Cu, Ag, Au, Ni, Pt, Pd, Rh, Ir, Os, Ru; transition metal cluster ions; transition metal carbide clusters; bimetallic mixed transition metal clusters); reactivity studies on transition metal clusters (reactivity with H{sub 2}, C{sub 2}H{sub 4}, hydrocarbons; NO and CO chemisorption on surfaces). Computer facilities and codes to be used, are described. 192 refs, 13 figs.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

A matched filter method for ground-based sub-noise detection of terrestrial extrasolar planets in eclipsing binaries: application to CM Draconis.

PubMed

Jenkins, J M; Doyle, L R; Cullers, D K

1996-02-01

The photometric detection of extrasolar planets by transits in eclipsing binary systems can be significantly improved by cross-correlating the observational light curves with synthetic models of possible planetary transit features, essentially a matched filter approach. We demonstrate the utility and application of this transit detection algorithm for ground-based detections of terrestrial-sized (Earth-to-Neptune radii) extrasolar planets in the dwarf M-star eclipsing binary system CM Draconis. Preliminary photometric observational data of this system demonstrate that the observational noise is well characterized as white and Gaussian at the observational time steps required for precision photometric measurements. Depending on planet formation scenarios, terrestrial-sized planets may form quite close to this low-luminosity system. We demonstrate, for example, that planets as small as 1.4 Earth radii with periods on the order of a few months in the CM Draconis system could be detected at the 99.9% confidence level in less than a year using 1-m class telescopes from the ground. This result contradicts commonly held assumptions limiting present ground-based efforts to, at best, detections of gas giant planets after several years of observation. This method can be readily extended to a number of other larger star systems with the utilization of larger telescopes and longer observing times. Its extension to spacecraft observations should also allow the determination of the presence of terrestrial-sized planets in nearly 100 other known eclipsing binary systems.

A matched filter method for ground-based sub-noise detection of terrestrial extrasolar planets in eclipsing binaries: application to CM Draconis

NASA Technical Reports Server (NTRS)

Jenkins, J. M.; Doyle, L. R.; Cullers, D. K.

1996-01-01

The photometric detection of extrasolar planets by transits in eclipsing binary systems can be significantly improved by cross-correlating the observational light curves with synthetic models of possible planetary transit features, essentially a matched filter approach. We demonstrate the utility and application of this transit detection algorithm for ground-based detections of terrestrial-sized (Earth-to-Neptune radii) extrasolar planets in the dwarf M-star eclipsing binary system CM Draconis. Preliminary photometric observational data of this system demonstrate that the observational noise is well characterized as white and Gaussian at the observational time steps required for precision photometric measurements. Depending on planet formation scenarios, terrestrial-sized planets may form quite close to this low-luminosity system. We demonstrate, for example, that planets as small as 1.4 Earth radii with periods on the order of a few months in the CM Draconis system could be detected at the 99.9% confidence level in less than a year using 1-m class telescopes from the ground. This result contradicts commonly held assumptions limiting present ground-based efforts to, at best, detections of gas giant planets after several years of observation. This method can be readily extended to a number of other larger star systems with the utilization of larger telescopes and longer observing times. Its extension to spacecraft observations should also allow the determination of the presence of terrestrial-sized planets in nearly 100 other known eclipsing binary systems.

A single-degenerate channel for the progenitors of Type Ia supernovae with different metallicities

NASA Astrophysics Data System (ADS)

Meng, X.; Chen, X.; Han, Z.

2009-06-01

A single-degenerate channel for the progenitors of Type Ia supernovae (SNe Ia) is currently accepted, in which a carbon-oxygen white dwarf (CO WD) accretes hydrogen-rich material from its companion, increases its mass to the Chandrasekhar mass limit and then explodes as a SN Ia. Incorporating the prescription of Hachisu et al. for the accretion efficiency into Eggleton's stellar evolution code, and assuming that the prescription is valid for all metallicities, we performed binary stellar evolution calculations for more than 25000 close WD binaries with metallicities Z = 0.06, 0.05, 0.04, 0.03, 0.02, 0.01, 0.004, 0.001, 0.0003 and 0.0001. For our calculations, the companions are assumed to be unevolved or slightly evolved stars (WD + MS). As a result, the initial parameter spaces for SNe Ia at various Z are presented in the orbital period-secondary mass (logPi, Mi2) plane. Our study shows that both the initial mass of the secondary and the initial orbital period increase with metallicity. Thus, the minimum mass of the CO WD for SNe Ia decreases with metallicity Z. The difference in the minimum mass may be as large as 0.24Msolar for different Z. Adopting the results above, we studied the birth rate of SNe Ia for various Z via a binary population synthesis approach. If a single starburst is assumed, SNe Ia occur systemically earlier and the peak value of the birth rate is larger for a high Z. The Galactic birth rate from the WD + MS channel is lower than (but comparable to) that inferred from observations. Our study indicates that supernovae like SN2002ic will not occur in extremely low-metallicity environments, if the delayed dynamical-instability model is appropriate.

Ultraviolet spectra of extreme nearby star-forming regions - approaching a local reference sample for JWST

NASA Astrophysics Data System (ADS)

Senchyna, Peter; Stark, Daniel P.; Vidal-García, Alba; Chevallard, Jacopo; Charlot, Stéphane; Mainali, Ramesh; Jones, Tucker; Wofford, Aida; Feltre, Anna; Gutkin, Julia

2017-12-01

Nearby dwarf galaxies provide a unique laboratory in which to test stellar population models below Z⊙/2. Such tests are particularly important for interpreting the surprising high-ionization ultraviolet (UV) line emission detected at z > 6 in recent years. We present HST/COS UV spectra of 10 nearby metal-poor star-forming galaxies selected to show He II emission in SDSS optical spectra. The targets span nearly a dex in gas-phase oxygen abundance (7.8 < 12 + log O/H < 8.5) and present uniformly large specific star formation rates (sSFR ∼102 Gyr-1). The UV spectra confirm that metal-poor stellar populations can power extreme nebular emission in high-ionization UV lines, reaching C III] equivalent widths comparable to those seen in systems at z ∼ 6-7. Our data reveal a marked transition in UV spectral properties with decreasing metallicity, with systems below 12 + log O/H ≲ 8.0 (Z/Z⊙ ≲ 1/5) presenting minimal stellar wind features and prominent nebular emission in He II and C IV. This is consistent with nearly an order of magnitude increase in ionizing photon production beyond the He+-ionizing edge relative to H-ionizing flux as metallicity decreases below a fifth solar, well in excess of standard stellar population synthesis predictions. Our results suggest that often-neglected sources of energetic radiation such as stripped binary products and very massive O-stars produce a sharper change in the ionizing spectrum with decreasing metallicity than expected. Consequently, nebular emission in C IV and He II powered by these stars may provide useful metallicity constraints in the reionization era.

A Semi-analytical Model for Wind-fed Black Hole High-mass X-Ray Binaries: State Transition Triggered by Magnetic Fields from the Companion Star

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yaji, Kentaro; Yamada, Shinya; Masai, Kuniaki

We propose a mechanism of state transition in wind-fed black hole (BH) binaries (high-mass X-ray binaries) such as Cyg X-1 and LMC X-1. Modeling a line-driven stellar wind from the companion by two-dimensional hydrodynamical calculations, we investigate the processes of wind capture by, and accretion onto, the BH. We assume that the wind acceleration is terminated at the He ii ionization front because ions responsible for line-driven acceleration are ionized within the front, i.e., the He iii region. It is found that the mass accretion rate inferred from the luminosity is remarkably smaller than the capture rate. Considering the difference,more » we construct a model for the state transition based on the accretion flow being controlled by magnetorotational instability. The outer flow is torus-like, and plays an important role to trigger the transition. The model can explain why state transition does occur in Cyg X-1, while not in LMC X-1. Cyg X-1 exhibits a relatively low luminosity, and then the He ii ionization front is located and can move between the companion and BH, depending on its ionizing photon flux. On the other hand, LMC X-1 exhibits too high luminosity for the front to move considerably; the front is too close to the companion atmosphere. The model also predicts that each state of high-soft or low-hard would last fairly long because the luminosity depends weakly on the wind velocity. In the context of the model, the state transition is triggered by a fluctuation of the magnetic field when its amplitude becomes comparable to the field strength in the torus-like outer flow.« less

FERMI OBSERVATION OF THE TRANSITIONAL PULSAR BINARY XSS J12270–4859

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xing, Yi; Wang, Zhongxiang

Because of the disappearance of its accretion disk during the time period of 2012 November–December, XSS J12270–4859 has recently been identified as a transitional millisecond pulsar binary, joining PSR J1023+0038. We have carried out a detailed analysis of the Fermi Large Area Telescope data for this binary. While both spectra  are well-described by an exponentially cut-off power law before and after the disk-disappearance transition, which is typical for pulsars’ emissions in Fermi's 0.2–300 GeV band, we have detected a factor of 2 flux decrease related to the transition. A weak orbital modulation is possibly seen, but is only detectable in the after-transition data, making itmore » the same as orbital modulations found in X-rays. In the long-term light curve of the source before the transition, a factor of 3 flux variations are seen. Compared to the properties of J1023+0038, we discuss the implications from these results. We suggest that since the modulation is aligned with the modulations in X-rays in the orbital phase, it possibly arises due to the occultation of the γ-ray emitting region by the companion. The origin of the variations in the long-term light curve is not clear because the source field also contains unidentified radio or X-ray sources and their contamination cannot be excluded. Multi-wavelength observations of the source field will help identify the origin of the variations by detecting any related flux changes from the in-field sources.« less

Cross-linking proteins with bimetallic tetracarboxylate compounds of transition metals

DOEpatents

Kostic, N.M.; Chen, J.

1991-03-05

Stable cross-linked complexes of transition-metal tetracarboxylates and proteins are formed. The preferred transition-metal is rhodium. The protein may be collagen or an enzyme such as a proteolytic enzyme. No Drawings

Searching for Unresolved Binary Brown Dwarfs

NASA Astrophysics Data System (ADS)

Albretsen, Jacob; Stephens, Denise

2007-10-01

There are currently L and T brown dwarfs (BDs) with errors in their classification of +/- 1 to 2 spectra types. Metallicity and gravitational differences have accounted for some of these discrepancies, and recent studies have shown unresolved binary BDs may offer some explanation as well. However limitations in technology and resources often make it difficult to clearly resolve an object that may be binary in nature. Stephens and Noll (2006) identified statistically strong binary source candidates from Hubble Space Telescope (HST) images of Trans-Neptunian Objects (TNOs) that were apparently unresolved using model point-spread functions for single and binary sources. The HST archive contains numerous observations of BDs using the Near Infrared Camera and Multi-Object Spectrometer (NICMOS) that have never been rigorously analyzed for binary properties. Using methods developed by Stephens and Noll (2006), BD observations from the HST data archive are being analyzed for possible unresolved binaries. Preliminary results will be presented. This technique will identify potential candidates for future observations to determine orbital information.

Microstructure Formation in Dissimilar Metal Welds: Electron Beam Welding of Ti/Ni

NASA Astrophysics Data System (ADS)

Chatterjee, Subhradeep; Abinandanan, T. A.; Reddy, G. Madhusudhan; Chattopadhyay, Kamanio

2016-02-01

We present results for electron beam welding of a binary Ti/Ni dissimilar metal couple. The difference in physical properties of the base metals and metallurgical features (thermodynamics and kinetics) of the system influence both macroscopic transport and microstructure development in the weld. Microstructures near the fusion interfaces are markedly different from those inside the weld region. At the Ti side, Ti2Ni dendrites are observed to grow toward the fusion interface, while in the Ni side, layered growth of γ-Ni, Ni3Ti, and Ni3Ti + NiTi eutectic is observed. Different morphologies of the latter eutectic constitute the predominant microstructure inside the weld metal region. These results are compared and contrasted with those from laser welding of the same binary couple, and a scheme of solidification is proposed to explain the observations. This highlights notable departures from welding of similar and other dissimilar metals such as a significant asymmetry in heat transport that governs progress of solidification from each side of the couple, and a lack of unique liquidus isotherm characterizing the liquid-solid front.

A Comprehensive Stellar Astrophysical Study of the Old Open Cluster M67 with Kepler

NASA Astrophysics Data System (ADS)

Mathieu, Robert D.; Vanderburg, Andrew; K2 M67 Team

2016-06-01

M67 is among the best studied of all star clusters. Being at an age and metallicity very near solar, at an accessible distance of 850 pc with low reddening, and rich in content (over 1000 members including main-sequence dwarfs, a well populated subgiant branch and red giant branch, white dwarfs, blue stragglers, sub-subgiants, X-ray sources and CVs), M67 is a cornerstone of stellar astrophysics.The K2 mission (Campaign 5) has obtained long-cadence observations for 2373 stars, both within an optimized central superaperture and as specified targets outside the superaperture. 1,432 of these stars are likely cluster members based on kinematic and photometric criteria.We have extracted light curves and corrected for K2 roll systematics, producing light curves with noise characteristics qualitatively similar to Kepler light curves of stars of similar magnitudes. The data quality is slightly poorer than for field stars observed by K2 due to crowding near the cluster core, but the data are of sufficient quality to detect seismic oscillations, binary star eclipses, flares, and candidate transit events. We are in the process of uploading light curves and various diagnostic files to MAST; light curves and supporting data will also be made available on ExoFOP.Importantly, several investigators within the M67 K2 team are independently doing light curve extractions and analyses for confirmation of science results. We also are adding extensive ground-based supporting data, including APOGEE near-infrared spectra, TRES and WIYN optical spectra, LCOGT photometry, and more.Our science goals encompass asteroseismology and stellar evolution, alternative stellar evolution pathways in binary stars, stellar rotation and angular momentum evolution, stellar activity, eclipsing binaries and beaming, and exoplanets. We will present early science results as available by the time of the meeting, and certainly including asteroseismology, blue stragglers and sub-subgiants, and newly discovered eclipsing binaries.This work is supported by NASA grant NNX15AW24A to the University of Wisconsin - Madison.

Pattern formation in binary colloidal assemblies: hidden symmetries in a kaleidoscope of structures.

PubMed

Lotito, Valeria; Zambelli, Tomaso

2018-06-10

In this study we present a detailed investigation of the morphology of binary colloidal structures formed by self-assembly at air/water interface of particles of two different sizes, with a size ratio such that the larger particles do not retain a hexagonal arrangement in the binary assembly. While the structure and symmetry of binary mixtures in which such hexagonal order is preserved has been thoroughly scrutinized, binary colloids in the regime of non-preservation of the hexagonal order have not been examined with the same level of detail due also to the difficulty in finding analysis tools suitable to recognize hidden symmetries in seemingly amorphous and disordered arrangements. For this purpose, we resorted to a combination of different analysis tools based on computational geometry and computational topology in order to get a comprehensive picture of the morphology of the assemblies. By carrying out an extensive investigation of binary assemblies in this regime with variable concentration of smaller particles with respect to larger particles, we identify the main patterns that coexist in the apparently disordered assemblies and detect transitions in the symmetries upon increase in the number of small particles. As the concentration of small particles increases, large particle arrangements become more dilute and a transition from hexagonal to rhombic and square symmetries occurs, accompanied also by an increase in clusters of small particles; the relative weight of each specific symmetry can be controlled by varying the composition of the assemblies. The demonstration of the possibility to control the morphology of apparently disordered binary colloidal assemblies by varying experimental conditions and the definition of a route for the investigation of disordered assemblies are precious for future studies of complex colloidal patterns to understand self-assembly mechanisms and to tailor physical properties of colloidal assemblies.

A unified picture of the crystal structures of metals

NASA Astrophysics Data System (ADS)

Söderlind, Per; Eriksson, Olle; Johansson, Börje; Wills, J. M.; Boring, A. M.

1995-04-01

THE crystal structures of the light actinides have intrigued physicists and chemists for several decades1. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic and hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry-tetragonal, orthorhombic and monoclinic. To understand these differences, we have performed total-energy calculations, as a function of volume, for both high-and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all of these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression.

Electrochromic device containing metal oxide nanoparticles and ultraviolet blocking material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garcia, Guillermo; Koo, Bonil; Gregoratto, Ivano

An electrochromic device includes a nanostructured transition metal oxide bronze layer that includes one or more transition metal oxide and one or more dopant. The electrochromic device also includes nanoparticles containing one or more transparent conducting oxide (TCO), a solid state electrolyte, a counter electrode, and at least one protective layer to prevent degradation of the one or more nanostructured transition metal oxide bronze. The nanostructured transition metal oxide bronze selectively modulates transmittance of near-infrared (NIR) and visible radiation as a function of an applied voltage to the device.

First-row transition metal hydrogenation and hydrosilylation catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trovitch, Ryan J.; Mukhopadhyay, Tufan K.; Pal, Raja

Transition metal compounds, and specifically transition metal compounds having a tetradentate and/or pentadentate supporting ligand are described, together with methods for the preparation thereof and the use of such compounds as hydrogenation and/or hydrosilylation catalysts.

Reliable binary cell-fate decisions based on oscillations

NASA Astrophysics Data System (ADS)

Pfeuty, B.; Kaneko, K.

2014-02-01

Biological systems have often to perform binary decisions under highly dynamic and noisy environments, such as during cell-fate determination. These decisions can be implemented by two main bifurcation mechanisms based on the transitions from either monostability or oscillation to bistability. We compare these two mechanisms by using stochastic models with time-varying fields and by establishing asymptotic formulas for the choice probabilities. Different scaling laws for decision sensitivity with respect to noise strength and signal timescale are obtained, supporting a role for oscillatory dynamics in performing noise-robust and temporally tunable binary decision-making. This result provides a rationale for recent experimental evidences showing that oscillatory expression of proteins often precedes binary cell-fate decisions.

Two-order parameters theory of the metal-insulator phase transition kinetics in the magnetic field

NASA Astrophysics Data System (ADS)

Dubovskii, L. B.

2018-05-01

The metal-insulator phase transition is considered within the framework of the Ginzburg-Landau approach for the phase transition described with two coupled order parameters. One of the order parameters is the mass density which variation is responsible for the origin of nonzero overlapping of the two different electron bands and the appearance of free electron carriers. This transition is assumed to be a first-order phase one. The free electron carriers are described with the vector-function representing the second-order parameter responsible for the continuous phase transition. This order parameter determines mostly the physical properties of the metal-insulator transition and leads to a singularity of the surface tension at the metal-insulator interface. The magnetic field is involved into the consideration of the system. The magnetic field leads to new singularities of the surface tension at the metal-insulator interface and results in a drastic variation of the phase transition kinetics. A strong singularity in the surface tension results from the Landau diamagnetism and determines anomalous features of the metal-insulator transition kinetics.

Stabilization mechanism of γ-Mg17Al12 and β-Mg2Al3 complex metallic alloys

NASA Astrophysics Data System (ADS)

Vrtnik, S.; Jazbec, S.; Jagodič, M.; Korelec, A.; Hosnar, L.; Jagličić, Z.; Jeglič, P.; Feuerbacher, M.; Mizutani, U.; Dolinšek, J.

2013-10-01

Large-unit-cell complex metallic alloys (CMAs) frequently achieve stability by lowering the kinetic energy of the electron system through formation of a pseudogap in the electronic density of states (DOS) across the Fermi energy ɛF. By employing experimental techniques that are sensitive to the electronic DOS in the vicinity of ɛF, we have studied the stabilization mechanism of two binary CMA phases from the Al-Mg system: the γ-Mg17Al12 phase with 58 atoms in the unit cell and the β-Mg2Al3 phase with 1178 atoms in the unit cell. Since the investigated alloys are free from transition metal elements, orbital hybridization effects must be small and we were able to test whether the alloys obey the Hume-Rothery stabilization mechanism, where a pseudogap in the DOS is produced by the Fermi surface-Brillouin zone interactions. The results have shown that the DOS of the γ-Mg17Al12 phase exhibits a pronounced pseudogap centered almost exactly at ɛF, which is compatible with the theoretical prediction that this phase is stabilized by the Hume-Rothery mechanism. The disordered cubic β-Mg2Al3 phase is most likely entropically stabilized at high temperatures, whereas at lower temperatures stability is achieved by undergoing a structural phase transition to more ordered rhombohedral β‧ phase at 214 ° C, where all atomic sites become fully occupied. No pseudogap in the vicinity of ɛF was detected for the β‧ phase on the energy scale of a few 100 meV as determined by the ‘thermal observation window’ of the Fermi-Dirac function, so that the Hume-Rothery stabilization mechanism is not confirmed for this compound. However, the existence of a much broader shallow pseudogap due to several critical reciprocal lattice vectors \\buildrel{\\rightharpoonup}\\over{G} that simultaneously satisfy the Hume-Rothery interference condition remains the most plausible stabilization mechanism of this phase. At Tc = 0.85 K, the β‧ phase undergoes a superconducting transition, which slightly increases the cohesive energy and may contribute to relative stability of this phase against competing neighboring phases.

Economic valuation by the method of paired comparison, with emphasis on evaluation of the transitivity axiom

Treesearch

George L. Peterson; Thomas C. Brown

1998-01-01

The paired comparison (PC) method is used to investigate reliability, transitivity, and decision time for binary choices among goods and sums of money. The PC method reveals inconsistent choices and yields individual preference order over the set of items being compared. The data reported support the transitivity assumption and demonstrate high reliability for...

The use of nutshell carbons in drinking water filters for removal of trace metals.

PubMed

Ahmedna, Mohamed; Marshall, Wayne E; Husseiny, Abdo A; Rao, Ramu M; Goktepe, Ipek

2004-02-01

Filtration of drinking water by point-of-use (POU) or point-of-entry (POE) systems is becoming increasingly popular in the United States. Drinking water is filtered to remove both organic and inorganic contaminants. The objective of this study was to evaluate the use of granular activated carbon from nutshells (almond, English walnut, pecan) in a POU water filtration system to determine its effectiveness in removing select, potentially toxic metal ions, namely, copper (Cu2+), lead (Pb2+) or zinc (Zn2+) found in drinking water. The nutshell-based carbon system was designated "Envirofilter" and was compared to four commercial POU systems with brand names of BRITA, Omni Filter, PUR and Teledyne Water Pik. Eight prototype "Envirofilters", consisting of individual or binary mixtures of carbons made from acid-activated almond or pecan shells and steam-activated pecan or walnut shells were constructed and evaluated for adsorption of the three metal ions. The results indicated that a binary mixture of carbons from acid-activated almond and either steam-activated pecan or walnut shells were the most effective in removing these metals from drinking water of all the POU systems evaluated. Binary mixtures of acid-activated almond shell-based carbon with either steam-activated pecan shell- or walnut shell-based carbon removed nearly 100% of lead ion, 90-95% of copper ion and 80-90% of zinc ion. Overall the performance data on the "Envirofilters" suggest that these prototypes require less carbon than commercial filters to achieve the same metal adsorption efficiency and may also be a less expensive product.

The use of zeta potential as a tool to study phase transitions in binary phosphatidylcholines mixtures.

PubMed

Sierra, M B; Pedroni, V I; Buffo, F E; Disalvo, E A; Morini, M A

2016-06-01

Temperature dependence of the zeta potential (ZP) is proposed as a tool to analyze the thermotropic behavior of unilamellar liposomes prepared from binary mixtures of phosphatidylcholines in the absence or presence of ions in aqueous suspensions. Since the lipid phase transition influences the surface potential of the liposome reflecting a sharp change in the ZP during the transition, it is proposed as a screening method for transition temperatures in complex systems, given its high sensitivity and small amount of sample required, that is, 70% less than that required in the use of conventional calorimeters. The sensitivity is also reflected in the pre-transition detection in the presence of ions. Plots of phase boundaries for these mixed-lipid vesicles were constructed by plotting the delimiting temperatures of both main phase transition and pre-transition vs. the lipid composition of the vesicle. Differential scanning calorimetry (DSC) studies, although subject to uncertainties in interpretation due to broad bands in lipid mixtures, allowed the validation of the temperature dependence of the ZP method for determining the phase transition and pre-transition temperatures. The system chosen was dipalmitoylphosphatidylcholine/dimyristoyl phosphatidylcholine (DMPC/DPPC), the most common combination in biological membranes. This work may be considered as a starting point for further research into more complex lipid mixtures with functional biological importance. Copyright © 2016 Elsevier B.V. All rights reserved.

Liquid-glass transition in equilibrium

NASA Astrophysics Data System (ADS)

Parisi, G.; Seoane, B.

2014-02-01

We show in numerical simulations that a system of two coupled replicas of a binary mixture of hard spheres undergoes a phase transition in equilibrium at a density slightly smaller than the glass transition density for an unreplicated system. This result is in agreement with the theories that predict that such a transition is a precursor of the standard ideal glass transition. The critical properties are compatible with those of an Ising system. The relations of this approach to the conventional approach based on configurational entropy are briefly discussed.

Astrophysical Implications of the Binary Black-hole Merger GW150914

NASA Astrophysics Data System (ADS)

Abbott, B. P.; Abbott, R.; Abbott, T. D.; Abernathy, M. R.; Acernese, F.; Ackley, K.; Adams, C.; Adams, T.; Addesso, P.; Adhikari, R. X.; Adya, V. B.; Affeldt, C.; Agathos, M.; Agatsuma, K.; Aggarwal, N.; Aguiar, O. D.; Aiello, L.; Ain, A.; Ajith, P.; Allen, B.; Allocca, A.; Altin, P. A.; Anderson, S. B.; Anderson, W. G.; Arai, K.; Araya, M. C.; Arceneaux, C. C.; Areeda, J. S.; Arnaud, N.; Arun, K. G.; Ascenzi, S.; Ashton, G.; Ast, M.; Aston, S. M.; Astone, P.; Aufmuth, P.; Aulbert, C.; Babak, S.; Bacon, P.; Bader, M. K. M.; Baker, P. T.; Baldaccini, F.; Ballardin, G.; Ballmer, S. W.; Barayoga, J. C.; Barclay, S. E.; Barish, B. C.; Barker, D.; Barone, F.; Barr, B.; Barsotti, L.; Barsuglia, M.; Barta, D.; Bartlett, J.; Bartos, I.; Bassiri, R.; Basti, A.; Batch, J. C.; Baune, C.; Bavigadda, V.; Bazzan, M.; Behnke, B.; Bejger, M.; Belczynski, C.; Bell, A. S.; Bell, C. J.; Berger, B. K.; Bergman, J.; Bergmann, G.; Berry, C. P. L.; Bersanetti, D.; Bertolini, A.; Betzwieser, J.; Bhagwat, S.; Bhandare, R.; Bilenko, I. A.; Billingsley, G.; Birch, J.; Birney, R.; Biscans, S.; Bisht, A.; Bitossi, M.; Biwer, C.; Bizouard, M. A.; Blackburn, J. K.; Blair, C. D.; Blair, D. G.; Blair, R. M.; Bloemen, S.; Bock, O.; Bodiya, T. P.; Boer, M.; Bogaert, G.; Bogan, C.; Bohe, A.; Bojtos, P.; Bond, C.; Bondu, F.; Bonnand, R.; Boom, B. A.; Bork, R.; Boschi, V.; Bose, S.; Bouffanais, Y.; Bozzi, A.; Bradaschia, C.; Brady, P. R.; Braginsky, V. B.; Branchesi, M.; Brau, J. E.; Briant, T.; Brillet, A.; Brinkmann, M.; Brisson, V.; Brockill, P.; Brooks, A. F.; Brown, D. A.; Brown, D. D.; Brown, N. M.; Buchanan, C. C.; Buikema, A.; Bulik, T.; Bulten, H. J.; Buonanno, A.; Buskulic, D.; Buy, C.; Byer, R. L.; Cadonati, L.; Cagnoli, G.; Cahillane, C.; Calderón Bustillo, J.; Callister, T.; Calloni, E.; Camp, J. B.; Cannon, K. C.; Cao, J.; Capano, C. D.; Capocasa, E.; Carbognani, F.; Caride, S.; Casanueva Diaz, J.; Casentini, C.; Caudill, S.; Cavaglià, M.; Cavalier, F.; Cavalieri, R.; Cella, G.; Cepeda, C.; Cerboni Baiardi, L.; Cerretani, G.; Cesarini, E.; Chakraborty, R.; Chalermsongsak, T.; Chamberlin, S. J.; Chan, M.; Chao, S.; Charlton, P.; Chassande-Mottin, E.; Chen, H. Y.; Chen, Y.; Cheng, C.; Chincarini, A.; Chiummo, A.; Cho, H. S.; Cho, M.; Chow, J. H.; Christensen, N.; Chu, Q.; Chua, S.; Chung, S.; Ciani, G.; Clara, F.; Clark, J. A.; Cleva, F.; Coccia, E.; Cohadon, P.-F.; Colla, A.; Collette, C. G.; Cominsky, L.; Constancio, M., Jr.; Conte, A.; Conti, L.; Cook, D.; Corbitt, T. R.; Cornish, N.; Corsi, A.; Cortese, S.; Costa, C. A.; Coughlin, M. W.; Coughlin, S. B.; Coulon, J.-P.; Countryman, S. T.; Couvares, P.; Cowan, E. E.; Coward, D. M.; Cowart, M. J.; Coyne, D. C.; Coyne, R.; Craig, K.; Creighton, J. D. E.; Cripe, J.; Crowder, S. G.; Cumming, A.; Cunningham, L.; Cuoco, E.; Dal Canton, T.; Danilishin, S. L.; D'Antonio, S.; Danzmann, K.; Darman, N. S.; Dattilo, V.; Dave, I.; Daveloza, H. P.; Davier, M.; Davies, G. S.; Daw, E. J.; Day, R.; DeBra, D.; Debreczeni, G.; Degallaix, J.; De Laurentis, M.; Deléglise, S.; Del Pozzo, W.; Denker, T.; Dent, T.; Dereli, H.; Dergachev, V.; DeRosa, R.; DeRosa, R. T.; DeSalvo, R.; Dhurandhar, S.; Díaz, M. C.; Di Fiore, L.; Di Giovanni, M.; Di Lieto, A.; Di Pace, S.; Di Palma, I.; Di Virgilio, A.; Dojcinoski, G.; Dolique, V.; Donovan, F.; Dooley, K. L.; Doravari, S.; Douglas, R.; Downes, T. P.; Drago, M.; Drever, R. W. P.; Driggers, J. C.; Du, Z.; Ducrot, M.; Dwyer, S. E.; Edo, T. B.; Edwards, M. C.; Effler, A.; Eggenstein, H.-B.; Ehrens, P.; Eichholz, J.; Eikenberry, S. S.; Engels, W.; Essick, R. C.; Etzel, T.; Evans, M.; Evans, T. M.; Everett, R.; Factourovich, M.; Fafone, V.; Fair, H.; Fairhurst, S.; Fan, X.; Fang, Q.; Farinon, S.; Farr, B.; Farr, W. M.; Favata, M.; Fays, M.; Fehrmann, H.; Fejer, M. M.; Ferrante, I.; Ferreira, E. C.; Ferrini, F.; Fidecaro, F.; Fiori, I.; Fiorucci, D.; Fisher, R. P.; Flaminio, R.; Fletcher, M.; Fournier, J.-D.; Franco, S.; Frasca, S.; Frasconi, F.; Frei, Z.; Freise, A.; Frey, R.; Frey, V.; Fricke, T. T.; Fritschel, P.; Frolov, V. V.; Fulda, P.; Fyffe, M.; Gabbard, H. A. G.; Gair, J. R.; Gammaitoni, L.; Gaonkar, S. G.; Garufi, F.; Gatto, A.; Gaur, G.; Gehrels, N.; Gemme, G.; Gendre, B.; Genin, E.; Gennai, A.; George, J.; Gergely, L.; Germain, V.; Ghosh, Archisman; Ghosh, S.; Giaime, J. A.; Giardina, K. D.; Giazotto, A.; Gill, K.; Glaefke, A.; Goetz, E.; Goetz, R.; Gondan, L.; González, G.; Gonzalez Castro, J. M.; Gopakumar, A.; Gordon, N. A.; Gorodetsky, M. L.; Gossan, S. E.; Gosselin, M.; Gouaty, R.; Graef, C.; Graff, P. B.; Granata, M.; Grant, A.; Gras, S.; Gray, C.; Greco, G.; Green, A. C.; Groot, P.; Grote, H.; Grunewald, S.; Guidi, G. M.; Guo, X.; Gupta, A.; Gupta, M. K.; Gushwa, K. E.; Gustafson, E. K.; Gustafson, R.; Hacker, J. J.; Hall, B. R.; Hall, E. D.; Hammond, G.; Haney, M.; Hanke, M. M.; Hanks, J.; Hanna, C.; Hannam, M. D.; Hanson, J.; Hardwick, T.; Harms, J.; Harry, G. M.; Harry, I. W.; Hart, M. J.; Hartman, M. T.; Haster, C.-J.; Haughian, K.; Heidmann, A.; Heintze, M. C.; Heitmann, H.; Hello, P.; Hemming, G.; Hendry, M.; Heng, I. S.; Hennig, J.; Heptonstall, A. W.; Heurs, M.; Hild, S.; Hoak, D.; Hodge, K. A.; Hofman, D.; Hollitt, S. E.; Holt, K.; Holz, D. E.; Hopkins, P.; Hosken, D. J.; Hough, J.; Houston, E. A.; Howell, E. J.; Hu, Y. M.; Huang, S.; Huerta, E. A.; Huet, D.; Hughey, B.; Husa, S.; Huttner, S. H.; Huynh-Dinh, T.; Idrisy, A.; Indik, N.; Ingram, D. R.; Inta, R.; Isa, H. N.; Isac, J.-M.; Isi, M.; Islas, G.; Isogai, T.; Iyer, B. R.; Izumi, K.; Jacqmin, T.; Jang, H.; Jani, K.; Jaranowski, P.; Jawahar, S.; Jiménez-Forteza, F.; Johnson, W. W.; Jones, D. I.; Jones, R.; Jonker, R. J. G.; Ju, L.; K, Haris; Kalaghatgi, C. V.; Kalogera, V.; Kandhasamy, S.; Kang, G.; Kanner, J. B.; Karki, S.; Kasprzack, M.; Katsavounidis, E.; Katzman, W.; Kaufer, S.; Kaur, T.; Kawabe, K.; Kawazoe, F.; Kéfélian, F.; Kehl, M. S.; Keitel, D.; Kelley, D. B.; Kells, W.; Kennedy, R.; Key, J. S.; Khalaidovski, A.; Khalili, F. Y.; Khan, I.; Khan, S.; Khan, Z.; Khazanov, E. A.; Kijbunchoo, N.; Kim, C.; Kim, J.; Kim, K.; Kim, Nam-Gyu; Kim, Namjun; Kim, Y.-M.; King, E. J.; King, P. J.; Kinzel, D. L.; Kissel, J. S.; Kleybolte, L.; Klimenko, S.; Koehlenbeck, S. M.; Kokeyama, K.; Koley, S.; Kondrashov, V.; Kontos, A.; Korobko, M.; Korth, W. Z.; Kowalska, I.; Kozak, D. B.; Kringel, V.; Krishnan, B.; Królak, A.; Krueger, C.; Kuehn, G.; Kumar, P.; Kuo, L.; Kutynia, A.; Lackey, B. D.; Landry, M.; Lange, J.; Lantz, B.; Lasky, P. D.; Lazzarini, A.; Lazzaro, C.; Leaci, P.; Leavey, S.; Lebigot, E. O.; Lee, C. H.; Lee, H. K.; Lee, H. M.; Lee, K.; Lenon, A.; Leonardi, M.; Leong, J. R.; Leroy, N.; Letendre, N.; Levin, Y.; Levine, B. M.; Li, T. G. F.; Libson, A.; Littenberg, T. B.; Lockerbie, N. A.; Logue, J.; Lombardi, A. L.; Lord, J. E.; Lorenzini, M.; Loriette, V.; Lormand, M.; Losurdo, G.; Lough, J. D.; Lück, H.; Lundgren, A. P.; Luo, J.; Lynch, R.; Ma, Y.; MacDonald, T.; Machenschalk, B.; MacInnis, M.; Macleod, D. M.; Magaña-Sandoval, F.; Magee, R. M.; Mageswaran, M.; Majorana, E.; Maksimovic, I.; Malvezzi, V.; Man, N.; Mandel, I.; Mandic, V.; Mangano, V.; Mansell, G. L.; Manske, M.; Mantovani, M.; Marchesoni, F.; Marion, F.; Márka, S.; Márka, Z.; Markosyan, A. S.; Maros, E.; Martelli, F.; Martellini, L.; Martin, I. W.; Martin, R. M.; Martynov, D. V.; Marx, J. N.; Mason, K.; Masserot, A.; Massinger, T. J.; Masso-Reid, M.; Matichard, F.; Matone, L.; Mavalvala, N.; Mazumder, N.; Mazzolo, G.; McCarthy, R.; McClelland, D. E.; McCormick, S.; McGuire, S. C.; McIntyre, G.; McIver, J.; McManus, D. J.; McWilliams, S. T.; Meacher, D.; Meadors, G. D.; Meidam, J.; Melatos, A.; Mendell, G.; Mendoza-Gandara, D.; Mercer, R. A.; Merilh, E.; Merzougui, M.; Meshkov, S.; Messenger, C.; Messick, C.; Meyers, P. M.; Mezzani, F.; Miao, H.; Michel, C.; Middleton, H.; Mikhailov, E. E.; Milano, L.; Miller, J.; Millhouse, M.; Minenkov, Y.; Ming, J.; Mirshekari, S.; Mishra, C.; Mitra, S.; Mitrofanov, V. P.; Mitselmakher, G.; Mittleman, R.; Moggi, A.; Mohan, M.; Mohapatra, S. R. P.; Montani, M.; Moore, B. C.; Moore, C. J.; Moraru, D.; Moreno, G.; Morriss, S. R.; Mossavi, K.; Mours, B.; Mow-Lowry, C. M.; Mueller, C. L.; Mueller, G.; Muir, A. W.; Mukherjee, Arunava; Mukherjee, D.; Mukherjee, S.; Mukund, N.; Mullavey, A.; Munch, J.; Murphy, D. J.; Murray, P. G.; Mytidis, A.; Nardecchia, I.; Naticchioni, L.; Nayak, R. K.; Necula, V.; Nedkova, K.; Nelemans, G.; Neri, M.; Neunzert, A.; Newton, G.; Nguyen, T. T.; Nielsen, A. B.; Nissanke, S.; Nitz, A.; Nocera, F.; Nolting, D.; Normandin, M. E. N.; Nuttall, L. K.; Oberling, J.; Ochsner, E.; O'Dell, J.; Oelker, E.; Ogin, G. H.; Oh, J. J.; Oh, S. H.; Ohme, F.; Oliver, M.; Oppermann, P.; Oram, Richard J.; O'Reilly, B.; O'Shaughnessy, R.; Ottaway, D. J.; Ottens, R. S.; Overmier, H.; Owen, B. J.; Pai, A.; Pai, S. A.; Palamos, J. R.; Palashov, O.; Palomba, C.; Pal-Singh, A.; Pan, H.; Pankow, C.; Pannarale, F.; Pant, B. C.; Paoletti, F.; Paoli, A.; Papa, M. A.; Paris, H. R.; Parker, W.; Pascucci, D.; Pasqualetti, A.; Passaquieti, R.; Passuello, D.; Patricelli, B.; Patrick, Z.; Pearlstone, B. L.; Pedraza, M.; Pedurand, R.; Pekowsky, L.; Pele, A.; Penn, S.; Perreca, A.; Phelps, M.; Piccinni, O.; Pichot, M.; Piergiovanni, F.; Pierro, V.; Pillant, G.; Pinard, L.; Pinto, I. M.; Pitkin, M.; Poggiani, R.; Popolizio, P.; Post, A.; Powell, J.; Prasad, J.; Predoi, V.; Premachandra, S. S.; Prestegard, T.; Price, L. R.; Prijatelj, M.; Principe, M.; Privitera, S.; Prix, R.; Prodi, G. A.; Prokhorov, L.; Puncken, O.; Punturo, M.; Puppo, P.; Pürrer, M.; Qi, H.; Qin, J.; Quetschke, V.; Quintero, E. A.; Quitzow-James, R.; Raab, F. J.; Rabeling, D. S.; Radkins, H.; Raffai, P.; Raja, S.; Rakhmanov, M.; Rapagnani, P.; Raymond, V.; Razzano, M.; Re, V.; Read, J.; Reed, C. M.; Regimbau, T.; Rei, L.; Reid, S.; Reitze, D. H.; Rew, H.; Reyes, S. D.; Ricci, F.; Riles, K.; Robertson, N. A.; Robie, R.; Robinet, F.; Rocchi, A.; Rolland, L.; Rollins, J. G.; Roma, V. J.; Romano, J. D.; Romano, R.; Romanov, G.; Romie, J. H.; Rosińska, D.; Rowan, S.; Rüdiger, A.; Ruggi, P.; Ryan, K.; Sachdev, S.; Sadecki, T.; Sadeghian, L.; Salconi, L.; Saleem, M.; Salemi, F.; Samajdar, A.; Sammut, L.; Sanchez, E. J.; Sandberg, V.; Sandeen, B.; Sanders, J. R.; Sassolas, B.; Sathyaprakash, B. S.; Saulson, P. R.; Sauter, O.; Savage, R. L.; Sawadsky, A.; Schale, P.; Schilling, R.; Schmidt, J.; Schmidt, P.; Schnabel, R.; Schofield, R. M. S.; Schönbeck, A.; Schreiber, E.; Schuette, D.; Schutz, B. F.; Scott, J.; Scott, S. M.; Sellers, D.; Sentenac, D.; Sequino, V.; Sergeev, A.; Serna, G.; Setyawati, Y.; Sevigny, A.; Shaddock, D. A.; Shah, S.; Shahriar, M. S.; Shaltev, M.; Shao, Z.; Shapiro, B.; Shawhan, P.; Sheperd, A.; Shoemaker, D. H.; Shoemaker, D. M.; Siellez, K.; Siemens, X.; Sigg, D.; Silva, A. D.; Simakov, D.; Singer, A.; Singer, L. P.; Singh, A.; Singh, R.; Singhal, A.; Sintes, A. M.; Slagmolen, B. J. J.; Smith, J. R.; Smith, N. D.; Smith, R. J. E.; Son, E. J.; Sorazu, B.; Sorrentino, F.; Souradeep, T.; Srivastava, A. K.; Staley, A.; Steinke, M.; Steinlechner, J.; Steinlechner, S.; Steinmeyer, D.; Stephens, B. C.; Stevenson, S. P.; Stone, R.; Strain, K. A.; Straniero, N.; Stratta, G.; Strauss, N. A.; Strigin, S.; Sturani, R.; Stuver, A. L.; Summerscales, T. Z.; Sun, L.; Sutton, P. J.; Swinkels, B. L.; Szczepańczyk, M. J.; Tacca, M.; Talukder, D.; Tanner, D. B.; Tápai, M.; Tarabrin, S. P.; Taracchini, A.; Taylor, R.; Theeg, T.; Thirugnanasambandam, M. P.; Thomas, E. G.; Thomas, M.; Thomas, P.; Thorne, K. A.; Thorne, K. S.; Thrane, E.; Tiwari, S.; Tiwari, V.; Tokmakov, K. V.; Tomlinson, C.; Tonelli, M.; Torres, C. V.; Torrie, C. I.; Töyrä, D.; Travasso, F.; Traylor, G.; Trifirò, D.; Tringali, M. C.; Trozzo, L.; Tse, M.; Turconi, M.; Tuyenbayev, D.; Ugolini, D.; Unnikrishnan, C. S.; Urban, A. L.; Usman, S. A.; Vahlbruch, H.; Vajente, G.; Valdes, G.; van Bakel, N.; van Beuzekom, M.; van den Brand, J. F. J.; van den Broeck, C.; Vander-Hyde, D. C.; van der Schaaf, L.; van Heijningen, J. V.; van Veggel, A. A.; Vardaro, M.; Vass, S.; Vasúth, M.; Vaulin, R.; Vecchio, A.; Vedovato, G.; Veitch, J.; Veitch, P. J.; Venkateswara, K.; Verkindt, D.; Vetrano, F.; Viceré, A.; Vinciguerra, S.; Vine, D. J.; Vinet, J.-Y.; Vitale, S.; Vo, T.; Vocca, H.; Vorvick, C.; Voss, D.; Vousden, W. D.; Vyatchanin, S. P.; Wade, A. R.; Wade, L. E.; Wade, M.; Walker, M.; Wallace, L.; Walsh, S.; Wang, G.; Wang, H.; Wang, M.; Wang, X.; Wang, Y.; Ward, R. L.; Warner, J.; Was, M.; Weaver, B.; Wei, L.-W.; Weinert, M.; Weinstein, A. J.; Weiss, R.; Welborn, T.; Wen, L.; Weßels, P.; Westphal, T.; Wette, K.; Whelan, J. T.; White, D. J.; Whiting, B. F.; Williams, R. D.; Williamson, A. R.; Willis, J. L.; Willke, B.; Wimmer, M. H.; Winkler, W.; Wipf, C. C.; Wittel, H.; Woan, G.; Worden, J.; Wright, J. L.; Wu, G.; Yablon, J.; Yam, W.; Yamamoto, H.; Yancey, C. C.; Yap, M. J.; Yu, H.; Yvert, M.; Zadrożny, A.; Zangrando, L.; Zanolin, M.; Zendri, J.-P.; Zevin, M.; Zhang, F.; Zhang, L.; Zhang, M.; Zhang, Y.; Zhao, C.; Zhou, M.; Zhou, Z.; Zhu, X. J.; Zucker, M. E.; Zuraw, S. E.; and; Zweizig, J.; LIGO Scientific Collaboration; Virgo Collaboration

2016-02-01

The discovery of the gravitational-wave (GW) source GW150914 with the Advanced LIGO detectors provides the first observational evidence for the existence of binary black hole (BH) systems that inspiral and merge within the age of the universe. Such BH mergers have been predicted in two main types of formation models, involving isolated binaries in galactic fields or dynamical interactions in young and old dense stellar environments. The measured masses robustly demonstrate that relatively “heavy” BHs (≳ 25 {M}⊙ ) can form in nature. This discovery implies relatively weak massive-star winds and thus the formation of GW150914 in an environment with a metallicity lower than about 1/2 of the solar value. The rate of binary-BH (BBH) mergers inferred from the observation of GW150914 is consistent with the higher end of rate predictions (≳ 1 Gpc-3 yr-1) from both types of formation models. The low measured redshift (z≃ 0.1) of GW150914 and the low inferred metallicity of the stellar progenitor imply either BBH formation in a low-mass galaxy in the local universe and a prompt merger, or formation at high redshift with a time delay between formation and merger of several Gyr. This discovery motivates further studies of binary-BH formation astrophysics. It also has implications for future detections and studies by Advanced LIGO and Advanced Virgo, and GW detectors in space.

Astrophysical Implications of the Binary Black Hole Merger GW150914

NASA Technical Reports Server (NTRS)

Abbott, B. P.; Abbott, R.; Abbott, T. D.; Abernathy, M. R.; Acernese, F.; Ackley, K.; Adams, C.; Adams, T.; Addesso, P.; Adhikari, R. X.;

STRUCTURAL, ELASTIC AND MECHANICAL PROPERTIES OF TMN (TM = Ti, V, Cr): A DFT STUDY

NASA Astrophysics Data System (ADS)

Jiao, Zhao-Yong; Niu, Yi-Jun; Ma, Shu-Hong; Huang, Xiao-Fen

2013-08-01

Mechanical properties and the effect of metallic bonding on the hardness of transition-metal nitrides (TiN, VN and CrN) compounds are studied using the first-principles calculation. Present results show that these transition-metal nitrides are mechanically stable and the VN and CrN are ductile, whereas TiN is predicted to be brittle. Moreover, it is found that the high hardness of TiN, VN and CrN exhibits a remarkable decrease with transition-metal changed from Ti to Cr, and the metallic d-d interactions play important roles on determining the hardness of transition-metal nitrides.

Free energy change of off-eutectic binary alloys on solidification

NASA Technical Reports Server (NTRS)

Ohsaka, K.; Trinh, E. H.; Lin, J.-C.; Perepezko, J. H.

1991-01-01

A formula for the free energy difference between the undercooled liquid phase and the stable solid phase is derived for off-eutectic binary alloys in which the equilibrium solid/liquid transition takes place over a certain temperature range. The free energy change is then evaluated numerically for a Bi-25 at. pct Cd alloy modeled as a sub-subregular solution.

An Alternative Approach to the Teaching of Systematic Transition Metal Chemistry.

ERIC Educational Resources Information Center

Hathaway, Brian

1979-01-01

Presents an alternative approach to teaching Systematic Transition Metal Chemistry with the transition metal chemistry skeleton features of interest. The "skeleton" is intended as a guide to predicting the chemistry of a selected compound. (Author/SA)

Quantum spin liquids and the metal-insulator transition in doped semiconductors.

PubMed

Potter, Andrew C; Barkeshli, Maissam; McGreevy, John; Senthil, T

2012-08-17

We describe a new possible route to the metal-insulator transition in doped semiconductors such as Si:P or Si:B. We explore the possibility that the loss of metallic transport occurs through Mott localization of electrons into a quantum spin liquid state with diffusive charge neutral "spinon" excitations. Such a quantum spin liquid state can appear as an intermediate phase between the metal and the Anderson-Mott insulator. An immediate testable consequence is the presence of metallic thermal conductivity at low temperature in the electrical insulator near the metal-insulator transition. Further, we show that though the transition is second order, the zero temperature residual electrical conductivity will jump as the transition is approached from the metallic side. However, the electrical conductivity will have a nonmonotonic temperature dependence that may complicate the extrapolation to zero temperature. Signatures in other experiments and some comparisons with existing data are made.

Winds and accretion in delta Sagittae

NASA Technical Reports Server (NTRS)

Eaton, Joel A.; Hartkopf, William I.; Mcalister, Harold A.; Mason, Brian D.

1995-01-01

The ten-year binary delta Sge (M2 Ib-II+B9.5 V) is a zeta Aur binary containing an abnormally cool component. Combining our analysis of the system as a visual binary with Batten's radial-velocity solution leads to the following properties: i = 40 deg, a = 51 mas = 8.83 A.U. = 1893 solar radius, hence d = 173 pc; M(sub B) = 2.9 solar mass and M(sub M) = 3.8 solar mass; and R(sub B) = 2.6 solar radius and R(sub M) = 152 solar radius. This interpretation of the orbit places the M supergiant on the asymptotic giant branch. We have collected ultraviolet spectra throughout the star's 1980-90 orbit, concentrated around the conjuction of 1990. The wind of the M giant appears in these as narrow shell lines of singly ionized metals, chiefly Fe II, with P-Cyg profiles at many phases, which show the slow variation in strength expected for the orbit but no pronounced atmospheric eclipse. The terminal velocity of the wind is 16-18 km/s, and its excitation temperature is approximately 10,000 K. Most of the broadening of the wind lines is caused by differential expansion of the atmosphere, with (unmeasurably) low turbulent velocities. Nontheless, the mass loss rate (1.1 +/- 0.4 X 10 (exp -8) solar mas/yr) is almost the same as found previously by Reimers and Schroder for very different assumptions about the velocity structure. Also seen in the spectrum throughout the orbit are the effects of a variable, high-speed wind as well as evidence for accretion onto the B9.5 star. This high-speed wind absorbs in species of all ionization stages observed, e. g., C II, Mg II, Al III, SI IV, C IV, and has a terminaal velocity in the range 200-450 km/s. We presume this wind originates at the B dwarf, not the M supergiant, and speculate that it comes from an accretion disk, as suggested by recent models of magnetically moderated accretion. Evidence for accretion is redshifted absorption in the same transitions formed in the high-speed wind, as well as broad emission lines of singly ionized metals. This emission seems to be scattered out of the continuum of the B star. Finally, we discuss Auger ionization by accretion luminosity as the cause of the high ionization in these high-speed flows as well as the source of the extended circumstellar clouds of Si(3+) and C(3+) ions in zeta Aur binaries.

Atomic layer deposition of quaternary chalcogenides

DOEpatents

Thimsen, Elijah J; Riha, Shannon C; Martinson, Alex B.F.; Elam, Jeffrey W; Pellin, Michael J

2014-06-03

Methods and systems are provided for synthesis and deposition of chalcogenides (including Cu.sub.2ZnSnS.sub.4). Binary compounds, such as metal sulfides, can be deposited by alternating exposures of the substrate to a metal cation precursor and a chalcogen anion precursor with purge steps between.

Continuous composition-spread thin films of transition metal oxides by pulsed-laser deposition

NASA Astrophysics Data System (ADS)

Ohkubo, I.; Christen, H. M.; Khalifah, P.; Sathyamurthy, S.; Zhai, H. Y.; Rouleau, C. M.; Mandrus, D. G.; Lowndes, D. H.

2004-02-01

We have designed an improved pulsed-laser deposition-continuous composition-spread (PLD-CCS) system that overcomes the difficulties associated with earlier related techniques. Our new PLD-CCS system is based on a precisely controlled synchronization between the laser firing, target exchange, and substrate translation/rotation, and offers more flexibility and control than earlier PLD-based approaches. Most importantly, the deposition energetics and the film thickness are kept constant across the entire composition range, and the resulting samples are sufficiently large to allow characterization by conventional techniques. We fabricated binary alloy composition-spread films composed of SrRuO 3 and CaRuO 3. Alternating ablation from two different ceramic targets leads to in situ alloy formation, and the value of x in Sr xCa x-1 RuO 3 can be changed linearly from 0 to 1 (or over any arbitrarily smaller range) along one direction of the substrate.

Theoretical study of the density of states and magnetic properties of LaCoO3

NASA Astrophysics Data System (ADS)

Zhuang, Min; Zhang, Weiyi; Hu, Cheng; Ming, Naiben

1998-05-01

The density of states and magnetic properties of low-spin, high-spin, and mixing states of LaCoO3 have been studied within the unrestricted Hartree-Fock approximation. The real-space recursion method is adopted for computing the electronic structure of the disordered system. The paramagnetic high-spin state is dealt with using the usual binary alloy coherent potential approximation (CPA); an extended trinary alloy CPA approximation is developed to describe the mixing state. In agreement with experiments, our results show that the main features of the quasiparticle spectra in the mixing state are not a sensitive function of the high-spin component, but the spectrum does get broadened due to spin scattering. The increasing of the high-spin component also results in a pileup of the density of states at the Fermi energy which indicates an insulator to metal phase transition. Some limitations of the present approach are also discussed.

Formation of metallic cation-oxygen network for anomalous thermal expansion coefficients in binary phosphate glass

NASA Astrophysics Data System (ADS)

Onodera, Yohei; Kohara, Shinji; Masai, Hirokazu; Koreeda, Akitoshi; Okamura, Shun; Ohkubo, Takahiro

2017-05-01

Understanding glass structure is still challenging due to the result of disorder, although novel materials design on the basis of atomistic structure has been strongly demanded. Here we report on the atomic structures of the zinc phosphate glass determined by reverse Monte Carlo modelling based on diffraction and spectroscopic data. The zinc-rich glass exhibits the network formed by ZnOx (averaged x<4) polyhedra. Although the elastic modulus, refractive index and glass transition temperature of the zinc phosphate glass monotonically increase with the amount of ZnO, we find for the first time that the thermal expansion coefficient is very sensitive to the substitution of the phosphate chain network by a network consisting of Zn-O units in zinc-rich glass. Our results imply that the control of the structure of intermediate groups may enable new functionalities in the design of oxide glass materials.

Formation of metallic cation-oxygen network for anomalous thermal expansion coefficients in binary phosphate glass.

PubMed

Onodera, Yohei; Kohara, Shinji; Masai, Hirokazu; Koreeda, Akitoshi; Okamura, Shun; Ohkubo, Takahiro

2017-05-31

Understanding glass structure is still challenging due to the result of disorder, although novel materials design on the basis of atomistic structure has been strongly demanded. Here we report on the atomic structures of the zinc phosphate glass determined by reverse Monte Carlo modelling based on diffraction and spectroscopic data. The zinc-rich glass exhibits the network formed by ZnO x (averaged x<4) polyhedra. Although the elastic modulus, refractive index and glass transition temperature of the zinc phosphate glass monotonically increase with the amount of ZnO, we find for the first time that the thermal expansion coefficient is very sensitive to the substitution of the phosphate chain network by a network consisting of Zn-O units in zinc-rich glass. Our results imply that the control of the structure of intermediate groups may enable new functionalities in the design of oxide glass materials.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Susarla, Sandhya; Kochat, Vidya; Kutana, Alex

Transition metal dichalcogenide (TMD) alloys form a broad class of two-dimensional (2D) layered materials with tunable bandgaps leading to interesting optoelectronic applications. In the bottom-up approach of building these atomically thin materials, atomic doping plays a crucial role. Here we demonstrate a single step CVD (chemical vapor deposition) growth procedure for obtaining binary alloys and heterostructures by tuning atomic composition. We show that a minute doping of tin during the growth phase of the Mo 1–xW xS 2 alloy system leads to formation of lateral and vertical heterostructure growth. High angle annular dark field scanning transmission electron microscopy (HAADF-STEM) imagingmore » and density functional theory (DFT) calculations also support the modified stacking and growth mechanism due to the nonisomorphous Sn substitution. Our experiments demonstrate the possibility of growing heterostructures of TMD alloys whose spectral responses can be desirably tuned for various optoelectronic applications.« less

Manipulating Light with Transition Metal Clusters, Organic Dyes, and Metal Organic Frameworks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ogut, Serdar

The primary goals of our research program is to develop and apply state-of-the-art first-principles methods to predict electronic and optical properties of three systems of significant scientific and technological interest: transition metal clusters, organic dyes, and metal-organic frameworks. These systems offer great opportunities to manipulate light for a wide ranging list of energy-related scientific problems and applications. During this grant period, we focused our investigations on the development, implementation, and benchmarking of many-body Green’s function methods (GW approximation and the Bethe-Salpeter equation) to examine excited-state properties of transition metal/transition-metal-oxide clusters and organic molecules that comprise the building blocks of dyesmore » and metal-organic frameworks.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoshitake, Michiko, E-mail: yoshitake.michiko@nims.go.jp

Transition-metal carbides and nitrides (TMCs and TMNs) are promising electrode materials for various electronic devices such as metal-oxide-semiconductor field-effect transistors and metal-insulator-metal capacitors. In this paper, the work functions of TMCs and TMNs are discussed systematically. Based upon the origin of the work function, the effect upon transition metal species by different periodic table groups is explained, carbides are compared with nitrides for the same transition metal, and the effect of carbon or nitrogen vacancies is discussed. In addition, a method to estimate the generic trend of the work function is proposed for TMC{sub x}, TMN{sub x}, TMC{sub 1−y}N{sub y}more » (transition metal carbonitrides), and TM{sub 1−z}TM′{sub z}C (alloy carbides)« less

Mixing and electronic entropy contributions to thermal energy storage in low melting point alloys

NASA Astrophysics Data System (ADS)

Shamberger, Patrick J.; Mizuno, Yasushi; Talapatra, Anjana A.

2017-07-01

Melting of crystalline solids is associated with an increase in entropy due to an increase in configurational, rotational, and other degrees of freedom of a system. However, the magnitude of chemical mixing and electronic degrees of freedom, two significant contributions to the entropy of fusion, remain poorly constrained, even in simple 2 and 3 component systems. Here, we present experimentally measured entropies of fusion in the Sn-Pb-Bi and In-Sn-Bi ternary systems, and decouple mixing and electronic contributions. We demonstrate that electronic effects remain the dominant contribution to the entropy of fusion in multi-component post-transition metal and metalloid systems, and that excess entropy of mixing terms can be equal in magnitude to ideal mixing terms, causing regular solution approximations to be inadequate in the general case. Finally, we explore binary eutectic systems using mature thermodynamic databases, identifying eutectics containing at least one semiconducting intermetallic phase as promising candidates to exceed the entropy of fusion of monatomic endmembers, while simultaneously maintaining low melting points. These results have significant implications for engineering high-thermal conductivity metallic phase change materials to store thermal energy.

Three-dimensional hollow-structured binary oxide particles as an advanced anode material for high-rate and long cycle life lithium-ion batteries

DOE PAGES

Wang, Deli; Wang, Jie; He, Huan; ...

2015-12-30

Transition metal oxides are among the most promising anode candidates for next-generation lithium-ion batteries for their high theoretical capacity. However, the large volume expansion and low lithium ion diffusivity leading to a poor charging/discharging performance. In this study, we developed a surfactant and template-free strategy for the synthesis of a composite of Co xFe 3–xO 4 hollow spheres supported by carbon nanotubes via an impregnation–reduction–oxidation process. The synergy of the composite, as well as the hollow structures in the electrode materials, not only facilitate Li ion and electron transport, but also accommodate large volume expansion. Using state-of-the-art electron tomography, wemore » directly visualize the particles in 3-D, where the voids in the hollow structures serve to buffer the volume expansion of the material. These improvements result in a high reversible capacity as well as an outstanding rate performance for lithium-ion battery applications. As a result, this study sheds light on large-scale production of hollow structured metal oxides for commercial applications in energy storage and conversion.« less

Evidence for a planetary mass third body orbiting the binary star KIC 5095269

NASA Astrophysics Data System (ADS)

Getley, A. K.; Carter, B.; King, R.; O'Toole, S.

2017-07-01

In this paper, we report the evidence for a planetary mass body orbiting the close binary star KIC 5095269. This detection arose from a search for eclipse timing variations amongst the more than 2000 eclipsing binaries observed by Kepler. Light curve and periodic eclipse time variations have been analysed using systemic and a custom Binary Eclipse Timings code based on the Transit Analysis Package which indicates a 7.70 ± 0.08MJup object orbiting every 237.7 ± 0.1 d around a 1.2 M⊙ primary and a 0.51 M⊙ secondary in an 18.6 d orbit. A dynamical integration over 107 yr suggests a stable orbital configuration. Radial velocity observations are recommended to confirm the properties of the binary star components and the planetary mass of the companion.

A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance

PubMed Central

Germe, Thomas; Vörös, Judit; Jeannot, Frederic; Taillier, Thomas; Stavenger, Robert A; Bacqué, Eric; Bax, Benjamin D

2018-01-01

Abstract Imidazopyrazinones (IPYs) are a new class of compounds that target bacterial topoisomerases as a basis for their antibacterial activity. We have characterized the mechanism of these compounds through structural/mechanistic studies showing they bind and stabilize a cleavage complex between DNA gyrase and DNA (‘poisoning’) in an analogous fashion to fluoroquinolones, but without the requirement for the water–metal–ion bridge. Biochemical experiments and structural studies of cleavage complexes of IPYs compared with an uncleaved gyrase–DNA complex, reveal conformational transitions coupled to DNA cleavage at the DNA gate. These involve movement at the GyrA interface and tilting of the TOPRIM domains toward the scissile phosphate coupled to capture of the catalytic metal ion. Our experiments show that these structural transitions are involved generally in poisoning of gyrase by therapeutic compounds and resemble those undergone by the enzyme during its adenosine triphosphate-coupled strand-passage cycle. In addition to resistance mutations affecting residues that directly interact with the compounds, we characterized a mutant (D82N) that inhibits formation of the cleavage complex by the unpoisoned enzyme. The D82N mutant appears to act by stabilizing the binary conformation of DNA gyrase with uncleaved DNA without direct interaction with the compounds. This provides general insight into the resistance mechanisms to antibiotics targeting bacterial type II topoisomerases. PMID:29538767

Correlation between oxygen adsorption energy and electronic structure of transition metal macrocyclic complexes.

PubMed

Liu, Kexi; Lei, Yinkai; Wang, Guofeng

2013-11-28

Oxygen adsorption energy is directly relevant to the catalytic activity of electrocatalysts for oxygen reduction reaction (ORR). In this study, we established the correlation between the O2 adsorption energy and the electronic structure of transition metal macrocyclic complexes which exhibit activity for ORR. To this end, we have predicted the molecular and electronic structures of a series of transition metal macrocyclic complexes with planar N4 chelation, as well as the molecular and electronic structures for the O2 adsorption on these macrocyclic molecules, using the density functional theory calculation method. We found that the calculated adsorption energy of O2 on the transition metal macrocyclic complexes was linearly related to the average position (relative to the lowest unoccupied molecular orbital of the macrocyclic complexes) of the non-bonding d orbitals (d(z(2)), d(xy), d(xz), and d(yz)) which belong to the central transition metal atom. Importantly, our results suggest that varying the energy level of the non-bonding d orbitals through changing the central transition metal atom and/or peripheral ligand groups could be an effective way to tuning their O2 adsorption energy for enhancing the ORR activity of transition metal macrocyclic complex catalysts.

Metal-doped semiconductor nanoparticles and methods of synthesis thereof

NASA Technical Reports Server (NTRS)

Ren, Zhifeng (Inventor); Wang, Wenzhong (Inventor); Chen, Gang (Inventor); Dresselhaus, Mildred (Inventor); Poudel, Bed (Inventor); Kumar, Shankar (Inventor)

2009-01-01

The present invention generally relates to binary or higher order semiconductor nanoparticles doped with a metallic element, and thermoelectric compositions incorporating such nanoparticles. In one aspect, the present invention provides a thermoelectric composition comprising a plurality of nanoparticles each of which includes an alloy matrix formed of a Group IV element and Group VI element and a metallic dopant distributed within the matrix.

Metal-doped semiconductor nanoparticles and methods of synthesis thereof

DOEpatents

Ren, Zhifeng [Newton, MA; Chen, Gang [Carlisle, MA; Poudel, Bed [West Newton, MA; Kumar, Shankar [Newton, MA; Wang, Wenzhong [Beijing, CN; Dresselhaus, Mildred [Arlington, MA

2009-09-08

The present invention generally relates to binary or higher order semiconductor nanoparticles doped with a metallic element, and thermoelectric compositions incorporating such nanoparticles. In one aspect, the present invention provides a thermoelectric composition comprising a plurality of nanoparticles each of which includes an alloy matrix formed of a Group IV element and Group VI element and a metallic dopant distributed within the matrix.

Adsorption of Zn(II) and Cd(II) ions in batch system by using the Eichhornia crassipes.

PubMed

Módenes, A N; Espinoza-Quiñones, F R; Borba, C E; Trigueros, D E G; Lavarda, F L; Abugderah, M M; Kroumov, A D

2011-01-01

In this work, the displacement effects on the sorption capacities of zinc and cadmium ions of the Eichornia crassipes-type biosorbent in batch binary system has been studied. Preliminary single metal sorption experiments were carried out. An improvement on the Zn(II) and Cd(II) ions removal was achieved by working at 30 °C temperature and with non-uniform biosorbent grain sizes. A 60 min equilibrium time was achieved for both Zn(II) and Cd(II) ions. Furthermore, it was found that the overall kinetic data were best described by the pseudo second-order kinetic model. Classical multi-component adsorption isotherms have been tested as well as a modified extended Langmuir isotherm model, showing good agreement with the equilibrium binary data. Around 0.65 mequiv./g maximum metal uptake associated with the E. crassipes biosorbent was attained and the E. crassipes biosorbent has shown higher adsorption affinity for the zinc ions than for the cadmium ones in the binary system.

Exact analytical solution of irreversible binary dynamics on networks.

PubMed

Laurence, Edward; Young, Jean-Gabriel; Melnik, Sergey; Dubé, Louis J

2018-03-01

In binary cascade dynamics, the nodes of a graph are in one of two possible states (inactive, active), and nodes in the inactive state make an irreversible transition to the active state, as soon as their precursors satisfy a predetermined condition. We introduce a set of recursive equations to compute the probability of reaching any final state, given an initial state, and a specification of the transition probability function of each node. Because the naive recursive approach for solving these equations takes factorial time in the number of nodes, we also introduce an accelerated algorithm, built around a breath-first search procedure. This algorithm solves the equations as efficiently as possible in exponential time.

Exact analytical solution of irreversible binary dynamics on networks

NASA Astrophysics Data System (ADS)

Laurence, Edward; Young, Jean-Gabriel; Melnik, Sergey; Dubé, Louis J.

2018-03-01

In binary cascade dynamics, the nodes of a graph are in one of two possible states (inactive, active), and nodes in the inactive state make an irreversible transition to the active state, as soon as their precursors satisfy a predetermined condition. We introduce a set of recursive equations to compute the probability of reaching any final state, given an initial state, and a specification of the transition probability function of each node. Because the naive recursive approach for solving these equations takes factorial time in the number of nodes, we also introduce an accelerated algorithm, built around a breath-first search procedure. This algorithm solves the equations as efficiently as possible in exponential time.

Transparent binary-thickness coatings on metal substrates that produce binary patterns of orthogonal elliptical polarization states in reflected light

NASA Astrophysics Data System (ADS)

Azzam, Rasheed M. A.; Angel, Wade W.

1992-12-01

A reflective division-of-wavefront polarizing beam splitter is described that uses a dual- thickness transparent thin-film coating on a metal substrate. A previous design that used a partially clad substrate at the principal angle of the metal [Azzam, JOSA A 5, 1576 (1988)] is replaced by a more general one in which the substrate is coated throughout and the film thickness alternates between two non-zero levels. The incident linear polarization azimuth is chosen near, but not restricted to, 45 degree(s) (measured from the plane of incidence), and the angle of incidence may be selected over a range of values. The design procedure, which uses the two-dimensional Newton-Raphson method, is applied to the SiO2-Au film- substrate system at 633 nm wavelength, as an example, and the characteristics of the various possible coatings are presented.

A Speckle survey of Southern Hipparcos Visual Doubles and Geneva-Copenhagen Spectroscopic Binaries

NASA Astrophysics Data System (ADS)

Mendez, R. A.; Tokovinin, A.; Horch, E.

2018-01-01

We present a speckle survey of Hipparcos visual doubles and spectroscopic binary stars identified by the Geneva-Copenhagen spectroscopic survey with the SOAR 4m telescope + HRCam. These systems represent our best chance to take advantage of Gaia parallaxes for the purpose of stellar mass determinations. Many of these systems already have mass fractions (although generally no spectroscopic orbit - an astrometric orbit will determine individual masses), metallicity information, and Hipparcos distances. They will be used to improve our knowledge of the mass-luminosity relation, particularly for lower-metallicity stars. Our survey will create the first all-sky, volume-limited, speckle archive for the two primary samples, complementing a similar effort that has been recently been completed at the WIYN 3.5-m telescope in the Northern Hemisphere. This extension to the Southern Hemisphere will fill out the picture for a wider metallicity range.

Metal silicides with energetic pulses

NASA Astrophysics Data System (ADS)

D'Anna, E.; Leggieri, G.; Luches, A.; Majni, G.; Nava, F.; Ottaviani, G.

1986-07-01

Samples formed of a thin metal film deposited on silicon single crystal were annealed with electron and laser (ruby and excimer) pulses over a wide range of fluences. From a comparison of the experimental results with the temperature profiles of the irradiated samples, it turns out that suicide formation starts when the metal/silicon interface reaches the lowest eutectic temperature of the binary metal/silicon system. The growth rate of reacted layers is of the order of 1 m/s.

Orientation-adjusted anomalous insulator-metal transition in NdNiO3/LaMnO3 bilayers

NASA Astrophysics Data System (ADS)

Pan, S. Y.; Shi, L.; Zhao, J. Y.; Zhou, S. M.; Xu, X. M.

2018-04-01

NdNiO3/LaMnO3 (NNO/LMO) bilayers were epitaxially grown on SrTiO3 (STO) substrates with different orientations by the polymer-assisted deposition technique. A well crystallization quality of the bilayers is confirmed by X-ray diffraction. Two consecutive transitions, an anomalous insulator-metal transition at ˜100 K followed by the typical metal-insulator transition at ˜171 K, are observed in the (001)-oriented NNO/LMO/STO bilayer. The anomalous insulator-metal transition temperature increases to 142 K for the (111)-oriented NNO/LMO/STO bilayer. Meanwhile, the magnetic properties of the NNO/LMO bilayers show an obvious difference with [100] and [111] orientations. Considering the different strain directions and the related oxygen octahedral distortion/rotation, it is suggested that the magnetic changes and the low-temperature anomalous insulator-metal transition in the NNO/LMO bilayers are attributed to the strong interlayer exchange coupling and charge transfer adjusted by the substrate orientation, which can be an effective technique to tune the properties of transition-metal oxide films.

Phase diagram of the ultrafast photoinduced insulator-metal transition in vanadium dioxide

NASA Astrophysics Data System (ADS)

Cocker, T. L.; Titova, L. V.; Fourmaux, S.; Holloway, G.; Bandulet, H.-C.; Brassard, D.; Kieffer, J.-C.; El Khakani, M. A.; Hegmann, F. A.

2012-04-01

We use time-resolved terahertz spectroscopy to probe the ultrafast dynamics of the insulator-metal phase transition induced by femtosecond laser pulses in a nanogranular vanadium dioxide (VO2) film. Based on the observed thresholds for characteristic transient terahertz dynamics, a phase diagram of critical pump fluence versus temperature for the insulator-metal phase transition in VO2 is established for the first time over a broad range of temperatures down to 17 K. We find that both Mott and Peierls mechanisms are present in the insulating state and that the photoinduced transition is nonthermal. We propose a critical-threshold model for the ultrafast photoinduced transition based on a critical density of electrons and a critical density of coherently excited phonons necessary for the structural transition to the metallic state. As a result, evidence is found at low temperatures for an intermediate metallic state wherein the Mott state is melted but the Peierls distortion remains intact, consistent with recent theoretical predictions. Finally, the observed terahertz conductivity dynamics above the photoinduced transition threshold reveal nucleation and growth of metallic nanodomains over picosecond time scales.

Phase-field model of insulator-to-metal transition in VO2 under an electric field

NASA Astrophysics Data System (ADS)

Shi, Yin; Chen, Long-Qing

2018-05-01

The roles of an electric field and electronic doping in insulator-to-metal transitions are still not well understood. Here we formulated a phase-field model of insulator-to-metal transitions by taking into account both structural and electronic instabilities as well as free electrons and holes in VO2, a strongly correlated transition-metal oxide. Our phase-field simulations demonstrate that in a VO2 slab under a uniform electric field, an abrupt universal resistive transition occurs inside the supercooling region, in sharp contrast to the conventional Landau-Zener smooth electric breakdown. We also show that hole doping may decouple the structural and electronic phase transitions in VO2, leading to a metastable metallic monoclinic phase which could be stabilized through a geometrical confinement and the size effect. This work provides a general mesoscale thermodynamic framework for understanding the influences of electric field, electronic doping, and stress and strain on insulator-to-metal transitions and the corresponding mesoscale domain structure evolution in VO2 and related strongly correlated systems.

Visualization of a stable intermediate phase in photoinduced metal-to-insulator transition in manganites

NASA Astrophysics Data System (ADS)

Lin, Hanxuan; Liu, Hao; Bai, Yu; Miao, Tian; Yu, Yang; Zhu, Yinyan; Chen, Hongyan; Kou, Yunfang; Niu, Jiebin; Wang, Wenbin; Yin, Lifeng; Shen, Jian

First order metal-insulator transition, accounting for various intriguing phenomena, is one of the most important phase transitions in condensed matter systems. Aside from the initial and final states, i.e. the metallic and insulating phases, no stable intermediate phase has been experimentally identified in such first order phase transition, though some transient phases do exist at the ultrafast time scale. Here, using our unique low-temperature, high-field magnetic force microscopy with photoexcitation, we directly observed a stable intermediate phase emerging and mediating the photoinduced first order metal-insulator transition in manganites. This phase is characteristic of low net magnetization and high resistivity. Our observations unveil the microscopic details of the photoinduced metal-insulator transition in manganites, which may be insightful to study first order metal-insulator transition in other condensed matter systems. This work was supported by National Key Research Program of China (2016YFA0300702), National Basic Research Program of China (973 Program) under the Grant No. 2013CB932901 and 2014CB921104; National Natural Science Foundation of China (11274071, 11504053).

Petri-net-based 2D design of DNA walker circuits.

PubMed

Gilbert, David; Heiner, Monika; Rohr, Christian

2018-01-01

We consider localised DNA computation, where a DNA strand walks along a binary decision graph to compute a binary function. One of the challenges for the design of reliable walker circuits consists in leakage transitions, which occur when a walker jumps into another branch of the decision graph. We automatically identify leakage transitions, which allows for a detailed qualitative and quantitative assessment of circuit designs, design comparison, and design optimisation. The ability to identify leakage transitions is an important step in the process of optimising DNA circuit layouts where the aim is to minimise the computational error inherent in a circuit while minimising the area of the circuit. Our 2D modelling approach of DNA walker circuits relies on coloured stochastic Petri nets which enable functionality, topology and dimensionality all to be integrated in one two-dimensional model. Our modelling and analysis approach can be easily extended to 3-dimensional walker systems.

Nanotextured phase coexistence in the correlated insulator V2O3

NASA Astrophysics Data System (ADS)

McLeod, Alexander

The Mott insulator-metal transition remains among the most studied phenomena in correlated electron physics. However, the formation of spontaneous spatial patterns amidst coexisting insulating and metallic phases remains poorly explored on the meso- and nanoscales. Here we present real-space evolution of the insulator-metal transition in a thin film of V2O3, the ``canonical'' Mott insulator, imaged at high spatial resolution by cryogenic near-field infrared microscopy. We resolve spontaneously nanotextured coexistence of metal and correlated Mott insulator phases near the insulator-metal transition (T = 160-180 K) associated with percolation and an underlying structural phase transition. Augmented with macroscopic temperature-resolved X-ray diffraction measurements of the same film, a quantitative analysis of nano-infrared images acquired across the transition suggests decoupling of electronic and structural transformations. Persistent low-temperature metallicity is accompanied by unconventional dimensional scaling among metallic ``puddles,'' implicating relevance of a long-range Coulombic interaction through the film's first-order insulator-metal transition. The speaker and co-authors acknowledge support from DOE-DE-SC0012375, DOE-DE-SC0012592, and AFOSR Grant No. FA9550-12-1-0381. The speaker also acknowledges support from a US Dept. of Energy Office of Science Graduate Fellowship (DOE SCGF).

r-Process Nucleosynthesis in the Early Universe Through Fast Mergers of Compact Binaries in Triple Systems

NASA Astrophysics Data System (ADS)

Bonetti, Matteo; Perego, Albino; Capelo, Pedro R.; Dotti, Massimo; Miller, M. Coleman

2018-05-01

Surface abundance observations of halo stars hint at the occurrence of r-process nucleosynthesis at low metallicity ([Fe/H] < -3), possibly within the first 108 yr after the formation of the first stars. Possible loci of early-Universe r-process nucleosynthesis are the ejecta of either black hole-neutron star or neutron star-neutron star binary mergers. Here, we study the effect of the inclination-eccentricity oscillations raised by a tertiary (e.g. a star) on the coalescence time-scale of the inner compact object binaries. Our results are highly sensitive to the assumed initial distribution of the inner binary semi-major axes. Distributions with mostly wide compact object binaries are most affected by the third object, resulting in a strong increase (by more than a factor of 2) in the fraction of fast coalescences. If instead the distribution preferentially populates very close compact binaries, general relativistic precession prevents the third body from increasing the inner binary eccentricity to very high values. In this last case, the fraction of coalescing binaries is increased much less by tertiaries, but the fraction of binaries that would coalesce within 108 yr even without a third object is already high. Our results provide additional support to the compact-binary merger scenario for r-process nucleosynthesis.

Liquid-metal binary cycles for stationary power

NASA Technical Reports Server (NTRS)

Gutstein, M.; Furman, E. R.; Kaplan, G. M.

1975-01-01

The use of topping cycles to increase electric power plant efficiency is discussed, with particular attention to mercury and alkali metal Rankine cycle systems that could be considered for topping cycle applications. An overview of this technology, possible system applications, the required development, and possible problem areas is presented.

Magnetic Inflation and Stellar Mass. I. Revised Parameters for the Component Stars of the Kepler Low-mass Eclipsing Binary T-Cyg1-12664

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, Eunkyu; Muirhead, Philip S.; Swift, Jonathan J.

Several low-mass eclipsing binary stars show larger than expected radii for their measured mass, metallicity, and age. One proposed mechanism for this radius inflation involves inhibited internal convection and starspots caused by strong magnetic fields. One particular eclipsing binary, T-Cyg1-12664, has proven confounding to this scenario. Çakırlı et al. measured a radius for the secondary component that is twice as large as model predictions for stars with the same mass and age, but a primary mass that is consistent with predictions. Iglesias-Marzoa et al. independently measured the radii and masses of the component stars and found that the radius ofmore » the secondary is not in fact inflated with respect to models, but that the primary is, which is consistent with the inhibited convection scenario. However, in their mass determinations, Iglesias-Marzoa et al. lacked independent radial velocity measurements for the secondary component due to the star’s faintness at optical wavelengths. The secondary component is especially interesting, as its purported mass is near the transition from partially convective to a fully convective interior. In this article, we independently determined the masses and radii of the component stars of T-Cyg1-12664 using archival Kepler data and radial velocity measurements of both component stars obtained with IGRINS on the Discovery Channel Telescope and NIRSPEC and HIRES on the Keck Telescopes. We show that neither of the component stars is inflated with respect to models. Our results are broadly consistent with modern stellar evolutionary models for main-sequence M dwarf stars and do not require inhibited convection by magnetic fields to account for the stellar radii.« less

Alternancia entre el estado de emisión de Rayos-X y Pulsar en Sistemas Binarios Interactuantes

NASA Astrophysics Data System (ADS)

De Vito, M. A.; Benvenuto, O. G.; Horvath, J. E.

2015-08-01

Redbacks belong to the family of binary systems in which one of the components is a pulsar. Recent observations show redbacks that have switched their state from pulsar - low mass companion (where the accretion of material over the pulsar has ceased) to low mass X-ray binary system (where emission is produced by the mass accretion on the pulsar), or inversely. The irradiation effect included in our models leads to cyclic mass transfer episodes, which allow close binary systems to switch between one state to other. We apply our results to the case of PSR J1723-2837, and discuss the need to include new ingredients in our code of binary evolution to describe the observed state transitions.

Metal-insulator transitions

NASA Astrophysics Data System (ADS)

Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori

1998-10-01

Metal-insulator transitions are accompanied by huge resistivity changes, even over tens of orders of magnitude, and are widely observed in condensed-matter systems. This article presents the observations and current understanding of the metal-insulator transition with a pedagogical introduction to the subject. Especially important are the transitions driven by correlation effects associated with the electron-electron interaction. The insulating phase caused by the correlation effects is categorized as the Mott Insulator. Near the transition point the metallic state shows fluctuations and orderings in the spin, charge, and orbital degrees of freedom. The properties of these metals are frequently quite different from those of ordinary metals, as measured by transport, optical, and magnetic probes. The review first describes theoretical approaches to the unusual metallic states and to the metal-insulator transition. The Fermi-liquid theory treats the correlations that can be adiabatically connected with the noninteracting picture. Strong-coupling models that do not require Fermi-liquid behavior have also been developed. Much work has also been done on the scaling theory of the transition. A central issue for this review is the evaluation of these approaches in simple theoretical systems such as the Hubbard model and t-J models. Another key issue is strong competition among various orderings as in the interplay of spin and orbital fluctuations. Experimentally, the unusual properties of the metallic state near the insulating transition have been most extensively studied in d-electron systems. In particular, there is revived interest in transition-metal oxides, motivated by the epoch-making findings of high-temperature superconductivity in cuprates and colossal magnetoresistance in manganites. The article reviews the rich phenomena of anomalous metallicity, taking as examples Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Ru compounds. The diverse phenomena include strong spin and orbital fluctuations, mass renormalization effects, incoherence of charge dynamics, and phase transitions under control of key parameters such as band filling, bandwidth, and dimensionality. These parameters are experimentally varied by doping, pressure, chemical composition, and magnetic fields. Much of the observed behavior can be described by the current theory. Open questions and future problems are also extracted from comparison between experimental results and theoretical achievements.

Valence-Bond Concepts in Coordination Chemistry and the Nature of Metal-Metal Bonds.

ERIC Educational Resources Information Center

Pauling, Linus; Herman, Zelek S.

1984-01-01

Discusses the valence-bond method, applying it to some coordination compounds of metals, especially those involving metal-metal bonds. Suggests that transition metals can form as many as nine covalent bonds, permitting valence-theory to be extended to transition metal compounds in a more effective way than has been possible before. (JN)

Spectroscopic studies of transition-metal ions in molten alkali-metal carboxylates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maroni, V.A.; Maciejewski, M.L.

This paper presents the results of electronic absorption and /sup 13/C-NMR measurements on molten alkali metal formates and acetates and on solutions of selected 3d transition metal ions therein. These studies provide a unique opportunity to explore (1) the highly ordered nature of alkali carboxylates, (2) the ligand field properties of acetate and formate ions, and (3) the coordination chemistry of the 3d transition metals in molten carboxylates. 1 figure, 2 tables.

The binarity of Galactic dwarf stars along with effective temperature and metallicity

NASA Astrophysics Data System (ADS)

Gao, Shuang; Zhao, He; Yang, Hang; Gao, Ran

2017-07-01

The fraction of binary stars fb is one of most valuable tools to probe the star formation and evolution of multiple systems in the Galaxy. We focus on the relationship between fb and stellar metallicity [Fe/H] by employing the differential radial velocity (DRV) method and the large sample observed by the Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST). Main-sequence stars from A- to K-type in the third data release of LAMOST are selected to estimate fb. Contributions to a profile of DRV from the radial velocity (RV) error of single stars σRV and the orbital motion of binary stars are evaluated from the DRV profile. We employ 365 911 stars with randomly repeating spectral observations to present a detailed analysis of fb and σRV in the two-dimensional space of Teff and [Fe/H]. The A-type stars are more likely to be companions in binary star systems than other stars. Furthermore, the reverse correlation between fb and [Fe/H] can be shown statistically, which suggests that fb is a joint function of Teff and [Fe/H]. At the same time, σRV of the sample are fitted for different Teff and [Fe/H]. Metal-rich cold stars in our sample have the best RV measurement.

Transition Metal Compounds Towards Holography

PubMed Central

Dieckmann, Volker; Eicke, Sebastian; Springfeld, Kristin; Imlau, Mirco

2012-01-01

We have successfully proposed the application of transition metal compounds in holographic recording media. Such compounds feature an ultra-fast light-induced linkage isomerization of the transition-metal–ligand bond with switching times in the sub-picosecond regime and lifetimes from microseconds up to hours at room temperature. This article highlights the photofunctionality of two of the most promising transition metal compounds and the photophysical mechanisms that are underlying the hologram recording. We present the latest progress with respect to the key measures of holographic media assembled from transition metal compounds, the molecular embedding in a dielectric matrix and their impressive potential for modern holographic applications. PMID:28817028

Ultrafast photo-induced dynamics across the metal-insulator transition of VO2

NASA Astrophysics Data System (ADS)

Wang, Siming; Ramírez, Juan Gabriel; Jeffet, Jonathan; Bar-Ad, Shimshon; Huppert, Dan; Schuller, Ivan K.

2017-04-01

The transient reflectivity of VO2 films across the metal-insulator transition clearly shows that with low-fluence excitation, when insulating domains are dominant, energy transfer from the optically excited electrons to the lattice is not instantaneous, but precedes the superheating-driven expansion of the metallic domains. This implies that the phase transition in the coexistence regime is lattice-, not electronically-driven, at weak laser excitation. The superheated phonons provide the latent heat required for the propagation of the optically-induced phase transition. For VO2 this transition path is significantly different from what has been reported in the strong-excitation regime. We also observe a slow-down of the superheating-driven expansion of the metallic domains around the metal-insulator transition, which is possibly due to the competition among several co-existing phases, or an emergent critical-like behavior.

Effect of binary fraction on color-magnitude diagram of NGC 1904

NASA Astrophysics Data System (ADS)

Li, Zhongmu; Deng, Yangyang

2018-05-01

The age of a southern globular cluster in Milky Way, NGC 1904, was shown to be larger than the typical age of the universe, around 13.7 Gyr, by some photometric studies which assumed all stars as single stars. Besides the uncertainties in photometry, isochrone and fitting technique, the neglect of binary stars possibly distorted the result. We study the effect of binary fraction on the color-magnitude diagram (CMD) of NGC 1904, via a new tool for CMD studies, Powerful CMD, which can determine binary fraction, age, metallicity, distance modulus, color excess, rotating star fraction and star formation history simultaneously. We finally obtain the youngest age of 14.1±2.1 Gyr with a zero-age binary fraction of 60 percent for cluster NGC 1904. The result is consistent with the age of the universe. Although our result suggests that binary fraction affects the determination of age slightly, it can improve the fitting to observed CMD, in particular blue stragglers. This suggests us to consider the effect of binaries in the studies of star clusters.

Metal–insulator transition in a transition metal dichalcogenide: Dependence on metal contacts

NASA Astrophysics Data System (ADS)

Shimazu, Y.; Arai, K.; Iwabuchi, T.

2018-03-01

Transition metal dichalcogenides are promising layered materials for realizing novel nanoelectronic and nano-optoelectronic devices. Molybdenum disulfide (MoS2), a typical transition metal dichalcogenide, has been extensively investigated due to the presence of a sizable band gap, which enables the use of MoS2 as a channel material in field-effect transistors (FET). The gate-voltage-tunable metal–insulator transition and superconductivity using MoS2 have been demonstrated in previous studies. These interesting phenomena can be considered as quantum phase transitions in two-dimensional systems. In this study, we observed that the transport properties of thin MoS2 flakes in FET geometry significantly depend on metal contacts. On comparing Ti/Au with Al contacts, it was found that the threshold voltages for FET switching and metal–insulator transition were considerably lower for the device with Al contacts. This result indicated the significant influence of the Al contacts on the properties of MoS2 devices.

Variational first hyperpolarizabilities of 2,3-naphtho-15-crown-5 ether derivatives with cation-complexing: a potential and selective cation detector.

PubMed

Yu, Hai-Ling; Wang, Wen-Yong; Hong, Bo; Zong, Ying; Si, Yan-Ling; Hu, Zhong-Qiang

2016-09-29

Crown ethers, as a kind of heterocycle, have been the subject of great interest over recent decades due to their selective capability to bind to metal cations. The use of a constant crown ether, such as naphtho-15-crown-5 (N15C5), and varied metal cations (Li + , Na + , K + , Be 2+ , Mg 2+ , Ca 2+ , Co 2+ , Ni 2+ , Cu 2+ ) makes it possible to determine the contributions of the metal cations to nonlinear optical (NLO) responses and to design an appropriate NLO-based cation detector. N15C5 and its metal cation derivatives have been systematically investigated by density functional theory. It is found that the dependency of the first hyperpolarizability relies on the metal cation, especially for transition metals. The decrease of the first hyperpolarizabilities for alkali metal cation derivatives is due to their relatively low oscillator strengths, whereas the significant increase of the first hyperpolarizabilities for transition metal cation derivatives can be further illustrated by their low transition energies, large amplitudes and separate distributions of first hyperpolarizability density. Thus, the alkali metal and transition metal cations are distinguishable and the transition metal cations are easier to detect by utilizing the variations in NLO responses.

How I Learned to Stop Worrying and Love Eclipsing Binaries

NASA Astrophysics Data System (ADS)

Moe, Maxwell Cassady

Relatively massive B-type stars with closely orbiting stellar companions can evolve to produce Type Ia supernovae, X-ray binaries, millisecond pulsars, mergers of neutron stars, gamma ray bursts, and sources of gravitational waves. However, the formation mechanism, intrinsic frequency, and evolutionary processes of B-type binaries are poorly understood. As of 2012, the binary statistics of massive stars had not been measured at low metallicities, extreme mass ratios, or intermediate orbital periods. This thesis utilizes large data sets of eclipsing binaries to measure the physical properties of B-type binaries in these previously unexplored portions of the parameter space. The updated binary statistics provide invaluable insight into the formation of massive stars and binaries as well as reliable initial conditions for population synthesis studies of binary star evolution. We first compare the properties of B-type eclipsing binaries in our Milky Way Galaxy and the nearby Magellanic Cloud Galaxies. We model the eclipsing binary light curves and perform detailed Monte Carlo simulations to recover the intrinsic properties and distributions of the close binary population. We find the frequency, period distribution, and mass-ratio distribution of close B-type binaries do not significantly depend on metallicity or environment. These results indicate the formation of massive binaries are relatively insensitive to their chemical abundances or immediate surroundings. Second, we search for low-mass eclipsing companions to massive B-type stars in the Large Magellanic Cloud Galaxy. In addition to finding such extreme mass-ratio binaries, we serendipitously discover a new class of eclipsing binaries. Each system comprises a massive B-type star that is fully formed and a nascent low-mass companion that is still contracting toward its normal phase of evolution. The large low-mass secondaries discernibly reflect much of the light they intercept from the hot B-type stars, thereby producing sinusoidal variations in perceived brightness as they orbit. These nascent eclipsing binaries are embedded in the hearts of star-forming emission nebulae, and therefore provide a unique snapshot into the formation and evolution of massive binaries and stellar nurseries. We next examine a large sample of B-type eclipsing binaries with intermediate orbital periods. To achieve such a task, we develop an automated pipeline to classify the eclipsing binaries, measure their physical properties from the observed light curves, and recover the intrinsic binary statistics by correcting for selection effects. We find the population of massive binaries at intermediate separations differ from those orbiting in close proximity. Close massive binaries favor small eccentricities and have correlated component masses, demonstrating they coevolved via competitive accretion during their formation in the circumbinary disk. Meanwhile, B-type binaries at slightly wider separations are born with large eccentricities and are weighted toward extreme mass ratios, indicating the components formed relatively independently and subsequently evolved to their current configurations via dynamical interactions. By using eclipsing binaries as accurate age indicators, we also reveal that the binary orbital eccentricities and the line-of-sight dust extinctions are anticorrelated with respect to time. These empirical relations provide robust constraints for tidal evolution in massive binaries and the evolution of the dust content in their surrounding environments. Finally, we compile observations of early-type binaries identified via spectroscopy, eclipses, long-baseline interferometry, adaptive optics, lucky imaging, high-contrast photometry, and common proper motion. We combine the samples from the various surveys and correct for their respective selection effects to determine a comprehensive nature of the intrinsic binary statistics of massive stars. We find the probability distributions of primary mass, secondary mass, orbital period, and orbital eccentricity are all interrelated. These updated multiplicity statistics imply a greater frequency of low-mass X-ray binaries, millisecond pulsars, and Type Ia supernovae than previously predicted.

Enhanced photochemical hydrogen evolution from Fe4S4-based biomimetic chalcogels containing M2+ (M = Pt, Zn, Co, Ni, Sn) centers.

PubMed

Shim, Yurina; Young, Ryan M; Douvalis, Alexios P; Dyar, Scott M; Yuhas, Benjamin D; Bakas, Thomas; Wasielewski, Michael R; Kanatzidis, Mercouri G

2014-09-24

Naturally abundant enzymes often feature active sites comprising transition metal cluster units that catalyze chemical processes and reduce small molecules as well as protons. We introduce a family of new chalcogenide aerogels (chalcogels), aiming to model the function of active sites and the structural features of a larger protective framework. New metal incorporated iron sulfur tin sulfide chalcogels referred to as ternary chalcogels and specifically the chalcogels M-ITS-cg3, fully integrate biological redox-active Fe4S4 clusters into a semiconducting porous framework by bridging them with Sn4S10 linking units. In the M-ITS-cg3 system we can tailor the electro- and photocatalytic properties of chalcogels through the control of spatial distance of redox-active Fe4S4 centers using additional linking metal ions, M(2+) (Pt, Zn, Co, Ni, Sn). The presence of a third metal does not change the structural properties of the biomimetic chalcogels but modifies and even enhances their functional performance. M-ITS-cg3s exhibit electrocatalytic activity in proton reduction that arises from the Fe4S4 clusters but is tuned inductively by M(2+). The metal ions alter the reduction potential of Fe4S4 in a favorable manner for photochemical hydrogen production. The Pt incorporated ITS-cg3 shows the greatest improvement in the overall hydrogen yield compared to the binary ITS-cg3. The ability to manipulate the properties of biomimetic chalcogels through synthetic control of the composition, while retaining both structural and functional properties, illustrates the chalcogels' flexibility and potential in carrying out useful electrochemical and photochemical reactions.

Temperature dependent structural and dynamical properties of liquid Cu80Si20 binary alloy

NASA Astrophysics Data System (ADS)

Suthar, P. H.; Shah, A. K.; Gajjar, P. N.

2018-05-01

Ashcroft and Langreth binary structure factor have been used to study for pair correlation function and the study of dynamical variable: velocity auto correlation functions, power spectrum and mean square displacement calculated based on the static harmonic well approximation in liquid Cu80Si20 binary alloy at wide temperature range (1140K, 1175K, 1210K, 1250K, 1373K, 1473K.). The effective interaction for the binary alloy is computed by our well established local pseudopotential along with the exchange and correction functions Sarkar et al(S). The negative dip in velocity auto correlation decreases as the various temperature is increases. For power spectrum as temperature increases, the peak of power spectrum shifts toward lower ω. Good agreement with the experiment is observed for the pair correlation functions. Velocity auto correlation showing the transferability of the local pseudopotential used for metallic liquid environment in the case of copper based binary alloys.

Low platinum catalyst and method of preparation

DOEpatents

Liu, Di-Jia; Chong, Lina

2017-11-21

A low platinum catalyst and method for making same. The catalyst comprises platinum-transition metal bimetallic alloy microcrystallites over a transition metal-nitrogen-carbon composite. A method of making a catalyst comprises preparation of transition metal organic frameworks, infusion of platinum, thermal treatment, and reduction to form the microcrystallites and composite.

Liquid phase low temperature method for production of methanol from synthesis gas and catalyst formulations therefor

DOEpatents

Mahajan, Devinder

2005-07-26

The invention provides a homogenous catalyst for the production of methanol from purified synthesis gas at low temperature and low pressure which includes a transition metal capable of forming transition metal complexes with coordinating ligands and an alkoxide, the catalyst dissolved in a methanol solvent system, provided the transition metal complex is not transition metal carbonyl. The coordinating ligands can be selected from the group consisting of N-donor ligands, P-donor ligands, O-donor ligands, C-donor ligands, halogens and mixtures thereof.

General simulation algorithm for autocorrelated binary processes.

PubMed

Serinaldi, Francesco; Lombardo, Federico

2017-02-01

The apparent ubiquity of binary random processes in physics and many other fields has attracted considerable attention from the modeling community. However, generation of binary sequences with prescribed autocorrelation is a challenging task owing to the discrete nature of the marginal distributions, which makes the application of classical spectral techniques problematic. We show that such methods can effectively be used if we focus on the parent continuous process of beta distributed transition probabilities rather than on the target binary process. This change of paradigm results in a simulation procedure effectively embedding a spectrum-based iterative amplitude-adjusted Fourier transform method devised for continuous processes. The proposed algorithm is fully general, requires minimal assumptions, and can easily simulate binary signals with power-law and exponentially decaying autocorrelation functions corresponding, for instance, to Hurst-Kolmogorov and Markov processes. An application to rainfall intermittency shows that the proposed algorithm can also simulate surrogate data preserving the empirical autocorrelation.

Atomistic modeling of metallic thin films by modified embedded atom method

NASA Astrophysics Data System (ADS)

Hao, Huali; Lau, Denvid

2017-11-01

Molecular dynamics simulation is applied to investigate the deposition process of metallic thin films. Eight metals, titanium, vanadium, iron, cobalt, nickel, copper, tungsten, and gold, are chosen to be deposited on the aluminum substrate. The second nearest-neighbor modified embedded atom method potential is adopted to predict their thermal and mechanical properties. When quantifying the screening parameters of the potential, the error for Young's modulus and coefficient of thermal expansion between the simulated results and the experimental measurements is less than 15%, demonstrating the reliability of the potential to predict metallic behaviors related to thermal and mechanical properties. A set of potential parameters which governs the interactions between aluminum and other metals in a binary system is also generated from ab initio calculation. The details of interfacial structures between the chosen films and substrate are successfully simulated with the help of these parameters. Our results indicate that the preferred orientation of film growth depends on the film crystal structure, and the inter-diffusion at the interface is correlated the cohesive energy parameter of potential for the binary system. Such finding provides an important basis to further understand the interfacial science, which contributes to the improvement of the mechanical properties, reliability and durability of films.

Fabrication Of Metal Chloride Cathodes By Sintering

NASA Technical Reports Server (NTRS)

Bugga, Ratnakumar V.; Di Stefano, Salvador; Bankston, C. Perry

1992-01-01

Transition-metal chloride cathodes for use in high-temperature rechargeable sodium batteries prepared by sintering transition-metal powders mixed with sodium chloride. Need for difficult and dangerous chlorination process eliminated. Proportions of transition metal and sodium chloride in mixture adjusted to suit specific requirements. Cathodes integral to sodium/metal-chloride batteries, which have advantages over sodium/sulfur batteries including energy densities, increased safety, reduced material and thermal-management problems, and ease of operation and assembly. Being evaluated for supplying electrical power during peak demand and electric vehicles.

Atomic solid state energy scale: Universality and periodic trends in oxidation state

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pelatt, Brian D.; Kokenyesi, Robert S.; Ravichandran, Ram

2015-11-15

The atomic solid state energy (SSE) scale originates from a plot of the electron affinity (EA) and ionization potential (IP) versus band gap (E{sub G}). SSE is estimated for a given atom by assessing an average EA (for a cation) or an average IP (for an anion) for binary inorganic compounds having that specific atom as a constituent. Physically, SSE is an experimentally-derived average frontier orbital energy referenced to the vacuum level. In its original formulation, 69 binary closed-shell inorganic semiconductors and insulators were employed as a database, providing SSE estimates for 40 elements. In this contribution, EA and IPmore » versus E{sub G} are plotted for an additional 92 compounds, thus yielding SSE estimates for a total of 64 elements from the s-, p-, d-, and f-blocks of the periodic table. Additionally, SSE is refined to account for its dependence on oxidation state. Although most cations within the SSE database are found to occur in a single oxidation state, data are available for nine d-block transition metals and one p-block main group metal in more than one oxidation state. SSE is deeper in energy for a higher cation oxidation state. Two p-block main group non-metals within the SSE database are found to exist in both positive and negative oxidation states so that they can function as a cation or anion. SSEs for most cations are positioned above −4.5 eV with respect to the vacuum level, and SSEs for all anions are positioned below. Hence, the energy −4.5 eV, equal to the hydrogen donor/acceptor ionization energy ε(+/−) or equivalently the standard hydrogen electrode energy, is considered to be an absolute energy reference for chemical bonding in the solid state. - Highlights: • Atomic solid-state energies are estimated for 64 elements from experimental data. • The relationship between atomic SSEs and oxidation state is assessed. • Cations are positioned above and absolute energy of −4.5 eV and anions below.« less

Fragility, network adaptation, rigidity- and stress- transitions in homogenized binary GexS100-x glasses

NASA Astrophysics Data System (ADS)

Chakraborty, Shibalik; Boolchand, Punit

2014-03-01

Binary GexS100-x glasses reveal elastic and chemical phase transitions driven by network topology. With increasing Ge content x, well defined rigidity (xc(1) =19.3%) and stress(xc(2) =24.85%) transitions and associated optical elasticity power-laws are observed in Raman scattering. Calorimetric measurements reveal a square-well like minimum with window walls that coincide with the two elastic phase transitions. Molar volumes show a trapezoidal-like minimum with edges that nearly coincide with the reversibility window. These results are signatures of the isostatically rigid nature of the elastic phase formed between the rigidity and stress transitions. Complex Cp measurements show melt fragility index, m(x) to also show a global minimum in the reversibility window, underscoring that melt dynamics encode the elastic behavior of the glass formed at Tg. The strong nature of melts formed in the IP has an important practical consequence; they lead to slow homogenization of non-stoichiometric batch compositions reacted at high temperatures. Homogenization of chalcogenides melts/glasses over a scale of a few microns is a pre-requisite to observe the intrinsic physical properties of these materials. Supported by NSF Grant DMR 0853957.

Finite-connectivity spin-glass phase diagrams and low-density parity check codes.

PubMed

Migliorini, Gabriele; Saad, David

2006-02-01

We obtain phase diagrams of regular and irregular finite-connectivity spin glasses. Contact is first established between properties of the phase diagram and the performance of low-density parity check (LDPC) codes within the replica symmetric (RS) ansatz. We then study the location of the dynamical and critical transition points of these systems within the one step replica symmetry breaking theory (RSB), extending similar calculations that have been performed in the past for the Bethe spin-glass problem. We observe that the location of the dynamical transition line does change within the RSB theory, in comparison with the results obtained in the RS case. For LDPC decoding of messages transmitted over the binary erasure channel we find, at zero temperature and rate , an RS critical transition point at while the critical RSB transition point is located at , to be compared with the corresponding Shannon bound . For the binary symmetric channel we show that the low temperature reentrant behavior of the dynamical transition line, observed within the RS ansatz, changes its location when the RSB ansatz is employed; the dynamical transition point occurs at higher values of the channel noise. Possible practical implications to improve the performance of the state-of-the-art error correcting codes are discussed.

A Wide-field Survey for Transiting Hot Jupiters and Eclipsing Pre-main-sequence Binaries in Young Stellar Associations

NASA Astrophysics Data System (ADS)

Oelkers, Ryan J.; Macri, Lucas M.; Marshall, Jennifer L.; DePoy, Darren L.; Lambas, Diego G.; Colazo, Carlos; Stringer, Katelyn

2016-09-01

The past two decades have seen a significant advancement in the detection, classification, and understanding of exoplanets and binaries. This is due, in large part, to the increase in use of small-aperture telescopes (<20 cm) to survey large areas of the sky to milli-mag precision with rapid cadence. The vast majority of the planetary and binary systems studied to date consists of main-sequence or evolved objects, leading to a dearth of knowledge of properties at early times (<50 Myr). Only a dozen binaries and one candidate transiting Hot Jupiter are known among pre-main-sequence objects, yet these are the systems that can provide the best constraints on stellar formation and planetary migration models. The deficiency in the number of well characterized systems is driven by the inherent and aperiodic variability found in pre-main-sequence objects, which can mask and mimic eclipse signals. Hence, a dramatic increase in the number of young systems with high-quality observations is highly desirable to guide further theoretical developments. We have recently completed a photometric survey of three nearby (<150 pc) and young (<50 Myr) moving groups with a small-aperture telescope. While our survey reached the requisite photometric precision, the temporal coverage was insufficient to detect Hot Jupiters. Nevertheless, we discovered 346 pre-main-sequence binary candidates, including 74 high-priority objects for further study. This paper includes data taken at The McDonald Observatory of The University of Texas at Austin.

V474 Car: A RARE HALO RS CVn BINARY IN RETROGRADE GALACTIC ORBIT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bubar, Eric J.; Mamajek, Eric E.; Jensen, Eric L. N.

We report the discovery that the star V474 Car is an extremely active, high velocity halo RS CVn system. The star was originally identified as a possible pre-main-sequence star in Carina, given its enhanced stellar activity, rapid rotation (10.3 days), enhanced Li, and absolute magnitude which places it above the main sequence (MS). However, its extreme radial velocity (264 km s{sup -1}) suggested that this system was unlike any previously known pre-MS system. Our detailed spectroscopic analysis of echelle spectra taken with the CTIO 4 m finds that V474 Car is both a spectroscopic binary with an orbital period similarmore » to the photometric rotation period and metal-poor ([Fe/H] {approx_equal}-0.99). The star's Galactic orbit is extremely eccentric (e {approx_equal} 0.93) with a perigalacticon of only {approx}0.3 kpc of the Galactic center-and the eccentricity and smallness of its perigalacticon are surpassed by only {approx}0.05% of local F/G-type field stars. The observed characteristics are consistent with V474 Car being a high-velocity, metal-poor, tidally locked, chromospherically active binary, i.e., a halo RS CVn binary, and one of only a few such specimens known.« less

Mass fractionation processes of transition metal isotopes

NASA Astrophysics Data System (ADS)

Zhu, X. K.; Guo, Y.; Williams, R. J. P.; O'Nions, R. K.; Matthews, A.; Belshaw, N. S.; Canters, G. W.; de Waal, E. C.; Weser, U.; Burgess, B. K.; Salvato, B.

2002-06-01

Recent advances in mass spectrometry make it possible to utilise isotope variations of transition metals to address some important issues in solar system and biological sciences. Realisation of the potential offered by these new isotope systems however requires an adequate understanding of the factors controlling their isotope fractionation. Here we show the results of a broadly based study on copper and iron isotope fractionation during various inorganic and biological processes. These results demonstrate that: (1) naturally occurring inorganic processes can fractionate Fe isotope to a detectable level even at temperature ˜1000°C, which challenges the previous view that Fe isotope variations in natural system are unique biosignatures; (2) multiple-step equilibrium processes at low temperatures may cause large mass fractionation of transition metal isotopes even when the fractionation per single step is small; (3) oxidation-reduction is an importation controlling factor of isotope fractionation of transition metal elements with multiple valences, which opens a wide range of applications of these new isotope systems, ranging from metal-silicate fractionation in the solar system to uptake pathways of these elements in biological systems; (4) organisms incorporate lighter isotopes of transition metals preferentially, and transition metal isotope fractionation occurs stepwise along their pathways within biological systems during their uptake.

Theory of quantum metal to superconductor transitions in highly conducting systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spivak, B.

2010-04-06

We derive the theory of the quantum (zero temperature) superconductor to metal transition in disordered materials when the resistance of the normal metal near criticality is small compared to the quantum of resistivity. This can occur most readily in situations in which 'Anderson's theorem' does not apply. We explicitly study the transition in superconductor-metal composites, in an swave superconducting film in the presence of a magnetic field, and in a low temperature disordered d-wave superconductor. Near the point of the transition, the distribution of the superconducting order parameter is highly inhomogeneous. To describe this situation we employ a procedure whichmore » is similar to that introduced by Mott for description of the temperature dependence of the variable range hopping conduction. As the system approaches the point of the transition from the metal to the superconductor, the conductivity of the system diverges, and the Wiedemann-Franz law is violated. In the case of d-wave (or other exotic) superconductors we predict the existence of (at least) two sequential transitions as a function of increasing disorder: a d-wave to s-wave, and then an s-wave to metal transition.« less

Ground-based detectability of terrestrial and Jovian extrasolar planets: observations of CM Draconis at Lick Observatory.

PubMed

Doyle, L R; Dunham, E T; Deeg, H J; Blue, J E; Jenkins, J M

1996-06-25

The detection of terrestrial-sized extrasolar planets from the ground has been thought to be virtually impossible due to atmospheric scintillation limits. However, we show that this is not the case especially selected (but nevertheless main sequence) stars, namely small eclipsing binaries. For the smallest of these systems, CM Draconis, several months to a few years of photometric observations with 1-m-class telescopes will be sufficient to detect the transits of any short-period planets of sizes > or = 1.5 Earth radii (RE), using cross-correlation analysis with moderately good photometry. Somewhat larger telescopes will be needed to extend this detectability to terrestrial planets in larger eclipsing binary systems. (We arbitrarily define "terrestrial planets" herein as those whose disc areas are closer to that of Earth's than Neptune's i.e., less than about 2.78 RE.) As a "spin-off" of such observations, we will also be able to detect the presence of Jovian-mass planets without transits using the timing of the eclipse minima. Eclipse minima will drift in time as the binary system is offset by a sufficiently massive planet (i.e., one Jupiter mass) about the binary/giant-planet barycenter, causing a periodic variation in the light travel time to the observer. We present here an outline of present observations taking place at the University of California Lick Observatory using the Crossley 0.9-m telescope in collaboration with other observatories (in South Korea, Crete, France, Canary Islands, and New York) to detect or constrain the existence of terrestrial planets around main sequence eclipsing binary star systems, starting with CM Draconis. We demonstrate the applicability of photometric data to the general detection of gas giant planets via eclipse minima timings in many other small-mass eclipsing binary systems as well.

Ground-based detectability of terrestrial and Jovian extrasolar planets: observations of CM Draconis at Lick Observatory

NASA Technical Reports Server (NTRS)

Doyle, L. R.; Dunham, E. T.; Deeg, H. J.; Blue, J. E.; Jenkins, J. M.

1996-01-01

The detection of terrestrial-sized extrasolar planets from the ground has been thought to be virtually impossible due to atmospheric scintillation limits. However, we show that this is not the case especially selected (but nevertheless main sequence) stars, namely small eclipsing binaries. For the smallest of these systems, CM Draconis, several months to a few years of photometric observations with 1-m-class telescopes will be sufficient to detect the transits of any short-period planets of sizes > or = 1.5 Earth radii (RE), using cross-correlation analysis with moderately good photometry. Somewhat larger telescopes will be needed to extend this detectability to terrestrial planets in larger eclipsing binary systems. (We arbitrarily define "terrestrial planets" herein as those whose disc areas are closer to that of Earth's than Neptune's i.e., less than about 2.78 RE.) As a "spin-off" of such observations, we will also be able to detect the presence of Jovian-mass planets without transits using the timing of the eclipse minima. Eclipse minima will drift in time as the binary system is offset by a sufficiently massive planet (i.e., one Jupiter mass) about the binary/giant-planet barycenter, causing a periodic variation in the light travel time to the observer. We present here an outline of present observations taking place at the University of California Lick Observatory using the Crossley 0.9-m telescope in collaboration with other observatories (in South Korea, Crete, France, Canary Islands, and New York) to detect or constrain the existence of terrestrial planets around main sequence eclipsing binary star systems, starting with CM Draconis. We demonstrate the applicability of photometric data to the general detection of gas giant planets via eclipse minima timings in many other small-mass eclipsing binary systems as well.

General Properties of Surface Modes in Binary Metal-Dielectric Metamaterials

DTIC Science & Technology

2010-11-22

metamaterials,” Opt. Lett. 35(11), 1847–1849 (2010). 10. Y. Liu, G. Bartal, D. A. Genov, and X. Zhang, “Subwavelength discrete solitons in nonlinear...dielectric metamaterials and the corresponding dispersion curves for the unit cell parameters (a) metal (Au, 20nm, dark grey) and dielectric (n = 1.5

Transmission spectroscopy of the hot Jupiter WASP-12b from 0.7 to 5 μm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stevenson, Kevin B.; Bean, Jacob L.; Seifahrt, Andreas

2014-06-01

Since the first report of a potentially non-solar carbon-to-oxygen ratio (C/O) in its dayside atmosphere, the highly irradiated exoplanet WASP-12b has been under intense scrutiny and the subject of many follow-up observations. Additionally, the recent discovery of stellar binary companions ∼1'' from WASP-12 has obfuscated interpretation of the observational data. Here we present new ground-based multi-object transmission-spectroscopy observations of WASP-12b that we acquired over two consecutive nights in the red optical with Gemini-N/GMOS. After correcting for the influence of WASP-12's stellar companions, we find that these data rule out a cloud-free H{sub 2} atmosphere with no additional opacity sources. Wemore » detect features in the transmission spectrum that may be attributed to metal oxides (such as TiO and VO) for an O-rich atmosphere or to metal hydrides (such as TiH) for a C-rich atmosphere. We also reanalyzed NIR transit-spectroscopy observations of WASP-12b from HST/WFC3 and broadband transit photometry from Warm Spitzer. We attribute the broad spectral features in the WFC3 data to either H{sub 2}O or CH{sub 4} and HCN for an O-rich or C-rich atmosphere, respectively. The Spitzer data suggest shallower transit depths than the models predict at infrared wavelengths, albeit at low statistical significance. A multi-instrument, broad-wavelength analysis of WASP-12b suggests that the transmission spectrum is well approximated by a simple Rayleigh scattering model with a planet terminator temperature of 1870 ± 130 K. We conclude that additional high-precision data and isolated spectroscopic measurements of the companion stars are required to place definitive constraints on the composition of WASP-12b's atmosphere.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mattox, Tracy M.; Koo, Bonil; Garcia, Guillermo

An electrochromic device includes a nanostructured transition metal oxide bronze layer that includes one or more transition metal oxide and one or more dopant, a solid state electrolyte, and a counter electrode. The nanostructured transition metal oxide bronze selectively modulates transmittance of near-infrared (NIR) spectrum and visible spectrum radiation as a function of an applied voltage to the device.

Trends in Ionization Energy of Transition-Metal Elements

ERIC Educational Resources Information Center

Matsumoto, Paul S.

2005-01-01

A rationale for the difference in the periodic trends in the ionization energy of the transition-metal elements versus the main-group elements is presented. The difference is that in the transition-metal elements, the electrons enter an inner-shell electron orbital, while in the main-group elements, the electrons enter an outer-shell electron…

Production of battery grade materials via an oxalate method

DOEpatents

Belharouak, Ilias; Amine, Khalil

2016-05-17

An active electrode material for electrochemical devices such as lithium ion batteries includes a lithium transition metal oxide which is free of sodium and sulfur contaminants. The lithium transition metal oxide is prepared by calcining a mixture of a lithium precursor and a transition metal oxalate. Electrochemical devices use such active electrodes.

Production of battery grade materials via an oxalate method

DOEpatents

Belharouak, Ilias; Amine, Khalil

2014-04-29

An active electrode material for electrochemical devices such as lithium ion batteries includes a lithium transition metal oxide which is free of sodium and sulfur contaminants. The lithium transition metal oxide is prepared by calcining a mixture of a lithium precursor and a transition metal oxalate. Electrochemical devices use such active electrodes.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gogotsi, Yury

The unique properties of 2D materials, such as graphene or transition metal dichalcogenides, have been attracting much attention in the past decade. Now, metallically conductive and even superconducting transition metal carbides are entering the game.

Role of thermal heating on the voltage induced insulator-metal transition in VO2.

PubMed

Zimmers, A; Aigouy, L; Mortier, M; Sharoni, A; Wang, Siming; West, K G; Ramirez, J G; Schuller, Ivan K

2013-02-01

We show that the main mechanism for the dc voltage or dc current induced insulator-metal transition in vanadium dioxide VO(2) is due to local Joule heating and not a purely electronic effect. This "tour de force" experiment was accomplished by using the fluorescence spectra of rare-earth doped micron sized particles as local temperature sensors. As the insulator-metal transition is induced by a dc voltage or dc current, the local temperature reaches the transition temperature indicating that Joule heating plays a predominant role. This has critical implications for the understanding of the dc voltage or dc current induced insulator-metal transition and has a direct impact on applications which use dc voltage or dc current to externally drive the transition.

One Hundred Thousand Eyes: Analysis of Kepler Archival Data

NASA Astrophysics Data System (ADS)

Fischer, Debra

We are using a powerful resource, more than 100,000 eyes of users on the successful Planet Hunters Web project, who will identify the best follow-up science targets for this ADAP proposal among the Kepler public archive light curves. Planet Hunters is a Citizen Science program with a user base of more than 50,000 individuals who have already contributed the 24/7 cumulative equivalent of 200 human years assessing Kepler data. They independently identified most of the Kepler candidates with radii greater than 3-4 REARTH and they detected ten transiting planet candidates that were missed by the Kepler pipeline algorithms, including two circumbinary transiting planet candidates. These detections have provided important feedback for the Kepler algorithms about possible leaks where candidates might be lost. Our scientific follow up program will use Planet Hunter classifications of archival data from the Kepler Mission to: "Detect and model new transiting planets: for radii greater than 3 4 REARTH and orbital periods longer than one year, the Planet Hunters should be quite competitive with automated pipelines that require at least 3 transits for a detection and fill in the parameter space for Neptune-size planets over a wide range of orbital periods. For stars where a single transit can be modeled as a long period planet, we will establish a watch list for future transits. We will carry out checks for false positives (pixel centroiding analysis, AO observations, Doppler measurements where appropriate). "Analyze the completeness statistics for Kepler transits and independently determine a corrected planet occurrence rate as a function of planet radius and orbital period. This will be done by injecting synthetic transits into real Kepler light curves and calculating the efficiency with which the transits are detected by Planet Hunters. "Model the full spectroscopic and photometric orbital solutions for a set of ~60 detached eclipsing binary systems with low mass K and M dwarf components- quadrupling the number of fully characterized eclipsing systems with low-mass stars. We will revise the spectral synthesis modeling code, SME, to handle double line spectroscopic binaries (including velocity offets and relative intensity as free parameters). Our data, coupled with the sparse data currently available on late-type stellar radii, will allow us to explore the long-standing discrepancy between theory and observation in the sense that directly determined radii exceed theory predictions by ~10%. As such, host star radii are often the limiting factor in extracting the planetary radii from Kepler transiting systems since model approaches appear currently flawed. Thus, an empirical calibration to radius relationships for low-mass stars will be fundamentally enabling for the Kepler mission. "Carry out a search for transiting circumbinary planets; Planet Hunters has already detected two of four known eclipsing binary systems with transiting planets. "Develop a guest scientist program so that the larger community can tap into Planet Hunters with special programs. "Further develop our in-house software analysis tools for modeling light curves, analyzing pixel centroid offsets and measuring Doppler shifts in eclipsing binaries; we will make these programs available in the public domain (Astrophysics Source Code Library).

Viscosity measurements of metallic melts using the oscillating drop technique

NASA Astrophysics Data System (ADS)

Heintzmann, P.; Yang, F.; Schneider, S.; Lohöfer, G.; Meyer, A.

2016-06-01

By means of benchmarking reduced gravity experiments, we have verified the measured viscosity of binary Zr-Ni glass forming liquids utilizing the oscillating drop technique combined with ground-based electrostatic levitation (ESL). Reliable viscosity data can be obtained as long as internal viscous damping of a single oscillation mode of a levitated drop dominates external perturbations. This can be verified by the absence of a sample mass dependence of the results. Hence, ESL is an excellent tool for studying the viscosity of metallic glass forming melts in the range of about 10-250 mPa s, with sample masses below 100 mg. To this end, we show that, for binary Zr-Ni melts, the viscosity is qualitatively controlled by the packing density.

Binary rare earth element-Ni/Co metallic glasses with distinct β-relaxation behaviors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Z. G.; Wang, Z.; Wang, W. H., E-mail: whw@iphy.ac.cn

2015-10-21

We report the formation of a series of rare earth element (RE)-Ni/Co binary metallic glasses (MGs) with unusual distinct β-relaxation peak compared with that of most of the reported MGs which usually exhibit as an excess wing or a shoulder. The β-relaxation behavior of RE-Ni/Co MGs is sensitive to the composition and the atomic radii of the RE and can be tuned through changing the fraction of RE-Ni (or Co) atomic pairs. The novel RE-Ni/Co MGs with distinct β-relaxation can serve as model system to investigate the nature of the β-relaxation as well as its relations with other physical andmore » mechanical properties of MGs.« less

The RS CVn Binary HD 155555: A Comparative Study of the Atmospheres for the Two Component Stars

NASA Technical Reports Server (NTRS)

Airapetian, V. S.; Dempsey, R. C.

1997-01-01

We present GHRS/HST observations of the RS CVn binary system HD 155555. Several key UV emission lines (Fe XXI, Si IV, O V, C IV) have been analyzed to provide information about the heating rate throughout the atmosphere from the chromosphere to the corona. We show that both the G and K components reveal features of a chromosphere, transition region and corona. The emission measure distribution as a function of temperature for both components is derived and compared with the RS Cvn system, HR 1099, and the Sun. The transition region and coronal lines of both stars show nonthermal broadenings of approx. 20-30 km/s. Possible physical implications for coronal heating mechanisms are discussed.

Activation of methane by transition metal-substituted aluminophosphate molecular sieves

DOEpatents

Iton, Lennox E.; Maroni, Victor A.

1991-01-01

Aluminophosphate molecular sieves substituted with cobalt, manganese or iron and having the AlPO.sub.4 -34 or AlPO.sub.4 -5, or related AlPO.sub.4 structure activate methane starting at approximately 350.degree. C. Between 400.degree. and 500.degree. C. and at methane pressures .ltoreq.1 atmosphere the rate of methane conversion increases steadily with typical conversion efficiencies at 500.degree. C. approaching 50% and selectivity to the production of C.sub.2+ hydrocarbons approaching 100%. The activation mechanism is based on reduction of the transition metal(III) form of the molecular sieve to the transition metal(II) form with accompanying oxidative dehydrogenation of the methane. Reoxidation of the - transition metal(II) form to the transition metal(III) form can be done either chemically (e.g., using O.sub.2) or electrochemically.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

Near-infrared metallicities, radial velocities, and spectral types for 447 nearby M dwarfs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Newton, Elisabeth R.; Charbonneau, David; Irwin, Jonathan

We present metallicities, radial velocities, and near-infrared (NIR) spectral types for 447 M dwarfs determined from moderate resolution (R ≈ 2000) NIR spectra obtained with the NASA Infrared Telescope Facility (IRTF)/SpeX. These M dwarfs are primarily targets of the MEarth Survey, a transiting planet survey searching for super Earths around mid-to-late M dwarfs within 33 pc. We present NIR spectral types for each star and new spectral templates for the IRTF in the Y, J, H, and K-bands, created using M dwarfs with near-solar metallicities. We developed two spectroscopic distance calibrations that use NIR spectral type or an index basedmore » on the curvature of the K-band continuum. Our distance calibration has a scatter of 14%. We searched 27 NIR spectral lines and 10 spectral indices for metallicity sensitive features, taking into account correlated noise in our estimates of the errors on these parameters. We calibrated our relation using 36 M dwarfs in common proper pairs with an F-, G-, or K-type star of known metallicity. We validated the physical association of these pairs using proper motions, radial velocities, and spectroscopic distance estimates. Our resulting metallicity calibration uses the sodium doublet at 2.2 μm as the sole indicator for metallicity. It has an accuracy of 0.12 dex inferred from the scatter between the metallicities of the primaries and the estimated metallicities of the secondaries. Our relation is valid for NIR spectral types from M1V to M5V and for –1.0 dex < [Fe/H] < +0.35 dex. We present a new color-color metallicity relation using J – H and J – K colors that directly relates two observables: the distance from the M dwarf main sequence and equivalent width of the sodium line at 2.2 μm. We used radial velocities of M dwarf binaries, observations at different epochs, and comparison between our measurements and precisely measured radial velocities to demonstrate a 4 km s{sup –1} accuracy.« less

Chemical activation of molecules by metals: Experimental studies of electron distributions and bonding

NASA Astrophysics Data System (ADS)

Lichtenberg, Dennis L.

During this period some important breakthroughs were accomplished in understanding the relationships between molecular ionization energies and bond energies in transition metal complexes, in understanding the electronic factors of carbon-hydrogen bond activation by transition metals, in characterizing small molecule bonding interactions with transition metals, and in investigating intermolecular interactions in thin films of transition metal complexes. The formal relationship between measured molecular ionization energies and thermodynamic bond dissociation energies was developed into a single equation which unifies the treatment of covalent bonds, ionic bonds, and partially ionic bonds. The relationship was used to clarify the fundamental thermodynamic information relating to metal-hydrogen, metal-alkyl, and metal-metal bond energies. The ionization energies were also used to correlate the rates of carbonyl substitution reactions of (eta(sup 5)-C5H4X)Rh(CO)2 complexes, and to reveal the factors that control the stability of the transition state. The investigations of the fundamental interactions of C-H sigma and sigma* orbitals metals were continued with study of eta(sup 3)-1-methylallyl metal complexes. Direct observation and measurement of the stabilization energy provided by the agostic interaction of the C-H bond with the metal was obtained. The ability to observe the electronic effects of intermolecular interactions by comparing the ionizations of metal complexes in the gas phase with the ionizations of thin solid organometallic films prepared in ultra-high vacuum was established. Most significantly, the scanning tunneling microscope imaging of these thin films was accomplished.

Milky Way globular cluster metallicity and low-mass X-ray binaries: the red giant influence

NASA Astrophysics Data System (ADS)

Vulic, N.; Barmby, P.; Gallagher, S. C.

2018-02-01

Galactic and extragalactic studies have shown that metal-rich globular clusters (GCs) are approximately three times more likely to host bright low-mass X-ray binaries (LMXBs) than metal-poor GCs. There is no satisfactory explanation for this metallicity effect. We tested the hypothesis that the number density of red giant branch (RGB) stars is larger in metal-rich GCs, and thus potentially the cause of the metallicity effect. Using Hubble Space Telescope photometry for 109 unique Milky Way GCs, we investigated whether RGB star density was correlated with GC metallicity. Isochrone fitting was used to calculate the number of RGB stars, which were normalized by the GC mass and fraction of observed GC luminosity, and determined density using the volume at the half-light radius (rh). The RGB star number density was weakly correlated with metallicity [Fe/H], giving Spearman and Kendall Rank test p-values of 0.000 16 and 0.000 21 and coefficients rs = 0.35 and τ = 0.24, respectively. This correlation may be biased by a possible dependence of rh on [Fe/H], although studies have shown that rh is correlated with Galactocentric distance and independent of [Fe/H]. The dynamical origin of the rh-metallicity correlation (tidal stripping) suggests that metal-rich GCs may have had more active dynamical histories, which would promote LMXB formation. No correlation between the RGB star number density and metallicity was found when using only the GCs that hosted quiescent LMXBs. A complete census of quiescent LMXBs in our Galaxy is needed to further probe the metallicity effect, which will be possible with the upcoming launch of eROSITA.

ECLIPSING BINARY SCIENCE VIA THE MERGING OF TRANSIT AND DOPPLER EXOPLANET SURVEY DATA-A CASE STUDY WITH THE MARVELS PILOT PROJECT AND SuperWASP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fleming, Scott W.; Ge Jian; De Lee, Nathan M.

2011-08-15

Exoplanet transit and Doppler surveys discover many binary stars during their operation that can be used to conduct a variety of ancillary science. Specifically, eclipsing binary stars can be used to study the stellar mass-radius relationship and to test predictions of theoretical stellar evolution models. By cross-referencing 24 binary stars found in the MARVELS Pilot Project with SuperWASP photometry, we find two new eclipsing binaries, TYC 0272-00458-1 and TYC 1422-01328-1, which we use as case studies to develop a general approach to eclipsing binaries in survey data. TYC 0272-00458-1 is a single-lined spectroscopic binary for which we calculate a massmore » of the secondary and radii for both components using reasonable constraints on the primary mass through several different techniques. For a primary mass of M{sub 1} = 0.92 {+-} 0.1 M{sub sun}, we find M{sub 2} = 0.610 {+-} 0.036 M{sub sun}, R{sub 1} = 0.932 {+-} 0.076 R{sub sun}, and R{sub 2} = 0.559 {+-} 0.102 R{sub sun}, and find that both stars have masses and radii consistent with model predictions. TYC 1422-01328-1 is a triple-component system for which we can directly measure the masses and radii of the eclipsing pair. We find that the eclipsing pair consists of an evolved primary star (M{sub 1} = 1.163 {+-} 0.034 M{sub sun}, R{sub 1} = 2.063 {+-} 0.058 R{sub sun}) and a G-type dwarf secondary (M{sub 2} = 0.905 {+-} 0.067 M{sub sun}, R{sub 2} = 0.887 {+-} 0.037 R{sub sun}). We provide the framework necessary to apply this analysis to much larger data sets.« less

Something borrowed, something blue: The nature of blue metal-poor stars inferred from their colours and chemical abundances

NASA Astrophysics Data System (ADS)

Hansen, C. J.; Jofré, P.; Koch, A.; McWilliam, A.; Sneden, C. S.

2017-02-01

Blue metal-poor (BMP) stars are main sequence stars that appear bluer and more luminous than normal turnoff stars. They were originally singled out by using B-V and U-B colour cuts.Early studies found that a larger fraction of field BMP stars were binaries compared to normal halo stars. Thus, BMP stars are ideal field blue straggler candidates for investigating internal stellar evolution processes and binary interaction. In particular, the presence or depletion in lithium in their spectra is a powerful indicator of their origin. They are either old, halo blue stragglers experiencing internal mixing processes or mass transfer (Li-depletion), or intermediate-age, single stars of possibly extragalactic origin (2.2 dex halo plateau Li). However, we note that internal mixing processes can lead to an increased level of Li. Hence, this study combines photometry and spectroscopy to unveil the origin of various BMP stars. We first show how to separate binaries from young blue stars using photometry, metallicity and lithium. Using a sample of 80 BMP stars (T > 6300 K), we find that 97% of the BMP binaries have V-Ks0 < 1.08 ± 0.03, while BMP stars that are not binaries lie above this cut in two thirds of the cases. This cut can help classify stars that lack radial velocities from follow-up observations. We then trace the origin of two BMP stars from the photometric sample by conducting a full chemical analysis using new high-resolution and high signal-to-noise spectra. Based on their radial velocities, Li, α and s- and r-process abundances we show that BPS CS22874-042 is a single star (A(Li) = 2.38 ± 0.10 dex) while with A(Li)= 2.23 ± 0.07 dex CD-48 2445 is a binary, contrary to earlier findings. Our analysis emphasises that field blue stragglers can be segregated from single metal-poor stars, using (V-Ks) colours with a fraction of single stars polluting the binary sample, but not vice versa. These two groups can only be properly separated by using information from stellar spectra, illustrating the need for accurate and precise stellar parameters and high-resolution, high-S/N spectra in order to fully understand and classify this intriguing class of stars. Our high-resolution spectrum analysis confirms the findings from the colour cuts and shows that CS 22874-042 is single, while CD -48 2445 is most likely a binary. Moreover, the stellar abundances show that both stars formed in situ; CS 22874-042 carries traces of massive star enrichment and CD -48 2445 shows indications of AGB mass transfer mixed with gases ejected possibly from neutron star mergers. Based on UVES archive data 077.B-0507 and 090.B-0605. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile. Full Table 4 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/598/A54

Pure electronic metal-insulator transition at the interface of complex oxides

DOE PAGES

Meyers, D.; Liu, Jian; Freeland, J. W.; ...

2016-06-21

We observed complex materials in electronic phases and transitions between them often involve coupling between many degrees of freedom whose entanglement convolutes understanding of the instigating mechanism. Metal-insulator transitions are one such problem where coupling to the structural, orbital, charge, and magnetic order parameters frequently obscures the underlying physics. We demonstrate a way to unravel this conundrum by heterostructuring a prototypical multi-ordered complex oxide NdNiO3 in ultra thin geometry, which preserves the metal-to-insulator transition and bulk-like magnetic order parameter, but entirely suppresses the symmetry lowering and long-range charge order parameter. Furthermore, these findings illustrate the utility of heterointerfaces as amore » powerful method for removing competing order parameters to gain greater insight into the nature of the transition, here revealing that the magnetic order generates the transition independently, leading to an exceptionally rare purely electronic metal-insulator transition with no symmetry change.« less

Electronic Structure and Bonding in Transition Metal Inorganic and Organometallic Complexes: New Basis Sets, Linear Semibridging Carbonyls and Thiocarbonyls, and Oxidative Addition of Molecular Hydrogen to Square - Iridium Complexes.

NASA Astrophysics Data System (ADS)

Sargent, Andrew Landman

Approximate molecular orbital and ab initio quantum chemical techniques are used to investigate the electronic structure, bonding and reactivity of several transition metal inorganic and organometallic complexes. Modest-sized basis sets are developed for the second-row transition metal atoms and are designed for use in geometry optimizations of inorganic and organometallic complexes incorporating these atoms. The basis sets produce optimized equilibrium geometries which are slightly better than those produced with standard 3-21G basis sets, and which are significantly better than those produced with effective core potential basis sets. Linear semibridging carbonyl ligands in heterobimetallic complexes which contain a coordinatively unsaturated late transition metal center are found to accept electron density from, rather than donate electron density to, these centers. Only when the secondary metal center is a coordinatively unsaturated early transition metal center does the semibridging ligand donate electron density to this center. Large holes in the d shell around the metal center are more prominent and prevalent in early than in late transition metal centers, and the importance of filling in these holes outweighs the importance of mitigating the charge imbalance due to the dative metal-metal interaction. Semibridging thiocarbonyl ligands are more effective donors of electron density than the carbonyl ligands since the occupied donor orbitals of pi symmetry are higher in energy. The stereoselectivity of H_2 addition to d^8 square-planar transition metal complexes is controlled by the interactions between the ligands in the plane of addition and the concentrations of electronic charge around the metal center as the complex evolves from a four-coordinate to a six-coordinate species. Electron -withdrawing ligands help stabilize the five-coordinate species while strong electron donor ligands contribute only to the destabilizing repulsive interactions. The relative thermodynamic stabilities of the final complexes can be predicted based on the relative orientations of the strongest sigma-donor ligands.

Investigation of simultaneous biosorption of copper(II) and chromium(VI) on dried Chlorella vulgaris from binary metal mixtures: Application of multicomponent adsorption isotherms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aksu, Z.; Acikel, U.; Kutsal, T.

1999-02-01

Although the biosorption of single metal ions to various kinds of microorganisms has been extensively studied and the adsorption isotherms have been developed for only the single metal ion situation, very little attention has been given to the bioremoval and expression of adsorption isotherms of multimetal ions systems. In this study the simultaneous biosorption of copper(II) and chromium(VI) to Chlorella vulgaris from a binary metal mixture was studied and compared with the single metal ion situation in a batch stirred system. The effects of pH and single- and dual-metal ion concentrations on the equilibrium uptakes were investigated. In previous studiesmore » the optimum biosorption pH had been determined as 4.0 for copper(II) and as 2.0 for chromium(VI). Multimetal ion biosorption studies were performed at these two pH values. It was observed that the equilibrium uptakes of copper(II) or chromium(VI) ions were changed due to the biosorption pH and the presence of other metal ions. Adsorption isotherms were developed for both single- and dual-metal ions systems at these two pH values, and expressed by the mono- and multicomponent Langmuir and Freundlich adsorption models. Model parameters were estimated by nonlinear regression. It was seen that the adsorption equilibrium data fitted very well to the competitive Freundlich model in the concentration ranges studied.« less

Voltage-induced Metal-Insulator Transitions in Perovskite Oxide Thin Films Doped with Strongly Correlelated Electrons

NASA Astrophysics Data System (ADS)

Wang, Yudi; Gil Kim, Soo; Chen, I.-Wei

2007-03-01

We have observed a reversible metal-insulator transition in perovskite oxide thin films that can be controlled by charge trapping pumped by a bipolar voltage bias. In the as-fabricated state, the thin film is metallic with a very low resistance comparable to that of the metallic bottom electrode, showing decreasing resistance with decreasing temperature. This metallic state switches to a high-resistance state after applying a voltage bias: such state is non-ohmic showing a negative temperature dependence of resistance. Switching at essentially the same voltage bias was observed down to 2K. The metal-insulator transition is attributed to charge trapping that disorders the energy of correlated electron states in the conduction band. By increasing the amount of charge trapped, which increases the disorder relative to the band width, increasingly more insulating states with a stronger temperature dependence of resistivity are accessed. This metal-insulator transition provides a platform to engineer new nonvolatile memory that does not require heat (as in phase transition) or dielectric breakdown (as in most other oxide resistance devices).

Magnetic fluctuations driven insulator-to-metal transition in Ca(Ir1−xRux)O3

PubMed Central

Gunasekera, J.; Harriger, L.; Dahal, A.; Heitmann, T.; Vignale, G.; Singh, D. K.

2015-01-01

Magnetic fluctuations in transition metal oxides are a subject of intensive research because of the key role they are expected to play in the transition from the Mott insulator to the unconventional metallic phase of these materials, and also as drivers of superconductivity. Despite much effort, a clear link between magnetic fluctuations and the insulator-to-metal transition has not yet been established. Here we report the discovery of a compelling link between magnetic fluctuations and the insulator-to-metal transition in Ca(Ir1−xRux)O3 perovskites as a function of the substitution coefficient x. We show that when the material turns from insulator to metal, at a critical value of x ~ 0.3, magnetic fluctuations tend to change their character from antiferromagnetic, a Mott insulator phase, to ferromagnetic, an itinerant electron state with Hund’s orbital coupling. These results are expected to have wide-ranging implications for our understanding of the unconventional properties of strongly correlated electrons systems. PMID:26647965

Imaging metal-like monoclinic phase stabilized by surface coordination effect in vanadium dioxide nanobeam

PubMed Central

Li, Zejun; Wu, Jiajing; Hu, Zhenpeng; Lin, Yue; Chen, Qi; Guo, Yuqiao; Liu, Yuhua; Zhao, Yingcheng; Peng, Jing; Chu, Wangsheng; Wu, Changzheng; Xie, Yi

2017-01-01

In correlated systems, intermediate states usually appear transiently across phase transitions even at the femtosecond scale. It therefore remains an open question how to determine these intermediate states—a critical issue for understanding the origin of their correlated behaviour. Here we report a surface coordination route to successfully stabilize and directly image an intermediate state in the metal-insulator transition of vanadium dioxide. As a prototype metal-insulator transition material, we capture an unusual metal-like monoclinic phase at room temperature that has long been predicted. Coordinate bonding of L-ascorbic acid molecules with vanadium dioxide nanobeams induces charge-carrier density reorganization and stabilizes metallic monoclinic vanadium dioxide, unravelling orbital-selective Mott correlation for gap opening of the vanadium dioxide metal–insulator transition. Our study contributes to completing phase-evolution pathways in the metal-insulator transition process, and we anticipate that coordination chemistry may be a powerful tool for engineering properties of low-dimensional correlated solids. PMID:28613281

Chemical control of orbital polarization in artificially structured transition-metal oxides: La2NiXO6 (X=B,Al,Ga,In) from first principles

NASA Astrophysics Data System (ADS)

Han, M. J.; Marianetti, C. A.; Millis, A. J.

2010-10-01

The application of modern layer-by-layer growth techniques to transition-metal oxide materials raises the possibility of creating new classes of materials with rationally designed correlated electron properties. An important step toward this goal is the demonstration that electronic structure can be controlled by atomic composition. In compounds with partially occupied transition-metal d shells, one important aspect of the electronic structure is the relative occupancy of different d orbitals. Previous work has established that strain and quantum confinement can be used to influence orbital occupancy. In this paper we demonstrate a different modality for orbital control in transition-metal oxide heterostructures, using density-functional band calculations supplemented by a tight-binding analysis to show that the choice of nontransition-metal counterion X in transition-metal oxide heterostructures composed of alternating LaNiO3 and LaXO3 units strongly affects orbital occupancy, changing the magnitude and in some cases the sign of the orbital polarization.

Understanding Metal-Insulator transitions in ultra-thin films of LaNiO3

NASA Astrophysics Data System (ADS)

Ravichandran, Jayakanth; King, Philip D. C.; Schlom, Darrell G.; Shen, Kyle M.; Kim, Philip

2014-03-01

LaNiO3 (LNO) is a bulk paramagnetic metal and a member of the family of RENiO3 Nickelates (RE = Rare Earth Metals), which is on the verge of the metal-insulator transition. Ultra-thin films of LNO has been studied extensively in the past and due to its sensitivity to disorder, the true nature of the metal-insulator transition in these films have been hard to decipher. We grow high quality ultra-thin films of LNO using reactive molecular beam epitaxy (MBE) and use a combination of ionic liquid gating and magneto-transport measurements to understand the nature and tunability of metal-insulator transition as a function of thickness for LNO. The underlying mechanisms for the transition are discussed in the framework of standard transport models. These results are discussed in the light of other Mott insulators such as Sr2IrO4, where we have performed similar measurements around the insulating state.

Magnetic fluctuations driven insulator-to-metal transition in Ca(Ir(1-x)Rux)O3.

PubMed

Gunasekera, J; Harriger, L; Dahal, A; Heitmann, T; Vignale, G; Singh, D K

2015-12-09

Magnetic fluctuations in transition metal oxides are a subject of intensive research because of the key role they are expected to play in the transition from the Mott insulator to the unconventional metallic phase of these materials, and also as drivers of superconductivity. Despite much effort, a clear link between magnetic fluctuations and the insulator-to-metal transition has not yet been established. Here we report the discovery of a compelling link between magnetic fluctuations and the insulator-to-metal transition in Ca(Ir1-xRux)O3 perovskites as a function of the substitution coefficient x. We show that when the material turns from insulator to metal, at a critical value of x ~ 0.3, magnetic fluctuations tend to change their character from antiferromagnetic, a Mott insulator phase, to ferromagnetic, an itinerant electron state with Hund's orbital coupling. These results are expected to have wide-ranging implications for our understanding of the unconventional properties of strongly correlated electrons systems.

Speckle Imaging and Spectroscopy of Kepler Exo-planet Transit Candidate Stars

NASA Astrophysics Data System (ADS)

Howell, Steve B.; Sherry, William; Horch, Elliott; Doyle, Laurance

2010-02-01

The NASA Kepler mission was successfully launched on 6 March 2009 and has begun science operations. Commissioning tests done early on in the mission have shown that for the bright sources, 10-15 ppm relative photometry can be achieved. This level assures we will detect Earth- like transits if they are present. ``Hot Jupiter" and similar large planet candidates have already been discovered and will be discussed at the Jan. AAS meeting as well as in a special issue of Science magazine to appear near years end. The plethora of variability observed is astounding and includes a number of eclipsing binaries which appear to have Jupiter and smaller size objects as an orbiting their body. Our proposal consists of three highly related objectives: 1) To continue our highly successful speckle imaging program which is a major component of defense to weed out false positive candidate transiting planets found by Kepler and move the rest to probable or certain exo-planet detections; 2) To obtain low resolution ``discovery" type spectra for planet candidate stars in order to provide spectral type and luminosity class indicators as well as a first look triage to eliminate binaries and rapid rotators; and 3) to obtain ~1Aresolution time ordered spectra of eclipsing binaries that are exo-planet candidates in order to obtain the velocity solution for the binary star, allowing its signal to be modeled and removed from the Keck or HET exo-planet velocity search. As of this writing, Kepler has produced a list of 227 exo-planet candidates which require false positive decision tree observations. Our proposed effort performs much of the first line of defense for the mission.

Nanostructured transition metal oxides useful for water oxidation catalysis

DOEpatents

Frei, Heinz M; Jiao, Feng

2013-12-24

The present invention provides for a composition comprising a nanostructured transition metal oxide capable of oxidizing two H.sub.2O molecules to obtain four protons. In some embodiments of the invention, the composition further comprises a porous matrix wherein the nanocluster of the transition metal oxide is embedded on and/or in the porous matrix.

Synthetic Fabrication of Nanoscale MoS2-Based Transition Metal Sulfides

PubMed Central

Wang, Shutao; An, Changhua; Yuan, Jikang

2010-01-01

Transition metal sulfides are scientifically and technologically important materials. This review summarizes recent progress on the synthetic fabrication of transition metal sulfides nanocrystals with controlled shape, size, and surface functionality. Special attention is paid to the case of MoS2 nanoparticles, where organic (surfactant, polymer), inorganic (support, promoter, doping) compounds and intercalation chemistry are applied.

The evolution of photoevaporating viscous discs in binaries

NASA Astrophysics Data System (ADS)

Rosotti, Giovanni P.; Clarke, Cathie J.

2018-02-01

A large fraction of stars are in binary systems, yet the evolution of protoplanetary discs in binaries has been little explored from the theoretical side. In this paper, we investigate the evolution of the discs surrounding the primary and secondary components of binary systems on the assumption that this is driven by photoevaporation induced by X-rays from the respective star. We show how for close enough separations (20-30 au for average X-ray luminosities) the tidal torque of the companion changes the qualitative behaviour of disc dispersal from inside out to outside in. Fewer transition discs created by photoevaporation are thus expected in binaries. We also demonstrate that in close binaries the reduction in viscous time leads to accelerated disc clearing around both components, consistent with unresolved observations. When looking at the differential disc evolution around the two components, in close binaries discs around the secondary clear first due to the shorter viscous time-scale associated with the smaller outer radius. In wide binaries instead the difference in photoevaporation rate makes the secondaries longer lived, though this is somewhat dependent on the assumed scaling of viscosity with stellar mass. We find that our models are broadly compatible with the growing sample of resolved observations of discs in binaries. We also predict that binaries have higher accretion rates than single stars for the same disc mass. Thus, binaries probably contribute to the observed scatter in the relationship between disc mass and accretion rate in young stars.

Predict the glass transition temperature of glycerol-water binary cryoprotectant by molecular dynamic simulation.

PubMed

Li, Dai-Xi; Liu, Bao-Lin; Liu, Yi-shu; Chen, Cheng-lung

2008-04-01

Vitrification is proposed to be the best way for the cryopreservation of organs. The glass transition temperature (T(g)) of vitrification solutions is a critical parameter of fundamental importance for cryopreservation by vitrification. The instruments that can detect the thermodynamic, mechanical and dielectric changes of a substance may be used to determine the glass transition temperature. T(g) is usually measured by using differential scanning calorimetry (DSC). In this study, the T(g) of the glycerol-aqueous solution (60%, wt/%) was determined by isothermal-isobaric molecular dynamic simulation (NPT-MD). The software package Discover in Material Studio with the Polymer Consortium Force Field (PCFF) was used for the simulation. The state parameters of heat capacity at constant pressure (C(p)), density (rho), amorphous cell volume (V(cell)) and specific volume (V(specific)) and radial distribution function (rdf) were obtained by NPT-MD in the temperature range of 90-270K. These parameters showed a discontinuity at a specific temperature in the plot of state parameter versus temperature. The temperature at the discontinuity is taken as the simulated T(g) value for glycerol-water binary solution. The T(g) values determined by simulation method were compared with the values in the literatures. The simulation values of T(g) (160.06-167.51K) agree well with the DSC results (163.60-167.10K) and the DMA results (159.00K). We drew the conclusion that molecular dynamic simulation (MDS) is a potential method for investigating the glass transition temperature (T(g)) of glycerol-water binary cryoprotectants and may be used for other vitrification solutions.

Detection of the Simplest Sugar, Glycolaldehyde, in a Solar-type Protostar with ALMA

NASA Astrophysics Data System (ADS)

Jørgensen, Jes K.; Favre, Cécile; Bisschop, Suzanne E.; Bourke, Tyler L.; van Dishoeck, Ewine F.; Schmalzl, Markus

2012-09-01

Glycolaldehyde (HCOCH2OH) is the simplest sugar and an important intermediate in the path toward forming more complex biologically relevant molecules. In this Letter we present the first detection of 13 transitions of glycolaldehyde around a solar-type young star, through Atacama Large Millimeter Array (ALMA) observations of the Class 0 protostellar binary IRAS 16293-2422 at 220 GHz (6 transitions) and 690 GHz (7 transitions). The glycolaldehyde lines have their origin in warm (200-300 K) gas close to the individual components of the binary. Glycolaldehyde co-exists with its isomer, methyl formate (HCOOCH3), which is a factor 10-15 more abundant toward the two sources. The data also show a tentative detection of ethylene glycol, the reduced alcohol of glycolaldehyde. In the 690 GHz data, the seven transitions predicted to have the highest optical depths based on modeling of the 220 GHz lines all show redshifted absorption profiles toward one of the components in the binary (IRAS 16293B) indicative of infall and emission at the systemic velocity offset from this by about 0farcs2 (25 AU). We discuss the constraints on the chemical formation of glycolaldehyde and other organic species—in particular, in the context of laboratory experiments of photochemistry of methanol-containing ices. The relative abundances appear to be consistent with UV photochemistry of a CH3OH-CO mixed ice that has undergone mild heating. The order of magnitude increase in line density in these early ALMA data illustrates its huge potential to reveal the full chemical complexity associated with the formation of solar system analogs.

Preparation of transition metal nanoparticles and surfaces modified with (CO)polymers synthesized by RAFT

DOEpatents

McCormick, III., Charles L.; Lowe, Andrew B.; Sumerlin, Brent S.

2006-11-21

A new, facile, general one-phase method of generating thio-functionalized transition metal nanoparticles and surfaces modified by (co)polymers synthesized by the RAFT method is described. The method includes the stops of forming a (co)polymer in aqueous solution using the RAFT methodology, forming a colloidal transition metal precursor solution from an appropriate transition metal; adding the metal precursor solution or surface to the (co)polymer solution, adding a reducing agent into the solution to reduce the metal colloid in situ to produce the stabilized nanoparticles or surface, and isolating the stabilized nanoparticles or surface in a manner such that aggregation is minimized. The functionalized surfaces generated using these methods can further undergo planar surface modifications, such as functionalization with a variety of different chemical groups, expanding their utility and application.

Preparation of transition metal nanoparticles and surfaces modified with (co)polymers synthesized by RAFT

DOEpatents

McCormick, III, Charles L.; Lowe, Andrew B [Hattiesburg, MS; Sumerlin, Brent S [Pittsburgh, PA

2011-12-27

A new, facile, general one-phase method of generating thiol-functionalized transition metal nanoparticles and surfaces modified by (co)polymers synthesized by the RAFT method is described. The method includes the steps of forming a (co)polymer in aqueous solution using the RAFT methodology, forming a colloidal transition metal precursor solution from an appropriate transition metal; adding the metal precursor solution or surface to the (co)polymer solution, adding a reducing agent into the solution to reduce the metal colloid in situ to produce the stabilized nanoparticles or surface, and isolating the stabilized nanoparticles or surface in a manner such that aggregation is minimized. The functionalized surfaces generated using these methods can further undergo planar surface modifications, such as functionalization with a variety of different chemical groups, expanding their utility and application.

Method of boronizing transition metal surfaces

DOEpatents

Koyama, Koichiro; Shimotake, Hiroshi

1983-01-01

A method is presented for preparing a boride layer on a transition metal substrate for use in corrosive environments or as a harden surface in machine applications. This method is particularly useful in treating current collectors for use within a high temperature and corrosive electrochemical cell environment. A melt of a alkali metal boride tetrafluoride salt including such as KF to lower its melting point is prepared including a dissolved boron containing material, for instance NiB, MnB.sub.2, or CrB.sub.2. A transition metal to be coated is immersed in the melt at a temperature of no more than 700.degree. C. and a surface boride layer of that transition metal is formed within a period of about 24 hours on the substrate surface.

HIGH-PRESSURE PHYSICS. Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium.

PubMed

Knudson, M D; Desjarlais, M P; Becker, A; Lemke, R W; Cochrane, K R; Savage, M E; Bliss, D E; Mattsson, T R; Redmer, R

2015-06-26

Eighty years ago, it was proposed that solid hydrogen would become metallic at sufficiently high density. Despite numerous investigations, this transition has not yet been experimentally observed. More recently, there has been much interest in the analog of this predicted metallic transition in the dense liquid, due to its relevance to planetary science. Here, we show direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium. Experimental determination of the location of this transition provides a much-needed benchmark for theory and may constrain the region of hydrogen-helium immiscibility and the boundary-layer pressure in standard models of the internal structure of gas-giant planets. Copyright © 2015, American Association for the Advancement of Science.

E-H mode transition of a high-power inductively coupled plasma torch at atmospheric pressure with a metallic confinement tube

NASA Astrophysics Data System (ADS)

Altenberend, Jochen; Chichignoud, Guy; Delannoy, Yves

2012-08-01

Inductively coupled plasma torches need high ignition voltages for the E-H mode transition and are therefore difficult to operate. In order to reduce the ignition voltage of an RF plasma torch with a metallic confinement tube the E-H mode transition was studied. A Tesla coil was used to create a spark discharge and the E-H mode transition of the plasma was then filmed using a high-speed camera. The electrical potential of the metallic confinement tube was measured using a high-voltage probe. It was found that an arc between the grounded injector and the metallic confinement tube is maintained by the electric field (E-mode). The transition to H-mode occurred at high magnetic fields when the arc formed a loop. The ignition voltage could be reduced by connecting the metallic confinement tube with a capacitor to the RF generator.

Adsorption of divalent metals to metal oxide nanoparicles: Competitive and temperature effects

NASA Astrophysics Data System (ADS)

Grover, Valerie Ann

The presence of metals in natural waters is becoming a critical environmental and public health concern. Emerging nanotechnology and the use of metal oxide nanoparticles has been identified as a potential remediation technique in removing metals from water. However, practical applications are still being explored to determine how to apply their unique chemical and physical properties for full scale remediation projects. This thesis investigates the sorption properties of Cd(II), Cu(II), Pb(II) and Zn(II) to hematite (alpha-Fe2O3) and titanium dioxide (TiO2) nanoparticles in single- and binary-adsorbate systems. Competitive sorption was evaluated in 1L batch binary-metal systems with 0.05g/L nano-hematite at pH 8.0 and pH 6.0. Results indicate that the presence of a secondary metal can affect the sorption process depending upon the molar ratios, such as increased or reduced adsorption. Thermodynamic properties were also studied in order to better understand the effects of temperature on equilibrium and kinetic adsorption capabilities. Understanding the thermodynamic properties can also give insight to determine if the sorption process is a physical, chemical or ion exchange reaction. Thermodynamic parameters such as enthalpy (DeltaH), entropy (DeltaS), and Gibbs free energy (DeltaG) were evaluated as a function of temperature, pH, and metal concentration. Results indicate that Pb(II) and Cu(II) adsorption to nano-hematite was an endothermic and physical adsorption process, while Zn(II) and Cd(II) adsorption was dependent upon the adsorbed concentration evaluated. However, metal adsorptions to nano-titanium dioxide were all found to be endothermic and physical adsorption processes; the spontaneity of metal adsorption was temperature dependent for both metal oxide nanoparticles.

Importance of electronegativity differences and surface structure in molecular dissociation reactions at transition metal surfaces.

PubMed

Crawford, Paul; Hu, P

2006-12-14

The dissociative adsorption of N2 has been studied at both monatomic steps and flat regions on the surfaces of the 4d transition metals from Zr to Pd. Using density functional theory (DFT) calculations, we have determined and analyzed the trends in both straight reactivity and structure sensitivity across the periodic table. With regards to reactivity, we find that the trend in activation energy (Ea) is determined mainly by a charge transfer from the surface metal atoms to the N atoms during transition state formation, namely, the degree of ionicity of the N-surface bond at the transition state. Indeed, we find that the strength of the metal-N bond at the transition state (and therefore the trend in Ea) can be predicted by the difference in Mulliken electronegativity between the metal and N. Structure sensitivity is analyzed in terms of geometric and electronic effects. We find that the lowering of Ea due to steps is more pronounced on the right-hand side of the periodic table. It is found that for the early transition metals the geometric and electronic effects work in opposition when going from terrace to step active site. In the case of the late 4d metals, however, these effects work in combination, producing a more marked reduction in Ea.

Electronically conductive ceramics for high temperature oxidizing environments

DOEpatents

Kucera, Gene H.; Smith, James L.; Sim, James W.

1986-01-01

A high temperature, ceramic composition having electronic conductivity as measured by resistivity below about 500 ohm-cm, chemical stability particularly with respect to cathode conditions in a molten carbonate fuel cell, and composed of an alkali metal, transition metal oxide containing a dopant metal in the crystalline structure to replace a portion of the alkali metal or transition metal.

Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies

NASA Astrophysics Data System (ADS)

Seo, Hosung; Ma, He; Govoni, Marco; Galli, Giulia

2017-12-01

The development of novel quantum bits is key to extending the scope of solid-state quantum-information science and technology. Using first-principles calculations, we propose that large metal ion-vacancy pairs are promising qubit candidates in two binary crystals: 4 H -SiC and w -AlN. In particular, we found that the formation of neutral Hf- and Zr-vacancy pairs is energetically favorable in both solids; these defects have spin-triplet ground states, with electronic structures similar to those of the diamond nitrogen-vacancy center and the SiC divacancy. Interestingly, they exhibit different spin-strain coupling characteristics, and the nature of heavy metal ions may allow for easy defect implantation in desired lattice locations and ensure stability against defect diffusion. To support future experimental identification of the proposed defects, we report predictions of their optical zero-phonon line, zero-field splitting, and hyperfine parameters. The defect design concept identified here may be generalized to other binary semiconductors to facilitate the exploration of new solid-state qubits.

Measurements of the liquidus surface and solidus transitions of the NaCl-UCl3 and NaCl-UCl3-CeCl3 phase diagrams

NASA Astrophysics Data System (ADS)

Sooby, E. S.; Nelson, A. T.; White, J. T.; McIntyre, P. M.

2015-11-01

NaCl-UCl3-PuCl3 is proposed as the fuel salt for a number of molten salt reactor concepts. No experimental data exists for the ternary system, and limited data is available for the binary compositions of this salt system. Differential scanning calorimetry is used in this study to examine the liquidus surface and solidus transition of a surrogate fuel-salt (NaCl-UCl3-CeCl3) and to reinvestigate the NaCl-UCl3 eutectic phase diagram. The results of this study show good agreement with previously reported data for the pure salt compounds used (NaCl, UCl3, and CeCl3) as well as for the eutectic points for the NaCl-UCl3 and NaCl-CeCl3 binary systems. The NaCl-UCl3 liquidus surface produced in this study predicts a 30-40 °C increase on the NaCl-rich side of the binary phase diagram. The increase in liquidus temperature could prove significant to molten salt reactor modeling.

The Phase Behavior of γ-Oryzanol and β-Sitosterol in Edible Oil.

PubMed

Sawalha, Hassan; Venema, Paul; Bot, Arjen; Flöter, Eckhard; Adel, Ruud den; van der Linden, Erik

The phase behavior of binary mixtures of γ-oryzanol and β-sitosterol and ternary mixtures of γ-oryzanol and β-sitosterol in sunflower oil was studied. Binary mixtures of γ-oryzanol and β-sitosterol show double-eutectic behavior. Complex phase behavior with two intermediate mixed solid phases was derived from differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS) data, in which a compound that consists of γ-oryzanol and β-sitosterol molecules at a specific ratio can be formed. SAXS shows that the organization of γ-oryzanol and β-sitosterol in the mixed phases is different from the structure of tubules in ternary systems. Ternary mixtures including sunflower oil do not show a sudden structural transition from the compound to a tubule, but a gradual transition occurs as γ-oryzanol and β-sitosterol are diluted in edible oil. The same behavior is observed when melting binary mixtures of γ-oryzanol and β-sitosterol at higher temperatures. This indicates the feasibility of having an organogelling agent in dynamic exchange between solid and liquid phase, which is an essential feature of triglyceride networks.

Intercalation of Transition Metals into Stacked Benzene Rings: A Model Study of the Intercalation of Transition Metals into Bilayered Graphene.

PubMed

Youn, Il Seung; Kim, Dong Young; Singh, N Jiten; Park, Sung Woo; Youn, Jihee; Kim, Kwang S

2012-01-10

Structures of neutral metal-dibenzene complexes, M(C6H6)2 (M = Sc-Zn), are investigated by using Møller-Plesset second order perturbation theory (MP2). The benzene molecules change their conformation and shape upon complexation with the transition metals. We find two types of structures: (i) stacked forms for early transition metal complexes and (ii) distorted forms for late transition metal ones. The benzene molecules and the metal atom are bound together by δ bonds which originate from the interaction of π-MOs and d orbitals. The binding energy shows a maximum for Cr(C6H6)2, which obeys the 18-electron rule. It is noticeable that Mn(C6H6)2, a 19-electron complex, manages to have a stacked structure with an excess electron delocalized. For other late transition metal complexes having more than 19 electrons, the benzene molecules are bent or stray away from each other to reduce the electron density around a metal atom. For the early transition metals, the M(C6H6) complexes are found to be more weakly bound than M(C6H6)2. This is because the M(C6H6) complexes do not have enough electrons to satisfy the 18-electron rule, and so the M(C6H6)2 complexes generally tend to have tighter binding with a shorter benzene-metal length than the M(C6H6) complexes, which is quite unusual. The present results could provide a possible explanation of why on the Ni surface graphene tends to grow in a few layers, while on the Cu surface the weak interaction between the copper surface and graphene allows for the formation of a single layer of graphene, in agreement with chemical vapor deposition experiments.

First-Principles Study of Electronic Structure and Hydrogen Adsorption of 3d Transition Metal Exposed Paddle Wheel Frameworks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bak, J. H.; Le, V. D.; Kang, J.

2012-04-05

Open-site paddle wheels, comprised of two transition metals bridged with four carboxylate ions, have been widely used for constructing metal-organic frameworks with large surface area and high binding energy sites. Using first-principles density functional theory calculations, we have investigated atomic and electronic structures of various 3d transition metal paddle wheels before and after metal exposure and their hydrogen adsorption properties at open metal sites. Notably, the hydrogen adsorption is impeded by covalent metal-metal bonds in early transition metal paddle wheels from Sc to Cr and by the strong ferromagnetic coupling of diatomic Mn and Fe in the paddle wheel configurations.more » A significantly enhanced H{sub 2} adsorption is predicted in the nonmagnetic Co{sub 2} and Zn{sub 2} paddle wheel with the binding energy of {approx}0.2 eV per H{sub 2}. We also propose the use of two-dimensional Co{sub 2} and Zn{sub 2} paddle wheel frameworks that could have strongly adsorbed dihydrogen up to 1.35 wt % for noncryogenic hydrogen storage applications.« less

The effect of stellar evolution uncertainties on the rest-frame ultraviolet stellar lines of C IV and He II in high-redshift Lyman-break galaxies

NASA Astrophysics Data System (ADS)

Eldridge, John J.; Stanway, Elizabeth R.

2012-01-01

Young, massive stars dominate the rest-frame ultraviolet (UV) spectra of star-forming galaxies. At high redshifts (z > 2), these rest-frame UV features are shifted into the observed-frame optical and a combination of gravitational lensing, deep spectroscopy and spectral stacking analysis allows the stellar population characteristics of these sources to be investigated. We use our stellar population synthesis code Binary Population and Spectral Synthesis (BPASS) to fit two strong rest-frame UV spectral features in published Lyman-break galaxy spectra, taking into account the effects of binary evolution on the stellar spectrum. In particular, we consider the effects of quasi-homogeneous evolution (arising from the rotational mixing of rapidly rotating stars), metallicity and the relative abundance of carbon and oxygen on the observed strengths of He IIλ1640 Å and C IVλ1548, 1551 Å spectral lines. We find that Lyman-break galaxy spectra at z ˜ 2-3 are best fitted with moderately sub-solar metallicities, and with a depleted carbon-to-oxygen ratio. We also find that the spectra of the lowest metallicity sources are best fitted with model spectra in which the He II emission line is boosted by the inclusion of the effect of massive stars being spun-up during binary mass transfer so these rapidly rotating stars experience quasi-homogeneous evolution.

Multiplicity of the Galactic Senior Citizens: A High-resolution Search for Cool Subdwarf Companions

NASA Astrophysics Data System (ADS)

Ziegler, Carl; Law, Nicholas M.; Baranec, Christoph; Riddle, Reed L.; Fuchs, Joshua T.

2015-05-01

Cool subdwarfs are the oldest members of the low-mass stellar population. Mostly present in the galactic halo, subdwarfs are characterized by their low-metallicity. Measuring their binary fraction and comparing it to solar-metallicity stars could give key insights into the star formation process early in the Milky Way’s history. However, because of their low luminosity and relative rarity in the solar neighborhood, binarity surveys of cool subdwarfs have suffered from small sample sizes and incompleteness. Previous surveys have suggested that the binary fraction of red subdwarfs is much lower than for their main-sequence cousins. Using the highly efficient Robo-AO system, we present the largest high-resolution survey of subdwarfs, sensitive to angular separations (ρ ≥slant 0.″ 15) and contrast ratios ({Δ }{{m}i} ≤slant 6) invisible in past surveys. Of 344 target cool subdwarfs, 43 are in multiple systems, 19 of which are newly discovered, for a binary fraction of 12.5 ± 1.9%. We also discovered seven triple star systems for a triplet fraction of 2.0 ± 0.8%. Comparisons to similar surveys of solar-metallicity dwarf stars gives a ∼3σ disparity in luminosity between companion stars, with subdwarfs displaying a shortage of low-contrast companions. We also observe a lack of close subdwarf companions in comparison to similar-mass dwarf multiple systems.

Binary metal oxide nanoparticle incorporated composite multilayer thin films for sono-photocatalytic degradation of organic pollutants

NASA Astrophysics Data System (ADS)

Gokul, Paramasivam; Vinoth, Ramalingam; Neppolian, Bernaurdshaw; Anandhakumar, Sundaramurthy

2017-10-01

We report reduced graphene oxide (rGO) supported binary metal oxide (CuO-TiO2/rGO) nanoparticle (NP) incorporated multilayer thin films based on Layer-by-Layer (LbL) assembly for enhanced sono-photocatalytic degradation of methyl orange under exposure to UV radiation. Multilayer thin films were fabricated on glass and quartz slides, and investigated using scanning electron microscopy and UV-vis spectroscopy. The loading of catalyst NPs on the film resulted in the change of morphology of the film from smooth to rough with uniformly distributed NPs on the surface. The growth of the control and NP incorporated films followed a linear regime as a function of number of layers. The%degradation of methyl orange as a function of time was investigated by UV-vis spectroscopy and total organic carbon (TOC) measurements. Complete degradation of methyl orange was achieved within 13 h. The amount of NP loading in the film significantly influenced the%degradation of methyl orange. Catalyst reusability studies revealed that the catalyst thin films could be repeatedly used for up to five times without any change in photocatalytic activity of the films. The findings of the present study support that the binary metal oxide catalyst films reported here are very useful for continuous systems, and thus, making it an option for scale up.

High-resolution spectroscopic observations of the new CEMP-s star CD -50°776

NASA Astrophysics Data System (ADS)

Roriz, M.; Pereira, C. B.; Drake, N. A.; Roig, F.; Silva, J. V. Sales

2017-11-01

Carbon enhanced metal-poor (CEMP) stars are a particular class of low-metalicity halo stars whose chemical analysis may provide important contrains to the chemistry evolution of the Galaxy and to the models of mass-transfer and evolution of components in binary systems. Here, we present a detailed analysis of the CEMP star CD -50°776, using high resolution optical spectroscopy. We found that CD -50°776 has a metalicity [Fe/H] = -2.31 and a carbon abundance [C/Fe] = +1.21. Analysing the s-process elements and the europium abundances, we show that this star is actually a CEMP-s star, based on the criteria set in the literature to classify these chemically peculiar objects. We also show that CD -50°776 is a lead star, since it has a ratio [Pb/Ce] = +0.97. In addition, we show that CD -50°776 develops radial velocity variations that may be attributed to the orbital motion in a binary system. The abundance pattern of CD -50°776 is discussed and compared to other CEMP-s stars already reported in the literature to show that this star is a quite exceptional object among the CEMP stars, particularly due to its low nitrogen abundance. Explaining this pattern may require to improve the nucleosynthesis models, and the evolutionary models of mass transfer and binary interaction.

Wide- and contact-binary formation in substructured young stellar clusters

NASA Astrophysics Data System (ADS)

Dorval, J.; Boily, C. M.; Moraux, E.; Roos, O.

2017-02-01

We explore with collisional gravitational N-body models the evolution of binary stars in initially fragmented and globally subvirial clusters of stars. Binaries are inserted in the (initially) clumpy configurations so as to match the observed distributions of the field-binary-stars' semimajor axes a and binary fraction versus primary mass. The dissolution rate of wide binaries is very high at the start of the simulations, and is much reduced once the clumps are eroded by the global infall. The transition between the two regimes is sharper as the number of stars N is increased, from N = 1.5 k up to 80 k. The fraction of dissolved binary stars increases only mildly with N, from ≈15 per cent to ≈25 per cent for the same range in N. We repeated the calculation for two initial system mean number densities of 6 per pc3 (low) and 400 per pc3 (high). We found that the longer free-fall time of the low-density runs allows for prolonged binary-binary interactions inside clumps and the formation of very tight (a ≈ 0.01 au) binaries by exchange collisions. This is an indication that the statistics of such compact binaries bear a direct link to their environment at birth. We also explore the formation of wide (a ≳ 5 × 104 au) binaries and find a low (≈0.01 per cent) fraction mildly bound to the central star cluster. The high-precision astrometric mission Gaia could identify them as outflowing shells or streams.

Formation of close binary black holes merging due to gravitational-wave radiation

NASA Astrophysics Data System (ADS)

Tutukov, A. V.; Cherepashchuk, A. M.

2017-10-01

The conditions for the formation of close-binary black-hole systems merging over the Hubble time due to gravitational-wave radiation are considered in the framework of current ideas about the evolution of massive close-binary systems. The original systems whose mergers were detected by LIGO consisted of main-sequence stars with masses of 30-100 M ⊙. The preservation of the compactness of a binary black hole during the evolution of its components requires either the formation of a common envelope, probably also with a low initial abundance of metals, or the presence of a "kick"—a velocity obtained during a supernova explosion accompanied by the formation of a black hole. In principle, such a kick can explain the relatively low frequency of mergers of the components of close-binary stellar black holes, if the characteristic speed of the kick exceeds the orbital velocities of the system components during the supernova explosion. Another opportunity for the components of close-binary systems to approach each other is related to their possible motion in a dense molecular cloud.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Valin, R.; Morse, J.W.

The operation of an OTEC plant will result in the mixing of large volumes of seawater from different depths within the ocean. Because suspended particulate material is intimately involved in marine food webs and transition metals, such as copper, can have toxic effects, it is important to develop a sound methodology for characterizing and quantifying transition metal behavior associated with the solid material. The characterization of solid-phase-associated transition metals in the marine environment has largely been directed at marine sediments. These studies have generally indicated that it is not possible to uniquely identify the solid phases or chemical speciation ofmore » a given metal. There are many reasons for this difficulty, but the probable major analytical problems arise from the fact that many of the transition metals of interest are present only in trace concentrations as adsorbed species on amorphous oxides or as coprecipitates. In one approach transition metals are classified according to how easily they are solubilized when exposed to different types of chemical attack, as defined in chemical extraction schemes. In this study, several of the most widely accepted extraction techniques were compared for many of the most commonly measured transition metals to a variety of marine sediments. Based on the results of this study, the sequential extraction scheme of Tessler et al. (1979) is the recommended method for the characterization of solid-phase associated transition metals. An increase of the reducing agent concentration in the intermediate step and temperature decrease with an additional HCl digestion in the residual step are recommended as improvements, based on the results of the individual extraction method studies.« less

A high yield reverse micelle synthesis of catalysts and catalyst precursors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Linehan, J.C.; Matson, D.W.; Darab, J.G.

1995-04-01

Reverse micelles or water-in-oil microemulsions have been prepared using a mixed AOT/SDS surfactant to increase the stability of the microemulsion and thereby allow a high loading of particle-forming precursors in the aqueous cores. The Modified Reverse Micelles (MRM), as these new binary surfactant microemulsions are called, have proven useful for the laboratory-scale synthesis of nanoscale metals, metal oxides, metal sulfides, and mixed metal materials. The system allows control over the phase and size of the precipitated crystallites and is ideal for producing nanocrystalline powders and suspensions.

Multistable binary decision making on networks

NASA Astrophysics Data System (ADS)

Lucas, Andrew; Lee, Ching Hua

2013-03-01

We propose a simple model for a binary decision making process on a graph, motivated by modeling social decision making with cooperative individuals. The model is similar to a random field Ising model or fiber bundle model, but with key differences in behavior on heterogeneous networks. For many types of disorder and interactions between the nodes, we predict with mean field theory discontinuous phase transitions that are largely independent of network structure. We show how these phase transitions can also be understood by studying microscopic avalanches and describe how network structure enhances fluctuations in the distribution of avalanches. We suggest theoretically the existence of a “glassy” spectrum of equilibria associated with a typical phase, even on infinite graphs, so long as the first moment of the degree distribution is finite. This behavior implies that the model is robust against noise below a certain scale and also that phase transitions can switch from discontinuous to continuous on networks with too few edges. Numerical simulations suggest that our theory is accurate.

Coupling of demixing and magnetic ordering phase transitions probed by turbidimetric measurements in a binary mixture doped with magnetic nanoparticles.

PubMed

Hernández-Díaz, Lorenzo; Hernández-Reta, Juan Carlos; Encinas, Armando; Nahmad-Molinari, Yuri

2010-05-19

We present a novel study on the effect of a magnetic field applied on a binary mixture doped with magnetic nanoparticles close to its demixing transition. Turbidity measurements in the Faraday configuration show that the effect of applying an external field produces changes in the critical opalescence of the mixture that allow us to track an aggregation produced by critical Casimir forces and a reversible aggregation due to the formation of chain-like flocks in response to the external magnetic field. The observation of a crossover of the aggregation curves through optical signals is interpreted as the evolution from low to high power dispersion nuclei due to an increase in the radius of the condensation seed brought about by Casimir or magnetic interactions. Finally, evidence of an enhanced magnetocaloric effect due to the coupling between mixing and ordering phase transitions is presented which opens up a nonsolid state approach of designing refrigerating cycles and devices.

First Higher-Multipole Model of Gravitational Waves from Spinning and Coalescing Black-Hole Binaries

NASA Astrophysics Data System (ADS)

London, Lionel; Khan, Sebastian; Fauchon-Jones, Edward; García, Cecilio; Hannam, Mark; Husa, Sascha; Jiménez-Forteza, Xisco; Kalaghatgi, Chinmay; Ohme, Frank; Pannarale, Francesco

2018-04-01

Gravitational-wave observations of binary black holes currently rely on theoretical models that predict the dominant multipoles (ℓ=2 ,|m |=2 ) of the radiation during inspiral, merger, and ringdown. We introduce a simple method to include the subdominant multipoles to binary black hole gravitational waveforms, given a frequency-domain model for the dominant multipoles. The amplitude and phase of the original model are appropriately stretched and rescaled using post-Newtonian results (for the inspiral), perturbation theory (for the ringdown), and a smooth transition between the two. No additional tuning to numerical-relativity simulations is required. We apply a variant of this method to the nonprecessing PhenomD model. The result, PhenomHM, constitutes the first higher-multipole model of spinning and coalescing black-hole binaries, and currently includes the (ℓ,|m |)=(2 ,2 ),(3 ,3 ),(4 ,4 ),(2 ,1 ),(3 ,2 ),(4 ,3 ) radiative moments. Comparisons with numerical-relativity waveforms demonstrate that PhenomHM is more accurate than dominant-multipole-only models for all binary configurations, and typically improves the measurement of binary properties.

First Higher-Multipole Model of Gravitational Waves from Spinning and Coalescing Black-Hole Binaries.

PubMed

London, Lionel; Khan, Sebastian; Fauchon-Jones, Edward; García, Cecilio; Hannam, Mark; Husa, Sascha; Jiménez-Forteza, Xisco; Kalaghatgi, Chinmay; Ohme, Frank; Pannarale, Francesco

2018-04-20

Gravitational-wave observations of binary black holes currently rely on theoretical models that predict the dominant multipoles (ℓ=2,|m|=2) of the radiation during inspiral, merger, and ringdown. We introduce a simple method to include the subdominant multipoles to binary black hole gravitational waveforms, given a frequency-domain model for the dominant multipoles. The amplitude and phase of the original model are appropriately stretched and rescaled using post-Newtonian results (for the inspiral), perturbation theory (for the ringdown), and a smooth transition between the two. No additional tuning to numerical-relativity simulations is required. We apply a variant of this method to the nonprecessing PhenomD model. The result, PhenomHM, constitutes the first higher-multipole model of spinning and coalescing black-hole binaries, and currently includes the (ℓ,|m|)=(2,2),(3,3),(4,4),(2,1),(3,2),(4,3) radiative moments. Comparisons with numerical-relativity waveforms demonstrate that PhenomHM is more accurate than dominant-multipole-only models for all binary configurations, and typically improves the measurement of binary properties.

Cathodes for lithium-air battery cells with acid electrolytes

DOEpatents

Xing, Yangchuan; Huang, Kan; Li, Yunfeng

2016-07-19

In various embodiments, the present disclosure provides a layered metal-air cathode for a metal-air battery. Generally, the layered metal-air cathode comprises an active catalyst layer, a transition layer bonded to the active catalyst layer, and a backing layer bonded to the transition layer such that the transition layer is disposed between the active catalyst layer and the backing layer.

Cathode material for lithium batteries

DOEpatents

Park, Sang-Ho; Amine, Khalil

2013-07-23

A method of manufacture an article of a cathode (positive electrode) material for lithium batteries. The cathode material is a lithium molybdenum composite transition metal oxide material and is prepared by mixing in a solid state an intermediate molybdenum composite transition metal oxide and a lithium source. The mixture is thermally treated to obtain the lithium molybdenum composite transition metal oxide cathode material.

Cathode material for lithium batteries

DOEpatents

Park, Sang-Ho; Amine, Khalil

2015-01-13

A method of manufacture an article of a cathode (positive electrode) material for lithium batteries. The cathode material is a lithium molybdenum composite transition metal oxide material and is prepared by mixing in a solid state an intermediate molybdenum composite transition metal oxide and a lithium source. The mixture is thermally treated to obtain the lithium molybdenum composite transition metal oxide cathode material.

Transition Metal d-Orbital Splitting Diagrams: An Updated Educational Resource for Square Planar Transition Metal Complexes

ERIC Educational Resources Information Center

Bo¨rgel, Jonas; Campbell, Michael G.; Ritter, Tobias

2016-01-01

The presentation of d-orbital splitting diagrams for square planar transition metal complexes in textbooks and educational materials is often inconsistent and therefore confusing for students. Here we provide a concise summary of the key features of orbital splitting diagrams for square planar complexes, which we propose may be used as an updated…

Copper signaling in the brain and beyond.

PubMed

Ackerman, Cheri M; Chang, Christopher J

2018-03-30

Transition metals have been recognized and studied primarily in the context of their essential roles as structural and metabolic cofactors for biomolecules that compose living systems. More recently, an emerging paradigm of transition-metal signaling, where dynamic changes in transitional metal pools can modulate protein function, cell fate, and organism health and disease, has broadened our view of the potential contributions of these essential nutrients in biology. Using copper as a canonical example of transition-metal signaling, we highlight key experiments where direct measurement and/or visualization of dynamic copper pools, in combination with biochemical, physiological, and behavioral studies, have deciphered sources, targets, and physiological effects of copper signals.

Adjustable metal-semiconductor transition of FeS thin films by thermal annealing

NASA Astrophysics Data System (ADS)

Fu, Ganhua; Polity, Angelika; Volbers, Niklas; Meyer, Bruno K.; Mogwitz, Boris; Janek, Jürgen

2006-12-01

FeS polycrystalline thin films were prepared on float glass at 500°C by radio-frequency reactive sputtering. The influence of vacuum annealing on the metal-semiconductor transition of FeS films was investigated. It has been found that with the increase of the annealing temperature from 360to600°C, the metal-semiconductor transition temperature of FeS films first decreases and then increases, associated with first a reduction and then an enhancement of hysteresis width. The thermal stress is considered to give rise to the abnormal change of the metal-semiconductor transition of the FeS film during annealing.

Transition-Metal Substitution Doping in Synthetic Atomically Thin Semiconductors

DOE PAGES

Gao, Jian; Kim, Young Duck; Liang, Liangbo; ...

2016-09-20

Semiconductor impurity doping has enabled an entire generation of technology. The emergence of alternative semiconductor material systems, such as transition metal dichalcogenides (TMDCs), requires the development of scalable doping strategies. We report an unprecedented one-pot synthesis for transition-metal substitution in large-area, synthetic monolayer TMDCs. Electron microscopy, optical and electronic transport characterization and ab initio calculations indicate that our doping strategy preserves the attractive qualities of TMDC monolayers, including semiconducting transport and strong direct-gap luminescence. These results are expected to encourage exploration of transition-metal substitution in two-dimensional systems, potentially enabling next-generation optoelectronic technology in the atomically-thin regime.

Microalloying of transition metal silicides by mechanical activation and field-activated reaction

DOEpatents

Munir, Zuhair A [Davis, CA; Woolman, Joseph N [Davis, CA; Petrovic, John J [Los Alamos, NM

2003-09-02

Alloys of transition metal suicides that contain one or more alloying elements are fabricated by a two-stage process involving mechanical activation as the first stage and densification and field-activated reaction as the second stage. Mechanical activation, preferably performed by high-energy planetary milling, results in the incorporation of atoms of the alloying element(s) into the crystal lattice of the transition metal, while the densification and field-activated reaction, preferably performed by spark plasma sintering, result in the formation of the alloyed transition metal silicide. Among the many advantages of the process are its ability to accommodate materials that are incompatible in other alloying methods.

Toxicity of binary mixtures of metal oxide nanoparticles to Nitrosomonas europaea.

PubMed

Yu, Ran; Wu, Junkang; Liu, Meiting; Zhu, Guangcan; Chen, Lianghui; Chang, Yan; Lu, Huijie

2016-06-01

Although the widely used metal oxide nanoparticles (NPs) titanium dioxide NPs (n-TiO2), cerium dioxide NPs (n-CeO2), and zinc oxide NPs (n-ZnO) have been well known for their potential cytotoxicities to environmental organisms, their combined effects have seldom been investigated. In this study, the short-term binary effect of n-CeO2 and n-TiO2 or n-ZnO on a model ammonia oxidizing bacterium, Nitrosomonas europaea were evaluated based on the examinations of cells' physiological, metabolic, and transcriptional responses. The addition of n-TiO2 mitigated the negative effect of more toxic n-CeO2 and the binary toxicity (antagonistic toxicity) of n-TiO2 and n-CeO2 was generally lower than the single NPs induced one. While the n-CeO2/n-ZnO mixture exerted higher cytotoxicity (synergistic cytotoxicity) than that from single NPs. The increased addition of the less toxic n-CeO2 exaggerated the binary toxicity of n-CeO2/n-ZnO mixture although the solubility of n-ZnO was not significantly affected, which excluded the contribution of the dissolved Zn ions to the enhancement of the combined cytotoxicity. The cell membrane disturbances and NP internalizations were detected for all the NP impacted cultures and the electrostatic interactions among the two distinct NPs and the cells were expected to play a key role in mediating their direct contacts and the eventual binary nanotoxicity to the cells. Copyright © 2016 Elsevier Ltd. All rights reserved.

GX 3+1: The Stability of Spectral Index as a Function of Mass Accretion Rate

NASA Technical Reports Server (NTRS)

Seifana, Elena; Titarchuk, Lev

2012-01-01

We present an analysis of the spectral and timing properties observed in X-rays from neutron star (NS) binary GX 3+1 (4U 1744-26) during long-term transitions between the faint and bright phases superimposed on short-term transitions between lower banana (LB) and upper banana (UB) branches in terms of its color-color diagram, We analyze all observations of this source obtained with the Rossi X-ray Timing Explorer and BeppoSAX satellites, We find that the X-ray broadband energy spectra during these spectral transitions can be adequately reproduced by a composition of a low-temperature blackbody component, a Comptonized component (COMPTB), and Gaussian component We argue that the electron temperature kTe of the Compton cloud monotonically increases from 2.3 keY to 4.5 keY, when GX 3+1 makes a transition from UB to LB. We also detect an evolution of noise components (a very low frequency noise and a high-frequency noise) during these LB-UB transitions. Using a disk seed photon normalization of COMPTB, which is proportional to the mass accretion rate, we find that the photon power-law index Gamma is almost constant (Gamma = 2.00 +/- 0.02) when mass accretion rate changes by factor four. In addition, we find that the emergent spectrum is dominated by the strong Comptonized component We interpret this quasi-stability of the index Gamma and a particular form of the spectrum in the framework of a model in which the energy release in the transition layer located between the accretion disk and NS surface dominates that in the disk. Moreover, this index stability effect now established for GX 3+ I was previously found in the atoll source 4U 1728-34 and suggested for a number of other low-mass X-ray NS binaries. This intrinsic behavior of NSs, in particular for atoll sources, is fundamentally different from that seen in black hole binary sources where the index monotonically increases during spectral transition from the low state to the high state and then finally saturates at high values of mass accretion rate.

GX 3+1: The Stability of Spectral Index as a Function of Mass Accretion Rate

NASA Astrophysics Data System (ADS)

Seifina, Elena; Titarchuk, Lev

2012-03-01

We present an analysis of the spectral and timing properties observed in X-rays from neutron star (NS) binary GX 3+1 (4U 1744-26) during long-term transitions between the faint and bright phases superimposed on short-term transitions between lower banana (LB) and upper banana (UB) branches in terms of its color-color diagram. We analyze all observations of this source obtained with the Rossi X-ray Timing Explorer and Beppo SAX satellites. We find that the X-ray broadband energy spectra during these spectral transitions can be adequately reproduced by a composition of a low-temperature blackbody component, a Comptonized component (COMPTB), and a Gaussian component. We argue that the electron temperature kTe of the Compton cloud monotonically increases from 2.3 keV to 4.5 keV, when GX 3+1 makes a transition from UB to LB. We also detect an evolution of noise components (a very low frequency noise and a high-frequency noise) during these LB-UB transitions. Using a disk seed photon normalization of COMPTB, which is proportional to the mass accretion rate, we find that the photon power-law index Γ is almost constant (Γ = 2.00 ± 0.02) when mass accretion rate changes by a factor of four. In addition, we find that the emergent spectrum is dominated by the strong Comptonized component. We interpret this quasi-stability of the index Γ and a particular form of the spectrum in the framework of a model in which the energy release in the transition layer located between the accretion disk and NS surface dominates that in the disk. Moreover, this index stability effect now established for GX 3+1 was previously found in the atoll source 4U 1728-34 and suggested for a number of other low-mass X-ray NS binaries (see Farinelli & Titarchuk). This intrinsic behavior of NSs, in particular for atoll sources, is fundamentally different from that seen in black hole binary sources where the index monotonically increases during spectral transition from the low state to the high state and then finally saturates at high values of mass accretion rate.

Binary statistics among population II stars

NASA Astrophysics Data System (ADS)

Zinnecker, H.; Köhler, R.; Jahreiß, H.

2004-08-01

Population II stars are old, metal-poor, Galactic halo stars with high proper motion. We have carried out a visual binary survey of 164 halo stars in the solar neighborhood (median distance 100 pc), using infrared speckle interferometry, adaptive optics, and wide field direct imaging. The sample is based on the lists of Population II stars of Carney et al. (1994) and Norris (1986), with reliable distances from HIPPARCOS measurements. At face value, we found 33 binaries, 6 triples, and 1 quadruple system. When we limit ourselves to K-band flux ratios larger than 0.1 (to avoid background contamination), the numbers drop to 9 binaries and 1 triple, corresponding to a binary frequency of 6 - 7 % above our angular resolution limit of about 0.1 arcsec. If we count all systems with K-band flux ratios greater than 0.01, we obtain 15 more binaries and 3 more triples, corresponding to a binary frequency for projected separations in excess of 10 AU of around 20 %. This is to be compared with the frequency of spectroscopic binaries (up to a period of 3000 days) of Population II stars of about 15 % (Latham et al. 2002). We also determined a semi-major axis distribution for our visual Population II binary and triple systems, which appears to be remarkably different from that of Population I stars. Second epoch-observations must help confirm the reality of our results.

Electronic doping of transition metal oxide perovskites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cammarata, Antonio, E-mail: cammaant@fel.cvut.cz; Rondinelli, James M.

2016-05-23

CaFeO{sub 3} is a prototypical negative charge transfer oxide that undergoes electronic metal-insulator transition concomitant with a dilation and contraction of nearly rigid octahedra. Altering the charge neutrality of the bulk system destroys the electronic transition, while the structure is significantly modified at high charge content. Using density functional theory simulations, we predict an alternative avenue to modulate the structure and the electronic transition in CaFeO{sub 3}. Charge distribution can be modulated using strain-rotation coupling and thin film engineering strategies, proposing themselves as a promising avenue for fine tuning electronic features in transition metal-oxide perovskites.

Metal-Insulator Transition in W-doped VO2 Nanowires

NASA Astrophysics Data System (ADS)

Long, Gen; Parry, James; Whittaker, Luisa; Banerjee, Sarbajit; Zeng, Hao

2010-03-01

We report a systematic study of the metal-insulator transition in W-doped VO2 nanowires. Magnetic susceptibility were measured for a bulk amount of VO2 nanowire powder. The susceptibility shows a sharp drop with decreasing temperature corresponding to the metal-insulator transition. The transition shows large temperature hysteresis for cooling and heating. With increasing doping concentration, the transition temperatures decreases systematically from 320 K to 275K. Charge transport measurements on the same nanowires showed similar behavior. XRD and TEM measurements were taken to further determine the structure of the materials in study.

First light - II. Emission line extinction, population III stars, and X-ray binaries

NASA Astrophysics Data System (ADS)

Barrow, Kirk S. S.; Wise, John H.; Aykutalp, Aycin; O'Shea, Brian W.; Norman, Michael L.; Xu, Hao

2018-02-01

We produce synthetic spectra and observations for metal-free stellar populations and high-mass X-ray binaries in the Renaissance Simulations at a redshift of 15. We extend our methodology from the first paper in the series by modelling the production and extinction of emission lines throughout a dusty and metal-enriched interstellar and circum-galactic media extracted from the simulation, using a Monte Carlo calculation. To capture the impact of high-energy photons, we include all frequencies from hard X-ray to far-infrared with enough frequency resolution to discern line emission and absorption profiles. The most common lines in our sample in order of their rate of occurrence are Ly α, the C IV λλ1548, 1551 doublet, H α, and the Ca II λλλ8498, 8542, 8662 triplet. The best scenario for a direct observation of a metal-free stellar population is a merger between two Population III Galaxies. In mergers between metal-enriched and metal-free stellar populations, some characteristics may be inferred indirectly. Single Population III galaxies are too dim to be observed photometrically at z = 15. Ly α emission is discernible by JWST as an increase in J200w - J277w colour off the intrinsic stellar tracks. Observations of metal-free stars will be difficult, though not impossible, with the next generation of space telescopes.

First Light II: Emission Line Extinction, Population III Stars, and X-ray Binaries

DOE PAGES

Barrow, Kirk S. S.; Wise, John H.; Aykutalp, Aycin; ...

2017-11-17

Here, we produce synthetic spectra and observations for metal-free stellar populations and high-mass X-ray binaries in the Renaissance Simulations at a redshift of 15. We extend our methodology from the first paper in the series by modelling the production and extinction of emission lines throughout a dusty and metal-enriched interstellar and circum-galactic media extracted from the simulation, using a Monte Carlo calculation. To capture the impact of high-energy photons, we include all frequencies from hard X-ray to far-infrared with enough frequency resolution to discern line emission and absorption profiles. The most common lines in our sample in order of theirmore » rate of occurrence are Ly α, the C iv λλ1548, 1551 doublet, H α, and the Ca ii λλλ8498, 8542, 8662 triplet. The best scenario for a direct observation of a metal-free stellar population is a merger between two Population III Galaxies. In mergers between metal-enriched and metal-free stellar populations, some characteristics may be inferred indirectly. Single Population III galaxies are too dim to be observed photometrically at z = 15. Ly α emission is discernible by JWST as an increase in J200w – J277w colour off the intrinsic stellar tracks. Observations of metal-free stars will be difficult, though not impossible, with the next generation of space telescopes.« less

First Light II: Emission Line Extinction, Population III Stars, and X-ray Binaries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barrow, Kirk S. S.; Wise, John H.; Aykutalp, Aycin

Here, we produce synthetic spectra and observations for metal-free stellar populations and high-mass X-ray binaries in the Renaissance Simulations at a redshift of 15. We extend our methodology from the first paper in the series by modelling the production and extinction of emission lines throughout a dusty and metal-enriched interstellar and circum-galactic media extracted from the simulation, using a Monte Carlo calculation. To capture the impact of high-energy photons, we include all frequencies from hard X-ray to far-infrared with enough frequency resolution to discern line emission and absorption profiles. The most common lines in our sample in order of theirmore » rate of occurrence are Ly α, the C iv λλ1548, 1551 doublet, H α, and the Ca ii λλλ8498, 8542, 8662 triplet. The best scenario for a direct observation of a metal-free stellar population is a merger between two Population III Galaxies. In mergers between metal-enriched and metal-free stellar populations, some characteristics may be inferred indirectly. Single Population III galaxies are too dim to be observed photometrically at z = 15. Ly α emission is discernible by JWST as an increase in J200w – J277w colour off the intrinsic stellar tracks. Observations of metal-free stars will be difficult, though not impossible, with the next generation of space telescopes.« less

Transition from metal-ligand bonding to halogen bonding involving a metal as halogen acceptor a study of Cu, Ag, Au, Pt, and Hg complexes

NASA Astrophysics Data System (ADS)

Oliveira, Vytor; Cremer, Dieter

2017-08-01

Utilizing all-electron Dirac-exact relativistic calculations with the Normalized Elimination of the Small Component (NESC) method and the local vibrational mode approach, the transition from metal-halide to metal halogen bonding is determined for Au-complexes interacting with halogen-donors. The local stretching force constants of the metal-halogen interactions reveal a smooth transition from weak non-covalent halogen bonding to non-classical 3-center-4-electron bonding and finally covalent metal-halide bonding. The strongest halogen bonds are found for dialkylaurates interacting with Cl2 or FCl. Differing trends in the intrinsic halogen-metal bond strength, the binding energy, and the electrostatic potential are explained.

Effect of non-stationary accretion on spectral state transitions: An example of a persistent neutron star LMXB 4U1636–536

NASA Astrophysics Data System (ADS)

Zhang, Hui; Yu, Wen-Fei

2018-03-01

Observations of black hole and neutron star X-ray binaries show that the luminosity of the hard-to-soft state transition is usually higher than that of the soft-to-hard state transition, indicating additional parameters other than mass accretion rate are required to interpret spectral state transitions. It has been found in some individual black hole or neutron star soft X-ray transients that the luminosity corresponding to the hard-to-soft state transition is positively correlated with the peak luminosity of the following soft state. In this work, we report the discovery of the same correlation in the single persistent neutron star low mass X-ray binary (LMXB) 4U 1636–536 based on data from the All Sky Monitor (ASM) on board RXTE, the Gas Slit Camera (GSC) on board MAXI and the Burst Alert Telescope (BAT) on board Swift. We also found such a positive correlation holds in this persistent neutron star LMXB in a luminosity range spanning about a factor of four. Our results indicate that non-stationary accretion also plays an important role in driving X-ray spectral state transitions in persistent accreting systems with small accretion flares, which is much less dramatic compared with the bright outbursts seen in many Galactic LMXB transients.

Synthesis, characterization, and physical properties of 1D nanostructures

NASA Astrophysics Data System (ADS)

Marley, Peter Mchael

The roster of materials exhibiting metal---insulator transitions with sharply discontinuous switching of electrical conductivity close to room temperature remains rather sparse despite the fundamental interest in the electronic instabilities manifested in such materials and the plethora of potential technological applications, ranging from frequency-agile metamaterials to electrochromic coatings and Mott field-effect transistors. Vanadium oxide bronzes with the general formula MxV2O 5, provide a wealth of compositions and frameworks where strong electron correlation can be systematically (albeit thus far only empirically) tuned. Charge fluctuations along the quasi-1D frameworks of MxV 2O5 bronzes have evinced much recent interest owing to the manifestation of colossal metal---insulator transitions and superconductivity. We start with a general review on the phase transitions, both electronic and structural, of vanadium oxide bronzes in Chapter 1. In Chapter 2, we demonstrate an unprecedented reversible transformation between double-layered (delta) and tunnel (beta) quasi-1D geometries for nanowires of a divalent vanadium bronze CaxV2O5 (x ˜0.23) upon annealing-induced dehydration and hydrothermally-induced hydration. Such a facile hydration/dehydration-induced interconversion between two prominent quasi-1D structures (accompanied by a change in charge ordering motifs) has not been observed in the bulk and is posited to result from the ease of propagation of crystallographic slip processes across the confined nanowire widths for the delta→beta conversion and the facile diffusion of water molecules within the tunnel geometries for the beta→delta reversion. We demonstrate in Chapter 3 unprecedented pronounced metal-insulator transitions induced by application of a voltage for nanowires of a vanadium oxide bronze with intercalated divalent cations, beta-PbxV 2O5 (x ˜0.33). The induction of the phase transition through application of an electric field at room temperature makes this system particularly attractive and viable for technological applications. A mechanistic basis for the phase transition is proposed based on charge disproportionation evidenced at room temperature in near-edge X-ray absorption fine structure (NEXAFS) spectroscopy measurements, ab initio density functional theory calculations of the band structure, and electrical transport data suggesting that transformation to the metallic state is induced by melting of specific charge localization and ordering motifs extant in these materials. In Chapter 4, we report the synthesis of single-crystalline delta-Ag 0.88V2O5 nanowires and unravel pronounced electronic phase transitions induced in response to temperature and applied electric field. Specifically, a pronounced semiconductor---semiconductor transition is evidenced for these materials at ca. 150 K upon heating and a distinctive insulator---conductor transition is observed upon application of an in-plane voltage. An orbital-specific picture of the mechanistic basis of the phase transitions is proposed using a combination of density functional theory (DFT) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. Structural refinements above and below the transition temperature, angle-resolved O K-edge NEXAFS spectra, and DFT calculations suggest that the electronic phase transitions in these 2D frameworks are mediated by a change in the overlap of d xy orbitals. The classical orthorhombic layered phase of V2O5 has long been regarded as the thermodynamic sink for binary vanadium oxides and has found great practical utility as a result of its open framework and easily accessible redox states. Concluding with Chapter 5, we exploit a cation-exchange mechanism to synthesize a new stable tunnel-structured polymorph of V 2O5 (zeta-V2O5) and demonstrate the subsequent ability of this framework to accommodate Li and Mg ions. The facile extraction and insertion of cations and stabilization of the novel tunnel framework is facilitated by the nanometer-sized dimensions of the materials, which leads to accommodation of strain without amorphization. The topotactic approach demonstrated here indicates not just novel intercalation chemistry accessible at nanoscale dimensions but also suggests a facile synthetic route to ternary vanadium oxide bronzes (MxV2O 5) exhibiting intriguing physical properties that range from electronic phase transitions to charge ordering and superconductivity.

Structure, bonding, and catalytic activity of monodisperse, transition-metal-substituted CeO2 nanoparticles.

PubMed

Elias, Joseph S; Risch, Marcel; Giordano, Livia; Mansour, Azzam N; Shao-Horn, Yang

2014-12-10

We present a simple and generalizable synthetic route toward phase-pure, monodisperse transition-metal-substituted ceria nanoparticles (M0.1Ce0.9O2-x, M = Mn, Fe, Co, Ni, Cu). The solution-based pyrolysis of a series of heterobimetallic Schiff base complexes ensures a rigorous control of the size, morphology and composition of 3 nm M0.1Ce0.9O2-x crystallites for CO oxidation catalysis and other applications. X-ray absorption spectroscopy confirms the dispersion of aliovalent (M(3+) and M(2+)) transition metal ions into the ceria matrix without the formation of any bulk transition metal oxide phases, while steady-state CO oxidation catalysis reveals an order of magnitude increase in catalytic activity with copper substitution. Density functional calculations of model slabs of these compounds confirm the stabilization of M(3+) and M(2+) in the lattice of CeO2. These results highlight the role of the host CeO2 lattice in stabilizing high oxidation states of aliovalent transition metal dopants that ordinarily would be intractable, such as Cu(3+), as well as demonstrating a rational approach to catalyst design. The current work demonstrates, for the first time, a generalizable approach for the preparation of transition-metal-substituted CeO2 for a broad range of transition metals with unparalleled synthetic control and illustrates that Cu(3+) is implicated in the mechanism for CO oxidation on CuO-CeO2 catalysts.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Groot, Paul J., E-mail: pgroot@astro.ru.nl

In eclipsing binaries the stellar rotation of the two components will cause a rotational Doppler beaming during eclipse ingress and egress when only part of the eclipsed component is covered. For eclipsing binaries with fast spinning components this photometric analog of the well-known spectroscopic Rossiter-McLaughlin effect can exceed the strength of the orbital effect. Example light curves are shown for a detached double white dwarf binary, a massive O-star binary and a transiting exoplanet case, similar to WASP-33b. Inclusion of the rotational Doppler beaming in eclipsing systems is a prerequisite for deriving the correct stellar parameters from fitting high-quality photometricmore » light curves and can be used to determine stellar obliquities as well as, e.g., an independent measure of the rotational velocity in those systems that may be expected to be fully synchronized.« less

Electronically conductive ceramics for high temperature oxidizing environments

DOEpatents

Kucera, G.H.; Smith, J.L.; Sim, J.W.

1983-11-10

This invention pertains to a high temperature, ceramic composition having electronic conductivity as measured by resistivity below about 500 ohm-cm, chemical stability particularly with respect to cathode conditions in a molten carbonate fuel cell, and composed of an alkali metal, transition metal oxide containing a dopant metal in the crystalline structure to replace a portion of the alkali metal or transition metal.

A GREEN CHEMISTRY APPROACH TO PREPARATION OF CORE (FE OR CU)-SHELL (NOBLE METALS) NANOCOMPOSITES USING AQUEOUS ASCORBIC ACID

EPA Science Inventory

A greener method to fabricate novel core (Fe or Cu)-shell (noble metals) nanocomposites of transition metals such as Fe and Cu and noble metals such as Au, Pt, Pd, and Ag using aqueous ascorbic acid is described. Transition metal salts such as Cu and Fe were reduced using ascor...

Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

DOEpatents

Lilga, Michael A.; Hallen, Richard T.

1990-01-01

The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately .pi.-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancilliary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H.sub.2 from mixed gas streams such as the produce gas from coal gasification processes.

Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

DOEpatents

Lilga, M.A.; Hallen, R.T.

1991-10-15

The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately [pi]-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancillary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H[sub 2] from mixed gas streams such as the product gas from coal gasification processes. 3 figures.

Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

DOEpatents

Lilga, M.A.; Hallen, R.T.

1990-08-28

The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately [pi]-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancillary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H[sub 2] from mixed gas streams such as the producer gas from coal gasification processes. 3 figs.

Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

DOEpatents

Lilga, Michael A.; Hallen, Richard T.

1991-01-01

The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately .pi.-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancilliary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H.sub.2 from mixed gas streams such as the product gas from coal gasification processes.

Light-induced catalytic and cytotoxic properties of phosphorescent transition metal compounds with a d8 electronic configuration.

PubMed

To, Wai-Pong; Zou, Taotao; Sun, Raymond Wai-Yin; Che, Chi-Ming

2013-07-28

Transition metal compounds are well documented to have diverse applications such as in catalysis, light-emitting materials and therapeutics. In the areas of photocatalysis and photodynamic therapy, metal compounds of heavy transition metals are highly sought after because they can give rise to triplet excited states upon photoexcitation. The long lifetimes (more than 1 μs) of the triplet states of transition metal compounds allow for bimolecular reactions/processes such as energy transfer and/or electron transfer to occur. Reactions of triplet excited states of luminescent metal compounds with oxygen in cells may generate reactive oxygen species and/or induce damage to DNA, leading to cell death. This article recaps the recent findings on photochemical and phototoxic properties of luminescent platinum(II) and gold(III) compounds both from the literature and experimental results from our group.

Pressure-induced metal-insulator transitions in chalcogenide NiS2-xSex

NASA Astrophysics Data System (ADS)

Hussain, Tayyaba; Oh, Myeong-jun; Nauman, Muhammad; Jo, Younjung; Han, Garam; Kim, Changyoung; Kang, Woun

2018-05-01

We report the temperature-dependent resistivity ρ(T) of chalcogenide NiS2-xSex (x = 0.1) using hydrostatic pressure as a control parameter in the temperature range of 4-300 K. The insulating behavior of ρ(T) survives at low temperatures in the pressure regime below 7.5 kbar, whereas a clear insulator-to-metallic transition is observed above 7.5 kbar. Two types of magnetic transitions, from the paramagnetic (PM) to the antiferromagnetic (AFM) state and from the AFM state to the weak ferromagnetic (WF) state, were evaluated and confirmed by magnetization measurement. According to the temperature-pressure phase diagram, the WF phase survives up to 7.5 kbar, and the transition temperature of the WF transition decreases as the pressure increases, whereas the metal-insulator transition temperature increases up to 9.4 kbar. We analyzed the metallic behavior and proposed Fermi-liquid behavior of NiS1.9Se0.1.

Ultrafast Dynamics in Vanadium Dioxide: Separating Spatially Segregated Mixed Phase Dynamics in the Time-domain

NASA Astrophysics Data System (ADS)

Hilton, David

2011-10-01

In correlated electronic systems, observed electronic and structural behavior results from the complex interplay between multiple, sometimes competing degrees-of- freedom. One such material used to study insulator-to-metal transitions is vanadium dioxide, which undergoes a phase transition from a monoclinic-insulating phase to a rutile-metallic phase when the sample is heated to 340 K. The major open question with this material is the relative influence of this structural phase transition (Peirels transition) and the effects of electronic correlations (Mott transition) on the observed insulator-to-metal transition. Answers to these major questions are complicated by vanadium dioxide's sensitivity to perturbations in the chemical structure in VO2. For example, related VxOy oxides with nearly a 2:1 ratio do not demonstrate the insulator-to- metal transition, while recent work has demonstrated that W:VO2 has demonstrated a tunable transition temperature controllable with tungsten doping. All of these preexisting results suggest that the observed electronic properties are exquisitely sensitive to the sample disorder. Using ultrafast spectroscopic techniques, it is now possible to impulsively excite this transition and investigate the photoinduced counterpart to this thermal phase transition in a strongly nonequilibrium regime. I will discuss our recent results studying the terahertz-frequency conductivity dynamics of this photoinduced phase transition in the poorly understood near threshold temperature range. We find a dramatic softening of the transition near the critical temperature, which results primarily from the mixed phase coexistence near the transition temperature. To directly study this mixed phase behavior, we directly study the nucleation and growth rates of the metallic phase in the parent insulator using non-degenerate optical pump-probe spectroscopy. These experiments measure, in the time- domain, the coexistent phase separation in VO2 (spatially separated insulator and metal islands) and, more importantly, their dynamic evolution in response to optical excitation.

Identification of a new pseudo-binary hydroxide during calendar corrosion of (La, Mg)2Ni7-type hydrogen storage alloys for Nickel-Metal Hydride batteries

NASA Astrophysics Data System (ADS)

Monnier, J.; Chen, H.; Joiret, S.; Bourgon, J.; Latroche, M.

2014-11-01

To improve the performances of Nickel-Metal Hydride batteries, an important step is the understanding of the corrosion processes that take place in the electrode material. In particular, the present study focuses for the first time on the model (La, Mg)2Ni7 system. The calendar corrosion in 8.7 M KOH medium was investigated from 6 h to 16 weeks immersion. By a unique combination of structural and elemental characterisations, the corrosion products are evidenced in those systems. In particular, we demonstrate that Ni and Mg combine in a pseudo-binary hydroxide Mg1-xNix(OH)2 whereas La corrodes into nanoporous La(OH)3 needles with inner hollow nanochannels.

Phase equilibrium modeling for high temperature metallization on GaAs solar cells

NASA Technical Reports Server (NTRS)

Chung, M. A.; Davison, J. E.; Smith, S. R.

1991-01-01

Recent trends in performance specifications and functional requirements have brought about the need for high temperature metallization technology to be developed for survivable DOD space systems and to enhance solar cell reliability. The temperature constitution phase diagrams of selected binary and ternary systems were reviewed to determine the temperature and type of phase transformation present in the alloy systems. Of paramount interest are the liquid-solid and solid-solid transformations. Data are being utilized to aid in the selection of electrical contact materials to gallium arsenide solar cells. Published data on the phase diagrams for binary systems is readily available. However, information for ternary systems is limited. A computer model is being developed which will enable the phase equilibrium predictions for ternary systems where experimental data is lacking.

The structural, electronic, magnetic and optical properties of the half-metallic binary alloys ZCl3 (Z=Be, Mg, Ca, Sr): A first-principles study

NASA Astrophysics Data System (ADS)

Song, Jun-Tao; Zhang, Jian-Min

2018-06-01

The investigations of the electronic and magnetic properties show the binary Heusler alloys ZCl3 (Z = Be, Mg, Ca, Sr) are half-metallic (HM) ferromagnets with an integer magnetic moment (Mt) of 1 μB /f.u.. The alloy BeCl3 is thermodynamic meta-stable, while other alloys are thermodynamic stable according to their cohesive energies and formation energies. Moreover, wide HM regions for alloys ZCl3 (Z = Be, Mg, Ca, Sr) show their HM characters are robust when the lattices are expanded or compressed under uniform and tetragonal strains. Finally, some optical properties are analyzed in detail, such as the dielectric function, the absorption coefficient, the refractive index and the extinction coefficient.

Resolving the structure and properties of τ1-Cr-Ni-Al for high temperature protective applications

NASA Astrophysics Data System (ADS)

Simonson, J. W.; Nicasio, J. E.; Ilyas, H.; Pabla, J.; Horvat, K.; Misuraca, J. C.

Increasing the temperature of the steam in turbine power plants enhances thermal efficiency while reducing CO2 emissions. Exposed steel components, however, must be coated to withstand the harsh environments present in next-generation advanced ultra-supercritical plants. Proposed coating materials must exhibit low density, high hardness, high toughness, excellent oxidation resistance, and low thermal conductivity. With an eye towards satisfying this diverse array of requirements, we report the properties of the so-called τ1 phase of Cr-Ni-Al. We resolve the previously controversial composition and crystal structure of this material. The complex structure is composed of distorted icosahedra and octahedra of Al, with nearest-neighbor transition metal-Al bond lengths as short as 2.4 Å, far shorter than typical distances in Ni-Al and Cr-Al binaries. Accordingly, Vickers hardness is 6 . 88 +/- 0 . 13 GPa, as hard as extra-high-hardness armor plating at only 45% the density. We discuss these properties in light of the result of transport and oxidation resistance measurements. The apparent dependencies of these properties on crystal structure suggests new criteria for materials research. Acknowledgment is made to the Donors of the American Chemical Society Petroleum Research Fund, for support of this research under contract 56764-UNI10.

STRUCTURAL DIVERSITY IN SOLID STATE CHEMISTRY:A Story of Squares and Triangles

NASA Astrophysics Data System (ADS)

Lee, Stephen

1996-10-01

A simple method for calculating the electronic energy of extended solids is discussed in this review. This method is based on the Huckel or tight-binding theory in which an explicit pairwise repulsion is added to the generally attractive forces of the partially filled valence electron bands. An expansion based on the power moments of the electronic density of states is discussed, and the structural energy difference theorem is reviewed. The repulsive energy is found to vary linearly with the second power moment of the electronic density of states. These results are then used to show why there is such a diversity of structure in the solid state. The elemental structures of the main group are rationalized by the above methods. It is the third and fourth power moments (which correspond in part to triangles and squares of bonded atoms) that account for much of the elemental structures of the main group elements of the periodic table. This serves as an introduction to further rationalizations of transition for noble metal alloy, binary and ternary telluride and selenide, and other intermetallic structures.Thus a cohesive picture of both covalent and metallic bonding is presented in this review, illustrating the importance of atomic orbitals and their overlap integrals.

Experimental bandstructure of the 5 d transition metal oxide IrO2

NASA Astrophysics Data System (ADS)

Kawasaki, Jason; Nie, Yuefeng; Uchida, Masaki; Schlom, Darrell; Shen, Kyle

2015-03-01

In the 5 d iridium oxides the close energy scales of spin-orbit coupling and electron-electron correlations lead to emergent quantum phenomena. Much research has focused on the ternary iridium oxides, e.g. the Ruddlesden-Poppers An + 1BnO3 n + 1 , which exhibit behavior from metal to antiferromagnetic insulator ground states, share common features with the cuprates, and may host a number of topological phases. The binary rutile IrO2 is another important 5 d oxide, which has technological importance for spintronics due to its large spin Hall effect and also applications in catalysis. IrO2 is expected to share similar physics as its perovskite-based cousins; however, due to bond-length distortions of the IrO6 octahedra in the rutile structure, the extent of similarities remains an open question. Here we use angle-resolved photoemission spectroscopy to perform momentum-resolved measurements of the electronic structure of IrO2 . IrO2 thin films were grown by molecular beam epitaxy on TiO2 (110) substrates using an Ir e-beam source and distilled ozone. Films were subsequently transferred through ultrahigh vacuum to a connected ARPES system. Combined with first-principles calculations we explore the interplay of spin-orbit coupling and correlations in IrO2 .

High-rate and long-life lithium-ion battery performance of hierarchically hollow-structured NiCo 2O 4/CNT nanocomposite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Jie; Wu, Jianzhong; Wu, Zexing

In this paper, 3D-transition binary metal oxides have been considered as promising anode materials for lithium-ion batteries with improved reversible capacity, structural stability and electronic conductivity compared with single metal oxides. Here, carbon nanotube supported NiCo 2O 4 nanoparticles (NiCo 2O 4/CNT) with 3D hierarchical hollow structure are fabricated via a simple one-pot method. The NiCo 2O 4 nanoparticles with interconnected pores are consists of small nanocrystals. When used as anode material for the lithium-ion battery, NiCo 2O 4/CNT exhibits enhanced electrochemical performance than that of Co 3O 4/CNT and NiO/CNT. Moreover, ultra-high discharge/charge stability was obtained for 4000 cyclesmore » at a current density of 5 A g –1. The superior battery performance of NiCo 2O 4 nanoparticles is probably attributed to the special structural features and physical characteristics, including integrity, hollow structure with interconnected pores, which providing sufficient accommodation for the volume change during charge/discharge process. Besides, the consisting of ultra-small crystals enhanced the utility of active material, and intimate interaction with CNTs improved the electron-transfer rate.« less

High-rate and long-life lithium-ion battery performance of hierarchically hollow-structured NiCo 2O 4/CNT nanocomposite

DOE PAGES

Wang, Jie; Wu, Jianzhong; Wu, Zexing; ...

2017-05-17

In this paper, 3D-transition binary metal oxides have been considered as promising anode materials for lithium-ion batteries with improved reversible capacity, structural stability and electronic conductivity compared with single metal oxides. Here, carbon nanotube supported NiCo 2O 4 nanoparticles (NiCo 2O 4/CNT) with 3D hierarchical hollow structure are fabricated via a simple one-pot method. The NiCo 2O 4 nanoparticles with interconnected pores are consists of small nanocrystals. When used as anode material for the lithium-ion battery, NiCo 2O 4/CNT exhibits enhanced electrochemical performance than that of Co 3O 4/CNT and NiO/CNT. Moreover, ultra-high discharge/charge stability was obtained for 4000 cyclesmore » at a current density of 5 A g –1. The superior battery performance of NiCo 2O 4 nanoparticles is probably attributed to the special structural features and physical characteristics, including integrity, hollow structure with interconnected pores, which providing sufficient accommodation for the volume change during charge/discharge process. Besides, the consisting of ultra-small crystals enhanced the utility of active material, and intimate interaction with CNTs improved the electron-transfer rate.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fleurial, J.; Caillat, T.; Borshchevsky, A.

Based on literature data and experimental findings at the Jet Propulsion Laboratory (JPL), semiconductors with the skutterudite structure TPn{sub 3} (where T is a transition metal element such as Co, Rh, Ir, Ni, and Pd, and Pn is a pnicogen element such as P, As, and Sb) possess attractive characteristics and show a good potential for high {ital ZT} values. The high degree of covalency results in high mobility and low electrical resistivity values while a relatively complex 32 atom unit cell results in a reasonably low thermal conductivity. Both {ital n}-type and {ital p}-type electrical conductivity samples have beenmore » obtained. Room temperature Seebeck coefficient values up to 200 {mu}VK{sup {minus}1} for {ital p}-type and up to {minus}600 {mu}VK{sup {minus}1} for {ital n}-type have also been measured on several of these materials. In addition, the large number of isostructural compounds, solid solutions and related phases offer many possibilities for optimization of the transport properties to a specific temperature range of thermoelectric applications. By replacing the transition metal or the pnicogen atom by two of its neighboring elements and ensuring that the number of valence electrons is retained, many ternary phases can be successfully derived from the original CoAs{sub 3} skutterudite structure. Some of these materials were found to have substantially lower thermal conductivities compared to those of the binary compounds. The composition, band gap and doping level can be tailored to achieve maximum performance. An overview of the results obtained to date is provided and our approach to achieving high {ital ZT} materials are discussed in this paper. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.« less

Characterization by combined optical and FT infrared spectra of 3d-transition metal ions doped-bismuth silicate glasses and effects of gamma irradiation.

PubMed

ElBatal, F H; Abdelghany, A M; ElBatal, H A

2014-03-25

Optical and infrared absorption spectral measurements were carried out for binary bismuth silicate glass and other derived prepared samples with the same composition and containing additional 0.2% of one of 3d transition metal oxides. The same combined spectroscopic properties were also measured after subjecting the prepared glasses to a gamma dose of 8 Mrad. The experimental optical spectra reveal strong UV-near visible absorption bands from the base and extended to all TMs-doped samples and these specific extended and strong UV-near visible absorption bands are related to the contributions of absorption from both trace iron (Fe(3+)) ions present as contaminated impurities within the raw materials and from absorption of main constituent trivalent bismuth (Bi(3+)) ions. The strong UV-near visible absorption bands are observed to suppress any further UV bands from TM ions. The studied glasses show obvious resistant to gamma irradiation and only small changes are observed upon gamma irradiation. This observed shielding behavior is related to the presence of high Bi(3+) ions with heavy mass causing the observed stability of the optical absorption. Infrared absorption spectra of the studied glasses reveal characteristic vibrational bands due to both modes from silicate network and the sharing of Bi-O linkages and the presence of TMs in the doping level (0.2%) causes no distinct changes within the number or position of the vibrational modes. The presence of high Bi2O3 content (70 mol%) appears to cause stability of the structural building units towards gamma irradiation as revealed by FTIR measurements. Copyright © 2013 Elsevier B.V. All rights reserved.

Adsorption of transition metal ions from aqueous solutions onto a novel silica gel matrix inorganic-organic composite material.

PubMed

Yin, Ping; Xu, Qiang; Qu, Rongjun; Zhao, Guifang; Sun, Yanzhi

2010-01-15

A novel inorganic-organic composite material silica gel microspheres encapsulated by imidazole functionalized polystyrene (SG-PS-azo-IM) has been synthesized and characterized. This composite material was used to investigate the adsorption of Cr(III), Mn(II), Fe(III), Ni(II), Cu(II), Zn(II), Hg(II), Pb(II), Pd(II), Pt(II), Ag(I), and Au(III) from aqueous solutions, and the research results displayed that SG-PS-azo-IM has the highest adsorption capacity for Au(III). Langmuir and Freundlich isotherm models were applied to analyze the experimental data, the best interpretation for the experimental data was given by the Langmuir isotherm equation, and the maximum adsorption capacity for Au(III) is 1.700 mmol/g. The adsorption selectivity, the dynamic adsorption and desorption properties of SG-PS-azo-IM for Au(III) have also been studied. The results showed that SG-PS-azo-IM had excellent adsorption for Au(III) in four binary ions system, especially in the systems of Au(III)-Zn(II) and Au(III)-Cu(II), and almost Au(III) could be desorbed with the eluent solution of 0.5% thiourea in 1 mol/L HCl. Moreover, this novel composite material was used to preconcentrate Au(III) before its determination by flame atomic adsorption spectrometry. In the initial concentration range of 0.10-0.20 microg/mL, multiple of enrichment could reach 5.28. Thus, silica gel encapsulated by polystyrene coupling with imidazole (SG-PS-azo-IM) is favorable and useful for the removal of transition metal ions, and the high adsorption capacity makes it a good promising candidate material for Au(III) removal.

Sc–Zr–Nb–Rh–Pd and Sc–Zr–Nb–Ta–Rh–Pd High-Entropy Alloy Superconductors on a CsCl-Type Lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stolze, Karoline; Tao, Jing; von Rohr, Fabian O.

We have synthesized previously unreported High-Entropy Alloys (HEAs) in the pentanary (ScZrNb) 1-x[RhPd] x and hexanary (ScZrNbTa) 1-x[RhPd] x systems. The materials have CsCl-type structures and mixed site occupancies. Both HEAs are type-II superconductors with strongly varying critical temperatures (T cs) depending on the valence electron count (VEC); the T cs increase monotonically with decreasing VEC within each series, and do not follow the trends seen for either crystalline or amorphous transition metal superconductors. The (ScZrNb) 0.65[RhPd] 0.35 HEA with the highest T c, ~9.3 K, also exhibits the largest µ 0H c2(0) = 10.7 T. The pentanary and hexanarymore » HEAs have higher superconducting transition tempera-tures than their simple binary intermetallic relatives with the CsCl-type structure and a surprisingly ductile mechanical behavior. The presence of niobium, even at the 20% level, has a positive impact on the T c. Nevertheless, niobium-free (ScZr) 0.50[RhPd] 0.50, as mother-compound of both superconducting HEAs found here, is itself superconducting, proving that superconductivity is an intrinsic feature of the bulk material.« less

Sc–Zr–Nb–Rh–Pd and Sc–Zr–Nb–Ta–Rh–Pd High-Entropy Alloy Superconductors on a CsCl-Type Lattice

DOE PAGES

Stolze, Karoline; Tao, Jing; von Rohr, Fabian O.; ...

2018-01-17

We have synthesized previously unreported High-Entropy Alloys (HEAs) in the pentanary (ScZrNb) 1-x[RhPd] x and hexanary (ScZrNbTa) 1-x[RhPd] x systems. The materials have CsCl-type structures and mixed site occupancies. Both HEAs are type-II superconductors with strongly varying critical temperatures (T cs) depending on the valence electron count (VEC); the T cs increase monotonically with decreasing VEC within each series, and do not follow the trends seen for either crystalline or amorphous transition metal superconductors. The (ScZrNb) 0.65[RhPd] 0.35 HEA with the highest T c, ~9.3 K, also exhibits the largest µ 0H c2(0) = 10.7 T. The pentanary and hexanarymore » HEAs have higher superconducting transition tempera-tures than their simple binary intermetallic relatives with the CsCl-type structure and a surprisingly ductile mechanical behavior. The presence of niobium, even at the 20% level, has a positive impact on the T c. Nevertheless, niobium-free (ScZr) 0.50[RhPd] 0.50, as mother-compound of both superconducting HEAs found here, is itself superconducting, proving that superconductivity is an intrinsic feature of the bulk material.« less

Alloying effect on bright-dark exciton states in ternary monolayer Mo x W1-x Se2

NASA Astrophysics Data System (ADS)

Liu, Yanping; Tom, Kyle; Zhang, Xiaowei; Lou, Shuai; Liu, Yin; Yao, Jie

2017-07-01

Binary transition metal dichalcogenides (TMDCs) in the class MX2 (M = Mo, W; X = S, Se) have been widely investigated for potential applications in optoelectronics and nanoelectronics. Recently, alloy-based monolayers of TMDCs have provided a stable and versatile technique to tune the physical properties and optimize them for potential applications. Here, we present experimental evidence for the existence of an intermediate alloy state between the MoSe2-like and the WSe2-like behavior of the neutral exciton (X 0) using temperature-dependent photoluminescence (PL) of the monolayer Mo x W1-x Se2 alloy. The existence of a maximum PL intensity around 120 K can be explained by the competition between the thermally activated bright states and the non-radiative quenching of the bright states. Moreover, we also measured localized exciton (XB ) PL peak in the alloy and the observed behavior agrees well with a model previously proposed for the 3D case, which indicates the theory also applies to 2D systems. Our results not only shed light on bright-dark states and localized exciton physics of 2D semiconductors, but also offer a new route toward the control of the bright-dark transition and tailoring optical properties of 2D semiconductors through defect engineering.

Phase transitions in four-dimensional binary hard hypersphere mixtures

NASA Astrophysics Data System (ADS)

Bishop, Marvin; Whitlock, Paula A.

2013-02-01

Previous Monte Carlo investigations of binary hard hyperspheres in four-dimensional mixtures are extended to higher densities where the systems may solidify. The ratios of the diameters of the hyperspheres examined were 0.4, 0.5, and 0.6. Only the 0.4 system shows a clear two phase, solid-liquid transition and the larger component solidifies into a D4 crystal state. Its pair correlation function agrees with that of a one component fluid at an appropriately scaled density. The 0.5 systems exhibit states that are a mix of D4 and A4 regions. The 0.6 systems behave similarly to a jammed state rather than solidifying into a crystal. No demixing into two distinct fluid phases was observed for any of the simulations.

Phase-transition oscillations induced by a strongly focused laser beam

NASA Astrophysics Data System (ADS)

Devailly, Clémence; Crauste-Thibierge, Caroline; Petrosyan, Artyom; Ciliberto, Sergio

2015-11-01

We report the observation of a surprising phenomenon consisting in a oscillating phase transition which appears in a binary mixture when this is enlightened by a strongly focused infrared laser beam. The mixture is poly-methyl-meth-acrylate (PMMA)-3-octanone, which has an upper critical solution temperature at Tc=306.6 K and volume fraction ϕc=12.8 % [Crauste et al., arXiv:1310.6720, 2013]. We describe the dynamical properties of the oscillations, which are produced by a competition between various effects: the local accumulation of PMMA produced by the laser beam, thermophoresis, and nonlinear diffusion. We show that the main properties of this kind of oscillations can be reproduced in the Landau theory for a binary mixture in which a local driving mechanism, simulating the laser beam, is introduced.

Method of boronizing transition metal surfaces

DOEpatents

Koyama, Koichiro; Shimotake, Hiroshi.

1983-08-16

A method is presented for preparing a boride layer on a transition metal substrate for use in corrosive environments or as a harden surface in machine applications. This method is particularly useful in treating current collectors for use within a high temperature and corrosive electrochemical cell environment. A melt of a alkali metal boride tetrafluoride salt including such as KF to lower its melting point is prepared including a dissolved boron containing material, for instance NiB, MnB[sub 2], or CrB[sub 2]. A transition metal to be coated is immersed in the melt at a temperature of no more than 700 C and a surface boride layer of that transition metal is formed within a period of about 24 hours on the substrate surface. 4 figs.

Combined Analysis of the Binary Lens Caustic-crossing Event MACHO 98-SMC-1

NASA Astrophysics Data System (ADS)

Afonso, C.; Alard, C.; Albert, J. N.; Andersen, J.; Ansari, R.; Aubourg, É.; Bareyre, P.; Bauer, F.; Beaulieu, J. P.; Bouquet, A.; Char, S.; Charlot, X.; Couchot, F.; Coutures, C.; Derue, F.; Ferlet, R.; Glicenstein, J. F.; Goldman, B.; Gould, A.; Graff, D.; Gros, M.; Haissinski, J.; Hamilton, J. C.; Hardin, D.; de Kat, J.; Kim, A.; Lasserre, T.; Lesquoy, É.; Loup, C.; Magneville, C.; Marquette, J. B.; Maurice, É.; Milsztajn, A.; Moniez, M.; Palanque-Delabrouille, N.; Perdereau, O.; Prévot, L.; Regnault, N.; Rich, J.; Spiro, M.; Vidal-Madjar, A.; Vigroux, L.; Zylberajch, S.; Alcock, C.; Allsman, R. A.; Alves, D.; Axelrod, T. S.; Becker, A. C.; Cook, K. H.; Drake, A. J.; Freeman, K. C.; Griest, K.; King, L. J.; Lehner, M. J.; Marshall, S. L.; Minniti, D.; Peterson, B. A.; Pratt, M. R.; Quinn, P. J.; Rodgers, A. W.; Stetson, P. B.; Stubbs, C. W.; Sutherland, W.; Tomaney, A.; Vandehei, T.; Rhie, S. H.; Bennett, D. P.; Fragile, P. C.; Johnson, B. R.; Quinn, J.; Udalski, A.; Kubiak, M.; Szymański, M.; Pietrzyński, G.; Woźniak, P.; Zebruń, K.; Albrow, M. D.; Caldwell, J. A. R.; DePoy, D. L.; Dominik, M.; Gaudi, B. S.; Greenhill, J.; Hill, K.; Kane, S.; Martin, R.; Menzies, J.; Naber, R. M.; Pogge, R. W.; Pollard, K. R.; Sackett, P. D.; Sahu, K. C.; Vermaak, P.; Watson, R.; Williams, A.

2000-03-01

We fit the data for the binary lens microlensing event MACHO 98-SMC-1 from five different microlensing collaborations and find two distinct solutions characterized by binary separation d and mass ratio q: (d,q)=(0.54,0.50) and (d,q)=(3.65,0.36), where d is in units of the Einstein radius. However, the relative proper motion of the lens is very similar in the two solutions, 1.30 km s-1 kpc-1 and 1.48 km s-1 kpc-1, thus confirming that the lens is in the Small Magellanic Cloud. The close binary can be either rotating or approximately static but the wide binary must be rotating at close to its maximum allowed rate to be consistent with all the data. We measure limb-darkening coefficients for five bands ranging from I to V. As expected, these progressively decrease with rising wavelength. This is the first measurement of limb darkening for a metal-poor A star.

Black hole binaries dynamically formed in globular clusters

NASA Astrophysics Data System (ADS)

Park, Dawoo; Kim, Chunglee; Lee, Hyung Mok; Bae, Yeong-Bok; Belczynski, Krzysztof

2017-08-01

We investigate properties of black hole (BH) binaries formed in globular clusters via dynamical processes, using directN-body simulations. We pay attention to effects of BH mass function on the total mass and mass ratio distributions of BH binaries ejected from clusters. First, we consider BH populations with two different masses in order to learn basic differences from models with single-mass BHs only. Secondly, we consider continuous BH mass functions adapted from recent studies on massive star evolution in a low metallicity environment, where globular clusters are formed. In this work, we consider only binaries that are formed by three-body processes and ignore stellar evolution and primordial binaries for simplicity. Our results imply that most BH binary mergers take place after they get ejected from the cluster. Also, mass ratios of dynamically formed binaries should be close to 1 or likely to be less than 2:1. Since the binary formation efficiency is larger for higher-mass BHs, it is likely that a BH mass function sampled by gravitational-wave observations would be weighed towards higher masses than the mass function of single BHs for a dynamically formed population. Applying conservative assumptions regarding globular cluster populations such as small BH mass fraction and no primordial binaries, the merger rate of BH binaries originated from globular clusters is estimated to be at least 6.5 yr-1 Gpc-3. Actual rate can be up to more than several times of our conservative estimate.

Stable isotopes of transition and post-transition metals as tracers in environmental studies

USGS Publications Warehouse

Bullen, Thomas D.; Baskaran, Mark

2011-01-01

The transition and post-transition metals, which include the elements in Groups 3–12 of the Periodic Table, have a broad range of geological and biological roles as well as industrial applications and thus are widespread in the environment. Interdisciplinary research over the past decade has resulted in a broad understanding of the isotope systematics of this important group of elements and revealed largely unexpected variability in isotope composition for natural materials. Significant kinetic and equilibrium isotope fractionation has been observed for redox sensitive metals such as iron, chromium, copper, molybdenum and mercury, and for metals that are not redox sensitive in nature such as cadmium and zinc. In the environmental sciences, the isotopes are increasingly being used to understand important issues such as tracing of metal contaminant sources and fates, unraveling metal redox cycles, deciphering metal nutrient pathways and cycles, and developing isotope biosignatures that can indicate the role of biological activity in ancient and modern planetary systems.

Allylic amination reactivity of Ni, Pd, and Pt heterobimetallic and monometallic complexes.

PubMed

Carlsen, Ryan W; Ess, Daniel H

2016-06-14

Transition metal heterobimetallic complexes with dative metal-metal interactions have the potential for novel fast reactivity. There are few studies that both compare the reactivity of different metal centers in heterobimetallic complexes and compare bimetallic reactivity to monometallic reactivity. Here we report density-functional calculations that show the reactivity of [Cl2Ti(N(t)BuPPh2)2M(II)(η(3)-methallyl)] heterobimetallic complexes for allylic amination follows M = Ni > Pd > Pt. This reactivity trend was not anticipated since the amine addition transition state involves M(II) to M(0) reduction and this could disadvantage Ni. Comparison of heterobimetallic complexes to the corresponding monometallic (CH2)2(N(t)BuPPh2)2M(II)(η(3)-methallyl) complexes reveals that this reactivity trend is due to the bimetallic interaction and that the bimetallic interaction significantly lowers the barrier height for amine addition by >10 kcal mol(-1). The impact of the early transition metal center on the amination addition barrier height depends on the late transition metal center. The lowest barrier heights for this reaction occur when late and early transition metal centers are from the same periodic table row.

Transition-metal-ion-mediated polymerization of dopamine: mussel-inspired approach for the facile synthesis of robust transition-metal nanoparticle-graphene hybrids.

PubMed

Yang, Liping; Kong, Junhua; Zhou, Dan; Ang, Jia Ming; Phua, Si Lei; Yee, Wu Aik; Liu, Hai; Huang, Yizhong; Lu, Xuehong

2014-06-16

Inspired by the high transition-metal-ion content in mussel glues, and the cross-linking and mechanical reinforcement effects of some transition-metal ions in mussel threads, high concentrations of nickel(II), cobalt(II), and manganese(II) ions have been purposely introduced into the reaction system for dopamine polymerization. Kinetics studies were conducted for the Ni(2+)-dopamine system to investigate the polymerization mechanism. The results show that the Ni(2+) ions could accelerate the assembly of dopamine oligomers in the polymerization process. Spectroscopic and electron microscopic studies reveal that the Ni(2+) ions are chelated with polydopamine (PDA) units, forming homogeneous Ni(2+)-PDA complexes. This facile one-pot approach is utilized to construct transition-metal-ion-PDA complex thin coatings on graphene oxide, which can be carbonized to produce robust hybrid nanosheets with well-dispersed metallic nickel/metallic cobalt/manganese(II) oxide nanoparticles embedded in PDA-derived thin graphitic carbon layers. The nickel-graphene hybrid prepared by using this approach shows good catalytic properties and recyclability for the reduction of p-nitrophenol. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Metal Transport across Biomembranes: Emerging Models for a Distinct Chemistry*

PubMed Central

Argüello, José M.; Raimunda, Daniel; González-Guerrero, Manuel

2012-01-01

Transition metals are essential components of important biomolecules, and their homeostasis is central to many life processes. Transmembrane transporters are key elements controlling the distribution of metals in various compartments. However, due to their chemical properties, transition elements require transporters with different structural-functional characteristics from those of alkali and alkali earth ions. Emerging structural information and functional studies have revealed distinctive features of metal transport. Among these are the relevance of multifaceted events involving metal transfer among participating proteins, the importance of coordination geometry at transmembrane transport sites, and the presence of the largely irreversible steps associated with vectorial transport. Here, we discuss how these characteristics shape novel transition metal ion transport models. PMID:22389499

Metal transport across biomembranes: emerging models for a distinct chemistry.

PubMed

Argüello, José M; Raimunda, Daniel; González-Guerrero, Manuel

2012-04-20

Transition metals are essential components of important biomolecules, and their homeostasis is central to many life processes. Transmembrane transporters are key elements controlling the distribution of metals in various compartments. However, due to their chemical properties, transition elements require transporters with different structural-functional characteristics from those of alkali and alkali earth ions. Emerging structural information and functional studies have revealed distinctive features of metal transport. Among these are the relevance of multifaceted events involving metal transfer among participating proteins, the importance of coordination geometry at transmembrane transport sites, and the presence of the largely irreversible steps associated with vectorial transport. Here, we discuss how these characteristics shape novel transition metal ion transport models.

Spinel-structured metal oxide on a substrate and method of making same by molecular beam epitaxy

DOEpatents

Chambers, Scott A.

2006-02-21

A method of making a spinel-structured metal oxide on a substrate by molecular beam epitaxy, comprising the step of supplying activated oxygen, a first metal atom flux, and at least one other metal atom flux to the surface of the substrate, wherein the metal atom fluxes are individually controlled at the substrate so as to grow the spinel-structured metal oxide on the substrate and the metal oxide is substantially in a thermodynamically stable state during the growth of the metal oxide. A particular embodiment of the present invention encompasses a method of making a spinel-structured binary ferrite, including Co ferrite, without the need of a post-growth anneal to obtain the desired equilibrium state.

Electroforming and Switching in Oxides of Transition Metals: The Role of Metal Insulator Transition in the Switching Mechanism

NASA Astrophysics Data System (ADS)

Chudnovskii, F. A.; Odynets, L. L.; Pergament, A. L.; Stefanovich, G. B.

1996-02-01

Electroforming and switching effects in sandwich structures based on anodic films of transition metal oxides (V, Nb, Ti, Fe, Ta, W, Zr, Hf, Mo) have been studied. After being electroformed, some materials exhibited current-controlled negative resistance with S-shapedV-Icharacteristics. For V, Fe, Ti, and Nb oxides, the temperature dependences of the threshold voltage have been measured. As the temperature increased,Vthdecreased to zero at a critical temperatureT0, which depended on the film material. Comparison of theT0values with the temperatures of metal-insulator phase transition for some compounds (Tt= 120 K for Fe3O4, 340 K for VO2, ∼500 K for Ti2O3, and 1070 K for NbO2) showed that switching was related to the transition in the applied electric field. Channels consisting of the above-mentioned lower oxides were formed in the initial anodic films during the electroforming. The possibility of formation of these oxides with a metal-insulator transition was confirmed by thermodynamic calculations.

Processing and synthesis of multi-metallic nano oxide ceramics via liquid-feed flame spray pyrolysis

NASA Astrophysics Data System (ADS)

Azurdia, Jose Antonio

The liquid-feed flame spray pyrolysis (LF-FSP) process aerosolizes metal-carboxylate precursors dissolved in alcohol with oxygen and combusts them at >1500°C. The products are quenched rapidly (˜10s msec) to < 400°C. By selecting the appropriate precursor mixtures, the compositions of the resulting oxide nanopowders can be tailored easily, which lends itself to combinatorial studies of systems facilitating material property optimization. The resulting nanopowders typically consist of single crystal particles with average particle sizes (APS) < 35 nm, specific surface areas (SSA) of 20-60 m2/g and spherical morphology. LF-FSP provides access to novel single phase nanopowders, known phases at compositions outside their published phase diagrams, intimate mixing at nanometer length scales in multi metallic oxide nanopowders, and control of stoichiometry to ppm levels. The materials produced may exhibit unusual properties including structural, catalytic, and photonic ones and lower sintering temperatures. Prior studies used LF-FSP to produce MgAl2O4 spinel for applications in transparent armor and IR radomes. In these studies, a stable spinel structure with a (MgO)0.1(Al2O3)0.9 composition well outside the known phase field was observed. The work reported here extends this observation to two other spinel systems: Al2O3-NiO, Al2O3-CoOx; followed by three series of transition metal binary oxides, NiO-CoO, NiO-MoO3, NiO-CuO. The impetus to study spinels derives both from the fact that a number of them are known transparent ceramics, but also others offer high SSAs coupled with unusual phases that suggest potentially novel catalytic materials. Because LF-FSP provides access to any composition, comprehensive studies of the entire tie-lines were conducted rather than just compositions of value for catalytic applications. Initial efforts established baseline properties for the nano aluminate spinels, then three binary transition metal oxide sets (Ni-Co, Ni-Mo and Ni-Cu) known for their catalytic properties. These materials then serve as baseline studies for ternary systems, such as Al:(Ni-Co)O, or Al(Ni-Cu)O likely to offer superior catalytic properties because of the relatively high SSA Al2O3. The final chapter returns to photonic materials, in the MgO-Y2O 3 system targeting transparent ceramics through select compositions along the tie-line. The work presented here builds on the MgAl2O 4 spinel material and continues to develop the processing techniques required to achieve transparent nano-grained ceramic materials. Thus the overall goal of this dissertation was to systematically produce novel nano-oxide materials and characterized their material properties. The first chapters focus on solid solutions at low Ni or Co amounts that form phase pure spinels outside the expected composition range, at 21-22 mol % NiO and CoO. Additionally, (NiO)0.22(Al2O3) 0.78 was found to be very stable, as it did not convert to alpha-Al 2O3 plus cubic-NiO on heating to 1200°C for 10 h. The last chapter is a preliminary step toward identifying optimal Y 2O3-MgO powders that can be transparent ceramics. Ball milling led to much higher adsorption of surface species. Preliminary sintering studies of the this system showed that vacuum has the largest effect on lowering the temperature of maximum shrinkage rate by ≤ 80°C.

One-step synthesis of 2D-layered carbon wrapped transition metal nitrides from transition metal carbides (MXenes) for supercapacitors with ultrahigh cycling stability.

PubMed

Yuan, Wenyu; Cheng, Laifei; Wu, Heng; Zhang, Yani; Lv, Shilin; Guo, Xiaohui

2018-03-13

A novel one-step method to synthesize 2D carbon wrapped TiN (C@TiN) was proposed via using 2D metal carbides (MXenes) as precursors. This study provides a novel approach to synthesize carbon wrapped metal nitrides.

Electrical Conductivity in Transition Metals

ERIC Educational Resources Information Center

Talbot, Christopher; Vickneson, Kishanda

2013-01-01

The aim of this "Science Note" is to describe how to test the electron-sea model to determine whether it accurately predicts relative electrical conductivity for first-row transition metals. In the electron-sea model, a metal crystal is viewed as a three-dimensional array of metal cations immersed in a sea of delocalised valence…

Molecular orbital (SCF-Xα-SW) theory of metal-metal charge transfer processes in minerals

USGS Publications Warehouse

Sherman, David M.

1987-01-01

Electronic transitions between the Fe-Fe bonding and Fe-Fe antibonding orbitals results in the optically-induced intervalence charge transfer bands observed in the electronic spectra of mixed valence minerals. Such transitions are predicted to be polarized along the metal-metal bond direction, in agreement with experimental observations.

Engineering an Insulating Ferroelectric Superlattice with a Tunable Band Gap from Metallic Components

NASA Astrophysics Data System (ADS)

Ghosh, Saurabh; Borisevich, Albina Y.; Pantelides, Sokrates T.

2017-10-01

The recent discovery of "polar metals" with ferroelectriclike displacements offers the promise of designing ferroelectrics with tunable energy gaps by inducing controlled metal-insulator transitions. Here we employ first-principles calculations to design a metallic polar superlattice from nonpolar metal components and show that controlled intermixing can lead to a true insulating ferroelectric with a tunable band gap. We consider a 2 /2 superlattice made of two centrosymmetric metallic oxides, La0.75 Sr0.25 MnO3 and LaNiO3 , and show that ferroelectriclike displacements are induced. The ferroelectriclike distortion is found to be strongly dependent on the carrier concentration (Sr content). Further, we show that a metal-to-insulator (MI) transition is feasible in this system via disproportionation of the Ni sites. Such a disproportionation and, hence, a MI transition can be driven by intermixing of transition metal ions between Mn and Ni layers. As a result, the energy gap of the resulting ferroelectric can be tuned by varying the degree of intermixing in the experimental fabrication method.

Bimetallic strip for low temperature use. [4-300/sup 0/K

DOEpatents

Bussiee, J.F.; Welch, D.O.; Suenaga, M.

A class of mechanically pre-stressed structures is provided suitably bi-layer strips, consisting of a layer of group 5 transition metals in intimate contact with a layer of an intermetallic compound of transition metals with certain group 3A, 4A or 5A metals or metalloids such as Ga, In, Si, Ge, Sn, As or Sb. The changes of Young's modulus of these bi-layered combinations at temperatures in the region of somewhat above absolute zero provides a useful means of sensing temperature changes. Such bi-metallic strips may be used as control strips in thermostats, or in direct dial reading instruments. The structures are made by preparing a sandwich of a group 5B transition metal strip between the substantially thicker strips of an alloy between copper and a predetermined group 3A, 4A or 5A metal or metalloid, holding the three layers are heated, cooled the copper alloys and is removed. Removing one of the two formed interlayer alloys between the transition metal and the metal previously alloyed with copper remain.

Bimetallic strip for low temperature use

DOEpatents

Bussiere, Jean F.; Welch, David O.; Suenaga, Masaki

1981-01-01

There is provided a class of mechanically pre-stressed structures, suitably bi-layer strips comprising a layer of group 5 transition metals in intimate contact with a layer of an intermetallic compound of said transition metals with certain group 3A, 4A or 5A metals or metalloids suitably gallium, indium, silicon, germanium, tin, arsenic or antimony. The changes of Young's modulus of these bi-layered combinations at temperatures in the region of but somewhat above absolute zero provides a useful means of sensing temperature changes. Such bi-metallic strips may be used as control strips in thermostats, in direct dial reading instruments, or the like. The structures are made by preparing a sandwich of a group 5B transition metal strip between the substantially thicker strips of an alloy between copper and a predetermined group 3A, 4A or 5A metal or metalloid, holding the three layers of the sandwich in intimate contact heating the same, cooling the same and removing the copper alloy and then removing one of the two thus formed interlayer alloys between said transition metal and the metal previously alloyed with copper.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parkes, Marie V.; Sava Gallis, Dorina F.; Greathouse, Jeffery A.

Computational screening of metal-organic framework (MOF) materials for selective oxygen adsorption from air could lead to new sorbents for the oxyfuel combustion process feedstock streams. A comprehensive study on the effect of MOF metal chemistry on gas binding energies in two common but structurally disparate metal-organic frameworks has been undertaken. Dispersion-corrected density functional theory methods were used to calculate the oxygen and nitrogen binding energies with each of fourteen metals, respectively, substituted into two MOF series, M 2(dobdc) and M 3(btc) 2. The accuracy of DFT methods was validated by comparing trends in binding energy with experimental gas sorption measurements.more » A periodic trend in oxygen binding energies was found, with greater oxygen binding energies for early transition-metal-substituted MOFs compared to late transition metal MOFs; this was independent of MOF structural type. The larger binding energies were associated with oxygen binding in a side-on configuration to the metal, with concomitant lengthening of the O-O bond. In contrast, nitrogen binding energies were similar across the transition metal series, regardless of both MOF structural type and metal identity. Altogether, these findings suggest that early transition metal MOFs are best suited to separating oxygen from nitrogen, and that the MOF structural type is less important than the metal identity.« less

High Temperature Reactions of Uranium Dioxide with Various Metal Oxides

DTIC Science & Technology

1956-02-20

manganese, nickel , lead, and tin. Subtracting the total of these impurities from the oxygen remainder would give a more nearly 1:2 uranium -oxygen ratio. The...Astin, Dire~ctor High -Temperature Reactions of Uranium Dioxide With Various Metal Oxides Acceson For NTIS CRAWI DTfC TAB Unannounced D JustifiCation...1 2. The uranium -oxygen system ------------------------------------- 1 3. Binary systems containing

Using HMXBs to Probe Massive Binary Evolution

NASA Astrophysics Data System (ADS)

Garofali, Kristen

2017-09-01

We propose using deep archival Chandra data of M33 to characterize the distribution of physical parameters for the high-mass X-ray binary (HMXB) population from X-ray spectra, X-ray lightcurves, and identified optical counterparts coupled with ground-based spectroscopy. Our analysis will provide the largest clean sample of HMXBs in M33, including hardness, short- and long-term variability, luminosity, and ages. These measurements will be compared across M33 and to HMXB studies in other nearby galaxies to test correlations between HMXB population and host properties such as metallicity and star formation rate. Furthermore, our measurements will yield empirical constraints on prescriptions for models of the formation and evolution of massive stars in binaries.

Estimation of the viscosities of liquid binary alloys

NASA Astrophysics Data System (ADS)

Wu, Min; Su, Xiang-Yu

2018-01-01

As one of the most important physical and chemical properties, viscosity plays a critical role in physics and materials as a key parameter to quantitatively understanding the fluid transport process and reaction kinetics in metallurgical process design. Experimental and theoretical studies on liquid metals are problematic. Today, there are many empirical and semi-empirical models available with which to evaluate the viscosity of liquid metals and alloys. However, the parameter of mixed energy in these models is not easily determined, and most predictive models have been poorly applied. In the present study, a new thermodynamic parameter Δ G is proposed to predict liquid alloy viscosity. The prediction equation depends on basic physical and thermodynamic parameters, namely density, melting temperature, absolute atomic mass, electro-negativity, electron density, molar volume, Pauling radius, and mixing enthalpy. Our results show that the liquid alloy viscosity predicted using the proposed model is closely in line with the experimental values. In addition, if the component radius difference is greater than 0.03 nm at a certain temperature, the atomic size factor has a significant effect on the interaction of the binary liquid metal atoms. The proposed thermodynamic parameter Δ G also facilitates the study of other physical properties of liquid metals.

The Bulgarian Contribution to the Study of variable stars on observational data from the Kepler mission

NASA Astrophysics Data System (ADS)

Kjurkchieva, D. P.; Dimitrov, D. P.; Radeva, V. S.; Vasileva, D. L.; Atanasova, T. V.; Stateva, I. V.; Petrov, N. I.; Iliev, I. Kh.

2018-02-01

This review paper presents the results of investigations of variable stars obtained by Bulgarian astronomers based on observations of Kepler mission. The main contributions are: determination of orbits and global parameters of more than 100 binary stars; creation of the largest catalog of eccentric stars; identification of sixty new binaries with eccentricity over 0.5; discovery of 19 heartbeat stars; detailed investigation of the spot and flare activity of several binary stars; asteroseismic study of three pulsating stars; detection of deep transits of WD 1145+017 due to its disentangling planet system. The paper illustrates not only scientific significance but also educational and social impact of the work on these tasks.

Success and Failure in Secondary Education: Socio-Economic Background Effects on Secondary School Outcome in the Netherlands, 1927-1998

ERIC Educational Resources Information Center

Tieben, Nicole; Wolbers, Maarten

2010-01-01

In the Netherlands, educational attainment is the result of a sequence of separate educational transitions. Because of the tracked nature of the Dutch educational system, students do not make binary stay-or-leave-decisions at each transition. After having entered one track of secondary education, students can change tracks during the entire…

Uncharged positive electrode composition

DOEpatents

Kaun, Thomas D.; Vissers, Donald R.; Shimotake, Hiroshi

1977-03-08

An uncharged positive-electrode composition contains particulate lithium sulfide, another alkali metal or alkaline earth metal compound other than sulfide, e.g., lithium carbide, and a transition metal powder. The composition along with a binder, such as electrolytic salt or a thermosetting resin is applied onto an electrically conductive substrate to form a plaque. The plaque is assembled as a positive electrode within an electrochemical cell opposite to a negative electrode containing a material such as aluminum or silicon for alloying with lithium. During charging, lithium alloy is formed within the negative electrode and transition metal sulfide such as iron sulfide is produced within the positive electrode. Excess negative electrode capacity over that from the transition metal sulfide is provided due to the electrochemical reaction of the other than sulfide alkali metal or alkaline earth metal compound.

Self-assembly of noble metal monolayers on transition metal carbide nanoparticle catalysts

DOE PAGES

Hunt, Sean T.; Milina, Maria; Alba-Rubio, Ana C.; ...

2016-05-20

Here, we demonstrated the self-assembly of transition metal carbide nanoparticles coated with atomically thin noble metal monolayers by carburizing mixtures of noble metal salts and transition metal oxides encapsulated in removable silica templates. This approach allows for control of the final core-shell architecture, including particle size, monolayer coverage, and heterometallic composition. Carbon-supported Ti 0.1W 0.9C nanoparticles coated with Pt or bimetallic PtRu monolayers exhibited enhanced resistance to sintering and CO poisoning, achieving an order of magnitude increase in specific activity over commercial catalysts for methanol electrooxidation after 10,000 cycles. These core-shell materials provide a new direction to reduce the loading,more » enhance the activity, and increase the stability of noble metal catalysts.« less

The formation efficiency of different generations of HMXBs in the low metallicity environment of the SMC

NASA Astrophysics Data System (ADS)

Antoniou, Vallia; Zezas, Andreas; Drake, Jeremy J.; Badenes, Carles; Hong, Jaesub; SMC XVP Collaboration

2018-01-01

Nearby star-forming galaxies offer a unique environment to study the populations of young (<100 Myr) X-ray binaries, which consist of a compact object - typically a neutron star or a black hole - powered by accretion from a companion star. These systems are tracers of past populations of massive stars that heavily affect their immediate environment and parent galaxies. The Small Magellanic Cloud (SMC) is the ideal environment for population studies of young X-ray binaries by providing us with what the Milky Way cannot: A complete sample of X-ray sources within a galaxy. Using a Chandra X-ray Visionary program, we investigate the young neutron-star binary population in this low-metallicity, nearby, star-forming galaxy by reaching quiescent X-ray luminosity levels (~few times 1032 erg/s). In this talk, I will present the first measurement of the formation efficiency of high-mass X-ray binaries (HMXBs) as a function of the age of their parent stellar populations. We use three indicators of the formation efficiency of young accreting binaries in the low SMC metallicity: the number ratio of the HMXBs, N(HMXBs), to the number of OB stars, to the star-formation rate (SFR), and to the stellar mass produced during the specific star-formation burst they are associated with, all as a function of the age of their parent stellar populations. In all cases, we find that the HMXB formation efficiency increases as a function of time up to ~40—60 Myr, and then gradually decreases. The peak formation efficiency N(HMXB)/SFR is in good agreement with previous estimates of the average formation efficiency in the broad ~20—60 Myr age range, and a factor of at least ~8 and ~4 higher than the formation efficiency in earlier (~10 Myr) and later (~260 Myr) epochs. I will also present the deepest luminosity function ever recorded for a galaxy, and discuss the X-ray properties of the largest sample of extragalactic accreting pulsars as well.

The EBLM project. I. Physical and orbital parameters, including spin-orbit angles, of two low-mass eclipsing binaries on opposite sides of the brown dwarf limit

NASA Astrophysics Data System (ADS)

Triaud, A. H. M. J.; Hebb, L.; Anderson, D. R.; Cargile, P.; Collier Cameron, A.; Doyle, A. P.; Faedi, F.; Gillon, M.; Gomez Maqueo Chew, Y.; Hellier, C.; Jehin, E.; Maxted, P.; Naef, D.; Pepe, F.; Pollacco, D.; Queloz, D.; Ségransan, D.; Smalley, B.; Stassun, K.; Udry, S.; West, R. G.

2013-01-01

This paper introduces a series of papers aiming to study the dozens of low-mass eclipsing binaries (EBLM), with F, G, K primaries, that have been discovered in the course of the WASP survey. Our objects are mostly single-line binaries whose eclipses have been detected by WASP and were initially followed up as potential planetary transit candidates. These have bright primaries, which facilitates spectroscopic observations during transit and allows the study of the spin-orbit distribution of F, G, K+M eclipsing binaries through the Rossiter-McLaughlin effect. Here we report on the spin-orbit angle of WASP-30b, a transiting brown dwarf, and improve its orbital parameters. We also present the mass, radius, spin-orbit angle and orbital parameters of a new eclipsing binary, J1219-39b (1SWAPJ121921.03-395125.6, TYC 7760-484-1), which, with a mass of 95 ± 2 Mjup, is close to the limit between brown dwarfs and stars. We find that both objects have projected spin-orbit angles aligned with their primaries' rotation. Neither primaries are synchronous. J1219-39b has a modestly eccentric orbit and is in agreement with the theoretical mass-radius relationship, whereas WASP-30b lies above it. Using WASP-South photometric observations (Sutherland, South Africa) confirmed with radial velocity measurement from the CORALIE spectrograph, photometry from the EulerCam camera (both mounted on the Swiss 1.2 m Euler Telescope), radial velocities from the HARPS spectrograph on the ESO's 3.6 m Telescope (prog ID 085.C-0393), and photometry from the robotic 60 cm TRAPPIST telescope, all located at ESO, La Silla, Chile. The data is publicly available at the CDS Strasbourg and on demand to the main author.Tables A.1-A.3 are available in electronic form at http://www.aanda.orgPhotometry tables are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/549/A18

First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction

NASA Astrophysics Data System (ADS)

Schüler, M.; van Loon, E. G. C. P.; Katsnelson, M. I.; Wehling, T. O.

2018-04-01

While the Hubbard model is the standard model to study Mott metal-insulator transitions, it is still unclear to what extent it can describe metal-insulator transitions in real solids, where nonlocal Coulomb interactions are always present. By using a variational principle, we clarify this issue for short- and long-range nonlocal Coulomb interactions for half-filled systems on bipartite lattices. We find that repulsive nonlocal interactions generally stabilize the Fermi-liquid regime. The metal-insulator phase boundary is shifted to larger interaction strengths to leading order linearly with nonlocal interactions. Importantly, nonlocal interactions can raise the order of the metal-insulator transition. We present a detailed analysis of how the dimension and geometry of the lattice as well as the temperature determine the critical nonlocal interaction leading to a first-order transition: for systems in more than two dimensions with nonzero density of states at the Fermi energy the critical nonlocal interaction is arbitrarily small; otherwise, it is finite.

Wafer-scale growth of VO2 thin films using a combinatorial approach

PubMed Central

Zhang, Hai-Tian; Zhang, Lei; Mukherjee, Debangshu; Zheng, Yuan-Xia; Haislmaier, Ryan C.; Alem, Nasim; Engel-Herbert, Roman

2015-01-01

Transition metal oxides offer functional properties beyond conventional semiconductors. Bridging the gap between the fundamental research frontier in oxide electronics and their realization in commercial devices demands a wafer-scale growth approach for high-quality transition metal oxide thin films. Such a method requires excellent control over the transition metal valence state to avoid performance deterioration, which has been proved challenging. Here we present a scalable growth approach that enables a precise valence state control. By creating an oxygen activity gradient across the wafer, a continuous valence state library is established to directly identify the optimal growth condition. Single-crystalline VO2 thin films have been grown on wafer scale, exhibiting more than four orders of magnitude change in resistivity across the metal-to-insulator transition. It is demonstrated that ‘electronic grade' transition metal oxide films can be realized on a large scale using a combinatorial growth approach, which can be extended to other multivalent oxide systems. PMID:26450653

Photocatalytic fluoroalkylation reactions of organic compounds.

PubMed

Barata-Vallejo, Sebastián; Bonesi, Sergio M; Postigo, Al

2015-12-14

Photocatalytic methods for fluoroalkyl-radical generation provide more convenient alternatives to the classical perfluoroalkyl-radical (Rf) production through chemical initiators, such as azo or peroxide compounds or the employment of transition metals through a thermal electron transfer (ET) initiation process. The mild photocatalytic reaction conditions tolerate a variety of functional groups and, thus, are handy to the late-stage modification of bioactive molecules. Transition metal-photocatalytic reactions for Rf radical generation profit from the redox properties of coordinatively saturated Ru or Ir organocomplexes to act as both electron donor and reductive species, thus allowing for the utilization of electron accepting and donating fluoroalkylating agents for Rf radical production. On the other hand, laboratory-available and inexpensive photoorgano catalysts (POC), in the absence of transition metals, can also act as electron exchange species upon excitation, resulting in ET reactions that produce Rf radicals. In this work, a critical account of transition metal and transition metal-free Rf radical production will be described with photoorgano catalysts, studying classical examples and the most recent investigations in the field.

First-principles simulations of transition metal ions in silicon as potential quantum bits

NASA Astrophysics Data System (ADS)

Ma, He; Seo, Hosung; Galli, Giulia

Optically active spin defects in semiconductors have gained increasing attention in recent years for use as potential solid-state quantum bits (or qubits). Examples include the nitrogen-vacancy center in diamond, transition metal impurities, and rare earth ions. In this talk, we present first-principles theoretical results on group 6 transition metal ion (Chromium, Molybdenum and Tungsten) impurities in silicon, and we investigate their potential use as qubits. We used density functional theory (DFT) to calculate defect formation energies and we found that transition metal ions have lower formation energies at interstitial than substitutional sites. We also computed the electronic structure of the defects with particular attention to the position of the defect energy levels with respect to the silicon band edges. Based on our results, we will discuss the possibility of implementing qubits in silicon using group 6 transition metal ions. This work is supported by the National Science Foundation (NSF) through the University of Chicago MRSEC under Award Number DMR-1420709.

Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds

NASA Astrophysics Data System (ADS)

Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.

2017-10-01

The incorporation of transition metals into hybrid uranyl materials can result in more diverse structural topologies and variations in physical and chemical properties. To explore the impact of transition metals on the uranyl cation, five uranium containing bimetallic chain compounds, [(UO2)M(PDC)2(H2O)4]·4(H2O) (PDC = 2,6 pyridinedicarboxylate; M = Ni2+, Co2+, Fe2+, Zn2+, and Cu2+) were synthesized by evaporation of aqueous solutions at room temperature. The uranyl cation is complex by two PDC ligands and the transition metal cations bond to the complex to form a one-dimensional chain topology. The presence of the transition metal leads to the presence of a stronger uranyl oxo bonds as shown by the single-crystal X-ray diffraction data and the Raman spectra. Solid state diffuse reflectance UV/Visible spectra confirmed the presence of the transition metals in the structure by the broad bands that appeared at relevant wavelengths.

Catalytic membranes for fuel cells

DOEpatents

Liu, Di-Jia [Naperville, IL; Yang, Junbing [Bolingbrook, IL; Wang, Xiaoping [Naperville, IL

2011-04-19

A fuel cell of the present invention comprises a cathode and an anode, one or both of the anode and the cathode including a catalyst comprising a bundle of longitudinally aligned graphitic carbon nanotubes including a catalytically active transition metal incorporated longitudinally and atomically distributed throughout the graphitic carbon walls of said nanotubes. The nanotubes also include nitrogen atoms and/or ions chemically bonded to the graphitic carbon and to the transition metal. Preferably, the transition metal comprises at least one metal selected from the group consisting of Fe, Co, Ni, Mn, and Cr.

Recent advances in transition metal-catalyzed N -atom transfer reactions of azides

PubMed Central

Driver, Tom G.

2011-01-01

Transition metal-catalyzed N-atom transfer reactions of azides provide efficient ways to construct new carbon–nitrogen and sulfur–nitrogen bonds. These reactions are inherently green: no additive besides catalyst is needed to form the nitrenoid reactive intermediate, and the by-product of the reaction is environmentally benign N2 gas. As such, azides can be useful precursors for transition metal-catalyzed N-atom transfer to sulfides, olefins and C–H bonds. These methods offer competitive selectivities and comparable substrate scope as alternative processes to generate metal nitrenoids. PMID:20617243

Covalence of atoms in the heavier transition metals*

PubMed Central

Pauling, Linus

1977-01-01

The observed magnetic properties of the heavier transition metals permit them to have larger metallic valences than their iron-group congeners. With 0.72 metallic orbital, as found for the iron-group metals, the maximum metallic valence and minimum interatomic distance would occur for 8.28 transargononic electrons. The curves of observed interatomic distances for the close-packed metals of the second and third long periods have minima at this point, supporting the assignment of high valences to these metals. Values of the single-bond radii corresponding to these valences are calculated. PMID:16592407

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuncarayakti, Hanindyo; Maeda, Keiichi; Doi, Mamoru

Integral field spectroscopy of 11 Type Ib/Ic supernova (SN Ib/Ic) explosion sites in nearby galaxies has been obtained using UH88/SNIFS and Gemini-N/GMOS. The use of integral field spectroscopy enables us to obtain both spatial and spectral information about the explosion site, enabling the identification of the parent stellar population of the SN progenitor star. The spectrum of the parent population provides metallicity determination via strong-line method and age estimation obtained via comparison with simple stellar population models. We adopt this information as the metallicity and age of the SN progenitor, under the assumption that it was coeval with the parentmore » stellar population. The age of the star corresponds to its lifetime, which in turn gives the estimate of its initial mass. With this method we were able to determine both the metallicity and initial (zero-age main sequence) mass of the progenitor stars of SNe Ib and Ic. We found that on average SN Ic explosion sites are more metal-rich and younger than SN Ib sites. The initial mass of the progenitors derived from parent stellar population age suggests that SN Ic has more massive progenitors than SN Ib. In addition, we also found indication that some of our SN progenitors are less massive than {approx}25 M{sub Sun }, indicating that they may have been stars in a close binary system that have lost their outer envelope via binary interactions to produce SNe Ib/Ic, instead of single Wolf-Rayet stars. These findings support the current suggestions that both binary and single progenitor channels are in effect in producing SNe Ib/Ic. This work also demonstrates the power of integral field spectroscopy in investigating SN environments and active star-forming regions.« less

Tunable synthesis and acetylation of dendrimer-entrapped or dendrimer-stabilized gold-silver alloy nanoparticles.

PubMed

Liu, Hui; Shen, Mingwu; Zhao, Jinglong; Guo, Rui; Cao, Xueyan; Zhang, Guixiang; Shi, Xiangyang

2012-06-01

In this study, amine-terminated generation 5 poly(amidoamine) dendrimers were used as templates or stabilizers to synthesize dendrimer-entrapped or dendrimer-stabilized Au-Ag alloy nanoparticles (NPs) with different gold atom/silver atom/dendrimer molar ratios with the assistance of sodium borohydride reduction chemistry. Following a one-step acetylation reaction to transform the dendrimer terminal amines to acetyl groups, a series of dendrimer-entrapped or dendrimer-stabilized Au-Ag alloy NPs with terminal acetyl groups were formed. The formed Au-Ag alloy NPs before and after acetylation reaction were characterized using different techniques. We showed that the optical property and the size of the bimetallic NPs were greatly affected by the metal composition. At the constant total metal atom/dendrimer molar ratio, the size of the alloy NPs decreased with the gold content. The formed Au-Ag alloy NPs were stable at different pH (pH 5-8) and temperature (4-50°C) conditions. X-ray absorption coefficient measurements showed that the attenuation of the binary NPs was dependent on both the gold content and the surface modification. With the increase of gold content in the binary NPs, their X-ray attenuation intensity was significantly enhanced. At a given metal composition, the X-ray attenuation intensity of the binary NPs was enhanced after acetylation. Cytotoxicity assays showed that after acetylation, the cytocompatibility of Au-Ag alloy NPs was significantly improved. With the controllable particle size and optical property, metal composition-dependent X-ray attenuation characteristics, and improved cytocompatibility after acetylation, these dendrimer-entrapped or dendrimer-stabilized Au-Ag alloy NPs should have a promising potential for CT imaging and other biomedical applications. Copyright © 2012 Elsevier B.V. All rights reserved.

Short and Medium-Range Order in Liquid Ternary Al80Co10Ni10, Al72.5Co14.5Ni13, and Al65Co17.5Ni17.5 Alloys

NASA Astrophysics Data System (ADS)

Roik, Oleksandr S.; Samsonnikov, Oleksiy; Kazimirov, Volodymyr; Sokolskii, Volodymyr

2010-01-01

A local short-to-intermediate range order of liquid Al80Co10Ni10, Al72.5Co14.5Ni13, and Al65Co17.5Ni17.5 alloys was examined by X-ray diffraction and the reverse Monte Carlo modelling. The comprehensive analysis of three-dimensional models of the liquid ternary alloys was performed by means of the Voronoi-Delaunay method. The existence of a prepeak on the S(Q) function of the liquid alloys is caused by medium range ordering of 3d-transition metal atoms in dense-packed polytetrahedral clusters at temperatures close to the liquidus. The non-crystalline clusters, represented by aggregates of pentagons that consist of good tetrahedra, and chemical short-range order lead to the formation of the medium range order in the liquid binary Al-Ni, Al-Co and ternary Al-Ni-Co alloys.

Analysis of metal transfer in gas metal arc welding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Y.S.; Eager, T.W.

1993-06-01

Droplet sizes produced in GMAW are predicted using both the static force balance theory and the pinch instability theory as a function of welding current, and the results are compared with experimental measurements. The causes for the deviation of predicted droplet size from measured size are discussed with suggestions for modification of the theories in order to more accurately model metal transfer in GMAW. The mechanism of repelled metal transfer is also discussed. The transition of metal transfer mode has been considered as a critical phenomenon which changes dramatically over a narrow range of welding current. This transition has beenmore » investigated experimentally using high-speed videography which shows that the transition is much more gradual than is generally believed. The mechanism of the transition is discussed using a modified static force balance theory.« less

Superconducting Metallic Glass Transition-Edge-Sensors

NASA Technical Reports Server (NTRS)

Hays, Charles C. (Inventor)

2013-01-01

A superconducting metallic glass transition-edge sensor (MGTES) and a method for fabricating the MGTES are provided. A single-layer superconducting amorphous metal alloy is deposited on a substrate. The single-layer superconducting amorphous metal alloy is an absorber for the MGTES and is electrically connected to a circuit configured for readout and biasing to sense electromagnetic radiation.

Behavioural and Physiological Responses of Gammarus pulex Exposed to Cadmium and Arsenate at Three Temperatures: Individual and Combined Effects

PubMed Central

Vellinger, Céline; Felten, Vincent; Sornom, Pascal; Rousselle, Philippe; Beisel, Jean-Nicolas; Usseglio-Polatera, Philippe

2012-01-01

This study aimed at investigating both the individual and combined effects of cadmium (Cd) and arsenate (AsV) on the physiology and behaviour of the Crustacean Gammarus pulex at three temperatures (5, 10 and15°C). G. pulex was exposed during 96 h to (i) two [Cd] alone, (ii) two [AsV] alone, and (iii) four combinations of [Cd] and [AsV] to obtain a complete factorial plane. After exposure, survival, [AsV] or [Cd] in body tissues, behavioural (ventilatory and locomotor activities) and physiological responses (iono-regulation of [Na+] and [Cl−] in haemolymph) were examined. The interactive effects (antagonistic, additive or synergistic) of binary mixtures were evaluated for each tested temperature using a predictive model for the theoretically expected interactive effect of chemicals. In single metal exposure, both the internal metal concentration in body tissues and the mortality rate increased along metallic gradient concentration. Cd alone significantly impaired both [Na+] and [Cl−] while AsV alone had a weak impact only on [Cl−]. The behavioural responses of G. pulex declined with increasing metal concentration suggesting a reallocation of energy from behavioural responses to maintenance functions. The interaction between AsV and Cd was considered as ‘additive’ for all the tested binary mixtures and temperatures (except for the lowest combination at 10°C considered as “antagonistic”). In binary mixtures, the decrease in both ventilatory and locomotor activities and the decline in haemolymphatic [Cl−] were amplified when respectively compared to those observed with the same concentrations of AsV or Cd alone. However, the presence of AsV decreased the haemolymphatic [Na+] loss when G. pulex was exposed to the lowest Cd concentration. Finally, the observed physiological and behavioural effects (except ventilation) in G. pulex exposed to AsV and/or Cd were exacerbated under the highest temperature. The discussion encompasses both the toxicity mechanisms of these metals and their interaction with rising temperature. PMID:22761731

Effect of metal in M 3(btc) 2 and M 2(dobdc) MOFs for O 2/N 2 separations: A combined density functional theory and experimental study

DOE PAGES

Parkes, Marie V.; Sava Gallis, Dorina F.; Greathouse, Jeffery A.; ...

2015-03-02

Computational screening of metal-organic framework (MOF) materials for selective oxygen adsorption from air could lead to new sorbents for the oxyfuel combustion process feedstock streams. A comprehensive study on the effect of MOF metal chemistry on gas binding energies in two common but structurally disparate metal-organic frameworks has been undertaken. Dispersion-corrected density functional theory methods were used to calculate the oxygen and nitrogen binding energies with each of fourteen metals, respectively, substituted into two MOF series, M 2(dobdc) and M 3(btc) 2. The accuracy of DFT methods was validated by comparing trends in binding energy with experimental gas sorption measurements.more » A periodic trend in oxygen binding energies was found, with greater oxygen binding energies for early transition-metal-substituted MOFs compared to late transition metal MOFs; this was independent of MOF structural type. The larger binding energies were associated with oxygen binding in a side-on configuration to the metal, with concomitant lengthening of the O-O bond. In contrast, nitrogen binding energies were similar across the transition metal series, regardless of both MOF structural type and metal identity. Altogether, these findings suggest that early transition metal MOFs are best suited to separating oxygen from nitrogen, and that the MOF structural type is less important than the metal identity.« less

The rapid size- and shape-controlled continuous hydrothermal synthesis of metal sulphide nanomaterials

NASA Astrophysics Data System (ADS)

Dunne, Peter W.; Starkey, Chris L.; Gimeno-Fabra, Miquel; Lester, Edward H.

2014-01-01

Continuous flow hydrothermal synthesis offers a cheap, green and highly scalable route for the preparation of inorganic nanomaterials which has predominantly been applied to metal oxide based materials. In this work we report the first continuous flow hydrothermal synthesis of metal sulphide nanomaterials. A wide range of binary metal sulphides, ZnS, CdS, PbS, CuS, Fe(1-x)S and Bi2S3, have been synthesised. By varying the reaction conditions two different mechanisms may be invoked; a growth dominated route which permits the formation of nanostructured sulphide materials, and a nucleation driven process which produces nanoparticles with temperature dependent size control. This offers a new and industrially viable route to a wide range of metal sulphide nanoparticles with facile size and shape control.Continuous flow hydrothermal synthesis offers a cheap, green and highly scalable route for the preparation of inorganic nanomaterials which has predominantly been applied to metal oxide based materials. In this work we report the first continuous flow hydrothermal synthesis of metal sulphide nanomaterials. A wide range of binary metal sulphides, ZnS, CdS, PbS, CuS, Fe(1-x)S and Bi2S3, have been synthesised. By varying the reaction conditions two different mechanisms may be invoked; a growth dominated route which permits the formation of nanostructured sulphide materials, and a nucleation driven process which produces nanoparticles with temperature dependent size control. This offers a new and industrially viable route to a wide range of metal sulphide nanoparticles with facile size and shape control. Electronic supplementary information (ESI) available: Experimental details, refinement procedure, fluorescence spectra of ZnS samples. See DOI: 10.1039/c3nr05749f

Preparation of nanoporous metal foam from high nitrogen transition metal complexes

DOEpatents

Tappan, Bryce C.; Huynh, My Hang V.; Hiskey, Michael A.; Son, Steven F.; Oschwald, David M.; Chavez, David E.; Naud, Darren L.

2006-11-28

Nanoporous metal foams are prepared by ignition of high nitrogen transition metal complexes. The ammonium salts of iron(III) tris[bi(tetrazolato)-amine], cobalt(III) tris(bi(tetrazolato)amine), and high nitrogen compounds of copper and silver were prepared as loose powders, pressed into pellets and wafers, and ignited under an inert atmosphere to form nanoporous metal foam monoliths having very high surface area and very low density.

The Spectrum analysis of three chromospherically active binary stars.

NASA Astrophysics Data System (ADS)

Gu, Shenghong; Tan, Huisong; Liu, Yuefu

1999-12-01

The authors present the research results on new CCD spectroscopic observations of three chromospherically active binary stars (BY Dra class), which were obtained by means of Coudé echelle spectrograph fed by the 2.16 m telescope at Beijing Astronomical Observatory. With the aid of stellar model atmosphere, the autors have analyzed these spectra and derived the average metal abundance and Li abundance of three systems. Using two special spectral lines, they have alsop discussed the chromospheric activity indicators of them.

Multiplicity of the Galactic Senior Citizens: A high-resolution search for cool subdwarf companions

NASA Astrophysics Data System (ADS)

Ziegler, Carl; Law, Nicholas M.

2015-01-01

Cool subdwarfs, with spectral types late K and M, are the oldest members of the low-mass stellar population. Mostly present in the galactic halo, subdwarfs are characterized by their low metallicity and high proper-motions. Understanding their binary fraction could give key insights into the star formation process early in the Milky Way's history. However, because of their low luminosity and relative rarity in the solar neighborhood, binary surveys of cool subdwarfs have suffered from small sample sizes and large incompleteness gaps. It appears, however, that the binary fraction of red subdwarfs is much lower than for their main-sequence cousins. Using the highly efficient Robo-AO system, we present the largest high-resolution survey of subdwarfs yet. We find from 349 target cool subdwarfs, 39 are in multiple systems, 13 newly discovered, for a binary fraction of 11 ± 1.8%.